*HEADER   DNA-BINDING PROTEIN                     14-JUL-97   1AOY    
*TITLE    N-TERMINAL DOMAIN OF ESCHERICHIA COLI ARGININE REPRESSOR    
*TITLE   2 NMR, 23 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: ARGININE REPRESSOR;                              
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: N-TERMINAL;                                      
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  3 STRAIN: K12;                                               
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: X90 (DE3) AND BL21 (DE3) ARG-;   
*SOURCE  6 EXPRESSION_SYSTEM_VARIANT: T7;                             
*SOURCE  7 EXPRESSION_SYSTEM_VECTOR_TYPE: PET;                        
*SOURCE  8 EXPRESSION_SYSTEM_VECTOR: PET3A                            
*KEYWDS   DNA-BINDING PROTEIN, EXPRESSION REGULATION, DNA             
*KEYWDS  2 ORGANIZATION, WINGED HELIX                                 
*EXPDTA   NMR, 23 STRUCTURES                                          
*AUTHOR   M.SUNNERHAGEN,M.NILGES,G.OTTING                             
*REVDAT  1   17-SEP-97 1AOY    0                                      



REMARKS distance restraints from unambiguos NOEs
REMARKS used with AVERage SUM POTEntial SOFT OREXponent 6

 ASSI {   13}
   (( segid "    " and resid "8   " and name "HG2 "))
   (( segid "    " and resid "8   " and name "HN  "))
      2.600     0.800     0.800 peak    13 weight  0.10000E+01 volume  0.27790E+06 ppm1      2.387 ppm2      8.705
 OR {   13}
   (( segid "    " and resid "8   " and name "HG3 "))
   (( segid "    " and resid "8   " and name "HN  "))
 ASSI {   24}
   (( segid "    " and resid "2   " and name "HA  "))
   (( segid "    " and resid "2   " and name "HN  "))
      4.600     2.600     2.400 peak    24 weight  0.10000E+01 volume  0.84850E+04 ppm1      4.432 ppm2      8.848
 ASSI {   37}
   (( segid "    " and resid "2   " and name "HB2 "))
   (( segid "    " and resid "2   " and name "HE  "))
      6.000     6.000     1.000 peak    37 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.849 ppm2      7.240
 ASSI {   38}
   (( segid "    " and resid "2   " and name "HB3 "))
   (( segid "    " and resid "2   " and name "HN  "))
      3.800     1.800     1.800 peak    38 weight  0.10000E+01 volume  0.29440E+05 ppm1      1.760 ppm2      8.848
 ASSI {   45}
   (( segid "    " and resid "2   " and name "HG2 "))
   (( segid "    " and resid "2   " and name "HN  "))
      3.900     1.900     1.900 peak    45 weight  0.10000E+01 volume  0.23470E+05 ppm1      1.649 ppm2      8.848
 OR {   45}
   (( segid "    " and resid "2   " and name "HG3 "))
   (( segid "    " and resid "2   " and name "HN  "))
 ASSI {   58}
   (( segid "    " and resid "2   " and name "HD3 "))
   (( segid "    " and resid "2   " and name "HE  "))
      6.000     6.000     1.000 peak    58 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.159 ppm2      7.240
 OR {   58}
   (( segid "    " and resid "2   " and name "HD2 "))
   (( segid "    " and resid "2   " and name "HE  "))
 ASSI {   70}
   (( segid "    " and resid "3   " and name "HA  "))
   (( segid "    " and resid "3   " and name "HN  "))
      3.300     1.400     1.400 peak    70 weight  0.10000E+01 volume  0.67730E+05 ppm1      4.474 ppm2      8.674
 ASSI {   74}
   (( segid "    " and resid "3   " and name "HB2 "))
   (( segid "    " and resid "3   " and name "HN  "))
      3.100     1.200     1.200 peak    74 weight  0.10000E+01 volume  0.91380E+05 ppm1      3.920 ppm2      8.674
 ASSI {  123}
   (( segid "    " and resid "6   " and name "HB2 "))
   (( segid "    " and resid "6   " and name "HN  "))
      2.800     1.000     1.000 peak   123 weight  0.10000E+01 volume  0.15610E+06 ppm1      2.021 ppm2      8.359
 ASSI {  131}
   (( segid "    " and resid "6   " and name "HB3 "))
   (( segid "    " and resid "6   " and name "HN  "))
      2.400     0.700     0.700 peak   131 weight  0.10000E+01 volume  0.40800E+06 ppm1      1.869 ppm2      8.359
 ASSI {  139}
   (( segid "    " and resid "6   " and name "HG2 "))
   (( segid "    " and resid "6   " and name "HN  "))
      3.000     1.100     1.100 peak   139 weight  0.10000E+01 volume  0.11550E+06 ppm1      1.586 ppm2      8.359
 ASSI {  178}
   (( segid "    " and resid "7   " and name "HA  "))
   (( segid "    " and resid "7   " and name "HN  "))
      2.600     0.800     0.800 peak   178 weight  0.10000E+01 volume  0.29830E+06 ppm1      4.132 ppm2      8.518
 ASSI {  184}
   (( segid "    " and resid "7   " and name "HA  "))
   (( segid "    " and resid "7   " and name "HE22"))
      3.400     1.400     1.400 peak   184 weight  0.10000E+01 volume  0.53900E+05 ppm1      4.132 ppm2      6.825
 ASSI {  192}
   (( segid "    " and resid "7   " and name "HB3 "))
   (( segid "    " and resid "7   " and name "HN  "))
      6.000     6.000     1.000 peak   192 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.110 ppm2      8.518
 ASSI {  198}
   (( segid "    " and resid "7   " and name "HB3 "))
   (( segid "    " and resid "7   " and name "HE22"))
      5.000     3.100     2.000 peak   198 weight  0.10000E+01 volume  0.50920E+04 ppm1      2.110 ppm2      6.825
 ASSI {  199}
   (( segid "    " and resid "7   " and name "HG2 "))
   (( segid "    " and resid "7   " and name "HN  "))
      3.000     1.100     1.100 peak   199 weight  0.10000E+01 volume  0.11860E+06 ppm1      2.472 ppm2      8.518
 OR {  199}
   (( segid "    " and resid "7   " and name "HG3 "))
   (( segid "    " and resid "7   " and name "HN  "))
 ASSI {  204}
   (( segid "    " and resid "7   " and name "HG2 "))
   (( segid "    " and resid "7   " and name "HE21"))
      2.800     1.000     1.000 peak   204 weight  0.10000E+01 volume  0.17770E+06 ppm1      2.472 ppm2      7.514
 OR {  204}
   (( segid "    " and resid "7   " and name "HG3 "))
   (( segid "    " and resid "7   " and name "HE21"))
 ASSI {  205}
   (( segid "    " and resid "7   " and name "HG2 "))
   (( segid "    " and resid "7   " and name "HE22"))
      3.600     1.600     1.600 peak   205 weight  0.10000E+01 volume  0.39580E+05 ppm1      2.472 ppm2      6.825
 OR {  205}
   (( segid "    " and resid "7   " and name "HG3 "))
   (( segid "    " and resid "7   " and name "HE22"))
 ASSI {  206}
   (( segid "    " and resid "7   " and name "HE21"))
   (( segid "    " and resid "7   " and name "HN  "))
      5.200     3.400     1.800 peak   206 weight  0.10000E+01 volume  0.44330E+04 ppm1      7.514 ppm2      8.518
 ASSI {  213}
   (( segid "    " and resid "7   " and name "HE22"))
   (( segid "    " and resid "7   " and name "HN  "))
      4.600     2.600     2.400 peak   213 weight  0.10000E+01 volume  0.82990E+04 ppm1      6.825 ppm2      8.518
 ASSI {  218}
   (( segid "    " and resid "7   " and name "HE22"))
   (( segid "    " and resid "7   " and name "HE21"))
      1.800     0.400     0.400 peak   218 weight  0.10000E+01 volume  0.22950E+07 ppm1      6.825 ppm2      7.514
 ASSI {  224}
   (( segid "    " and resid "1   " and name "HA  "))
   (( segid "    " and resid "2   " and name "HN  "))
      6.000     6.000     1.000 peak   224 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.149 ppm2      8.834
 ASSI {  241}
   (( segid "    " and resid "9   " and name "HA  "))
   (( segid "    " and resid "9   " and name "HN  "))
      2.600     0.800     0.800 peak   241 weight  0.10000E+01 volume  0.29670E+06 ppm1      4.198 ppm2      8.246
 ASSI {  256}
   (( segid "    " and resid "9   " and name "HG3 "))
   (( segid "    " and resid "9   " and name "HN  "))
      6.000     6.000     1.000 peak   256 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.522 ppm2      8.246
 OR {  256}
   (( segid "    " and resid "9   " and name "HG2 "))
   (( segid "    " and resid "9   " and name "HN  "))
 ASSI {  268}
   (( segid "    " and resid "10  " and name "HA  "))
   (( segid "    " and resid "10  " and name "HN  "))
      2.500     0.800     0.800 peak   268 weight  0.10000E+01 volume  0.33640E+06 ppm1      3.301 ppm2      7.925
 ASSI {  303}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "10  " and name "HN  "))
      3.600     1.600     1.600 peak   303 weight  0.10000E+01 volume  0.36680E+05 ppm1      0.263 ppm2      7.925
 ASSI {  315}
   (( segid "    " and resid "11  " and name "HA  "))
   (( segid "    " and resid "11  " and name "HN  "))
      2.500     0.800     0.800 peak   315 weight  0.10000E+01 volume  0.32150E+06 ppm1      3.353 ppm2      7.993
 ASSI {  325}
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
   (( segid "    " and resid "11  " and name "HN  "))
      2.200     0.600     0.600 peak   325 weight  0.10000E+01 volume  0.73570E+06 ppm1      1.103 ppm2      7.993
 ASSI {  330}
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
   (( segid "    " and resid "11  " and name "HN  "))
      3.100     1.200     1.200 peak   330 weight  0.10000E+01 volume  0.91970E+05 ppm1      0.864 ppm2      7.993
 ASSI {  351}
   (( segid "    " and resid "12  " and name "HB3 "))
   (( segid "    " and resid "12  " and name "HN  "))
      2.100     0.600     0.600 peak   351 weight  0.10000E+01 volume  0.93870E+06 ppm1      1.922 ppm2      7.745
 OR {  351}
   (( segid "    " and resid "12  " and name "HB2 "))
   (( segid "    " and resid "12  " and name "HN  "))
 ASSI {  359}
   (( segid "    " and resid "12  " and name "HG2 "))
   (( segid "    " and resid "12  " and name "HN  "))
      6.000     6.000     1.000 peak   359 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.538 ppm2      7.745
 ASSI {  375}
   (( segid "    " and resid "12  " and name "HD2 "))
   (( segid "    " and resid "12  " and name "HN  "))
      3.400     1.400     1.400 peak   375 weight  0.10000E+01 volume  0.58180E+05 ppm1      1.737 ppm2      7.745
 ASSI {  383}
   (( segid "    " and resid "12  " and name "HD3 "))
   (( segid "    " and resid "12  " and name "HN  "))
      2.900     1.100     1.100 peak   383 weight  0.10000E+01 volume  0.15050E+06 ppm1      1.604 ppm2      7.745
 ASSI {  402}
   (( segid "    " and resid "13  " and name "HA  "))
   (( segid "    " and resid "13  " and name "HN  "))
      2.400     0.700     0.700 peak   402 weight  0.10000E+01 volume  0.42960E+06 ppm1      4.200 ppm2      8.167
 ASSI {  405}
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
   (( segid "    " and resid "13  " and name "HN  "))
      2.100     0.600     0.600 peak   405 weight  0.10000E+01 volume  0.85400E+06 ppm1      1.507 ppm2      8.167
 ASSI {  415}
   (( segid "    " and resid "14  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HN  "))
      2.500     0.800     0.800 peak   415 weight  0.10000E+01 volume  0.36950E+06 ppm1      3.855 ppm2      8.841
 ASSI {  419}
   (( segid "    " and resid "14  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      2.700     0.900     0.900 peak   419 weight  0.10000E+01 volume  0.22000E+06 ppm1      3.855 ppm2      6.793
 ASSI {  426}
   (( segid "    " and resid "14  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      2.400     0.700     0.700 peak   426 weight  0.10000E+01 volume  0.39920E+06 ppm1      3.155 ppm2      6.793
 ASSI {  429}
   (( segid "    " and resid "14  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HN  "))
      2.200     0.600     0.600 peak   429 weight  0.10000E+01 volume  0.64440E+06 ppm1      2.878 ppm2      8.841
 ASSI {  433}
   (( segid "    " and resid "14  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      2.500     0.800     0.800 peak   433 weight  0.10000E+01 volume  0.34160E+06 ppm1      2.878 ppm2      6.793
 ASSI {  434}
   (( segid "    " and resid "53  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      2.800     1.000     1.000 peak   434 weight  0.10000E+01 volume  0.17490E+06 ppm1      2.878 ppm2      7.017
 ASSI {  436}
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
   (( segid "    " and resid "14  " and name "HN  "))
      3.400     1.400     1.400 peak   436 weight  0.10000E+01 volume  0.51050E+05 ppm1      6.793 ppm2      8.841
 ASSI {  442}
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
   (( segid "    " and resid "14  " and name "HZ  "))
      6.000     6.000     1.000 peak   442 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.793 ppm2      6.962
 ASSI {  455}
   (( segid "    " and resid "14  " and name "HZ  "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      6.000     6.000     1.000 peak   455 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.962 ppm2      7.017
 ASSI {  465}
   (( segid "    " and resid "15  " and name "HA  "))
   (( segid "    " and resid "15  " and name "HN  "))
      2.600     0.800     0.800 peak   465 weight  0.10000E+01 volume  0.29980E+06 ppm1      3.438 ppm2      8.554
 ASSI {  489}
   (( segid "    " and resid "15  " and name "HG2 "))
   (( segid "    " and resid "15  " and name "HN  "))
      3.400     1.400     1.400 peak   489 weight  0.10000E+01 volume  0.53610E+05 ppm1      0.928 ppm2      8.554
 ASSI {  497}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "15  " and name "HN  "))
      2.300     0.700     0.700 peak   497 weight  0.10000E+01 volume  0.51760E+06 ppm1      1.549 ppm2      8.554
 OR {  497}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "15  " and name "HN  "))
 ASSI {  513}
   (( segid "    " and resid "15  " and name "HE3 "))
   (( segid "    " and resid "15  " and name "HN  "))
      3.800     1.800     1.800 peak   513 weight  0.10000E+01 volume  0.27230E+05 ppm1      2.423 ppm2      8.554
 ASSI {  527}
   (( segid "    " and resid "16  " and name "HB2 ")
     OR 
    ( segid "    " and resid "16  " and name "HB3 ")
     OR 
    ( segid "    " and resid "16  " and name "HB1 "))
   (( segid "    " and resid "16  " and name "HN  "))
      6.000     6.000     1.000 peak   527 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.531 ppm2      7.775
 ASSI {  537}
   (( segid "    " and resid "17  " and name "HA  "))
   (( segid "    " and resid "17  " and name "HN  "))
      2.600     0.800     0.800 peak   537 weight  0.10000E+01 volume  0.27880E+06 ppm1      4.276 ppm2      7.673
 ASSI {  551}
   (( segid "    " and resid "17  " and name "HB3 "))
   (( segid "    " and resid "17  " and name "HN  "))
      2.900     1.100     1.100 peak   551 weight  0.10000E+01 volume  0.13260E+06 ppm1      1.201 ppm2      7.673
 ASSI {  558}
   (( segid "    " and resid "17  " and name "HG  "))
   (( segid "    " and resid "17  " and name "HN  "))
      2.200     0.600     0.600 peak   558 weight  0.10000E+01 volume  0.66340E+06 ppm1      2.034 ppm2      7.673
 ASSI {  586}
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "18  " and name "HN  "))
      2.700     0.900     0.900 peak   586 weight  0.10000E+01 volume  0.20890E+06 ppm1      3.994 ppm2      7.529
 ASSI {  607}
   (( segid "    " and resid "18  " and name "HG  "))
   (( segid "    " and resid "18  " and name "HN  "))
      2.300     0.700     0.700 peak   607 weight  0.10000E+01 volume  0.49970E+06 ppm1      1.285 ppm2      7.529
 ASSI {  614}
   (( segid "    " and resid "18  " and name "HB2 "))
   (( segid "    " and resid "18  " and name "HN  "))
      6.000     6.000     1.000 peak   614 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      7.529
 ASSI {  636}
   (( segid "    " and resid "19  " and name "HA  "))
   (( segid "    " and resid "19  " and name "HN  "))
      2.500     0.800     0.800 peak   636 weight  0.10000E+01 volume  0.38390E+06 ppm1      4.277 ppm2      8.222
 ASSI {  652}
   (( segid "    " and resid "19  " and name "HB3 "))
   (( segid "    " and resid "19  " and name "HN  "))
      2.200     0.600     0.600 peak   652 weight  0.10000E+01 volume  0.67090E+06 ppm1      1.936 ppm2      8.222
 ASSI {  697}
   (( segid "    " and resid "20  " and name "HA  "))
   (( segid "    " and resid "20  " and name "HN  "))
      2.500     0.800     0.800 peak   697 weight  0.10000E+01 volume  0.31990E+06 ppm1      4.090 ppm2      7.422
 ASSI {  702}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "20  " and name "HN  "))
      6.000     6.000     1.000 peak   702 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.354 ppm2      7.422
 ASSI {  712}
   (( segid "    " and resid "20  " and name "HG2 "))
   (( segid "    " and resid "20  " and name "HN  "))
      2.500     0.800     0.800 peak   712 weight  0.10000E+01 volume  0.35120E+06 ppm1      2.812 ppm2      7.422
 OR {  712}
   (( segid "    " and resid "20  " and name "HG3 "))
   (( segid "    " and resid "20  " and name "HN  "))
 ASSI {  747}
   (( segid "    " and resid "21  " and name "HG3 "))
   (( segid "    " and resid "21  " and name "HN  "))
      6.000     6.000     1.000 peak   747 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.322 ppm2      7.920
 ASSI {  761}
   (( segid "    " and resid "22  " and name "HA  "))
   (( segid "    " and resid "22  " and name "HN  "))
      2.700     0.900     0.900 peak   761 weight  0.10000E+01 volume  0.21110E+06 ppm1      4.519 ppm2      7.924
 ASSI {  831}
   (( segid "    " and resid "23  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HN  "))
      2.500     0.800     0.800 peak   831 weight  0.10000E+01 volume  0.30560E+06 ppm1      3.054 ppm2      8.320
 ASSI {  838}
   (( segid "    " and resid "23  " and name "HB3 "))
   (( segid "    " and resid "23  " and name "HN  "))
      3.900     1.900     1.900 peak   838 weight  0.10000E+01 volume  0.25320E+05 ppm1      2.386 ppm2      8.320
 ASSI {  845}
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
   (( segid "    " and resid "23  " and name "HN  "))
      2.700     0.900     0.900 peak   845 weight  0.10000E+01 volume  0.23900E+06 ppm1      7.275 ppm2      8.320
 ASSI {  851}
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
   (( segid "    " and resid "23  " and name "HZ  "))
      6.000     6.000     1.000 peak   851 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.275 ppm2      7.357
 ASSI {  864}
   (( segid "    " and resid "23  " and name "HZ  "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      6.000     6.000     1.000 peak   864 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.357 ppm2      7.422
 ASSI {  870}
   (( segid "    " and resid "24  " and name "HA  "))
   (( segid "    " and resid "24  " and name "HN  "))
      6.000     6.000     1.000 peak   870 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.794 ppm2      9.548
 ASSI {  874}
   (( segid "    " and resid "24  " and name "HB2 "))
   (( segid "    " and resid "24  " and name "HN  "))
      3.000     1.100     1.100 peak   874 weight  0.10000E+01 volume  0.10720E+06 ppm1      4.071 ppm2      9.548
 ASSI {  878}
   (( segid "    " and resid "24  " and name "HB3 "))
   (( segid "    " and resid "24  " and name "HN  "))
      3.000     1.100     1.100 peak   878 weight  0.10000E+01 volume  0.11090E+06 ppm1      3.941 ppm2      9.548
 ASSI {  886}
   (( segid "    " and resid "25  " and name "HA  "))
   (( segid "    " and resid "25  " and name "HN  "))
      2.900     1.100     1.100 peak   886 weight  0.10000E+01 volume  0.15450E+06 ppm1      5.287 ppm2      7.993
 ASSI {  894}
   (( segid "    " and resid "25  " and name "HB3 "))
   (( segid "    " and resid "25  " and name "HN  "))
      6.000     6.000     1.000 peak   894 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.986 ppm2      7.993
 ASSI {  913}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "26  " and name "HN  "))
      2.900     1.100     1.100 peak   913 weight  0.10000E+01 volume  0.12930E+06 ppm1      1.933 ppm2      9.628
 ASSI {  918}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "26  " and name "HN  "))
      2.700     0.900     0.900 peak   918 weight  0.10000E+01 volume  0.21830E+06 ppm1      3.802 ppm2      9.628
 ASSI {  926}
   (( segid "    " and resid "27  " and name "HA1 "))
   (( segid "    " and resid "27  " and name "HN  "))
      2.100     0.600     0.600 peak   926 weight  0.10000E+01 volume  0.84440E+06 ppm1      4.056 ppm2      9.068
 ASSI {  929}
   (( segid "    " and resid "27  " and name "HA2 "))
   (( segid "    " and resid "27  " and name "HN  "))
      2.400     0.700     0.700 peak   929 weight  0.10000E+01 volume  0.39730E+06 ppm1      3.714 ppm2      9.068
 ASSI {  947}
   (( segid "    " and resid "28  " and name "HB3 "))
   (( segid "    " and resid "28  " and name "HN  "))
      2.700     0.900     0.900 peak   947 weight  0.10000E+01 volume  0.21980E+06 ppm1      2.406 ppm2      7.779
 ASSI {  969}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "29  " and name "HN  "))
      6.000     6.000     1.000 peak   969 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.959 ppm2      7.260
 ASSI {  975}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "29  " and name "HN  "))
      2.600     0.800     0.800 peak   975 weight  0.10000E+01 volume  0.25990E+06 ppm1      0.519 ppm2      7.260
 ASSI { 1003}
   (( segid "    " and resid "30  " and name "HB  "))
   (( segid "    " and resid "30  " and name "HN  "))
      2.200     0.600     0.600 peak  1003 weight  0.10000E+01 volume  0.78060E+06 ppm1      2.221 ppm2      8.132
 ASSI { 1008}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "30  " and name "HN  "))
      2.200     0.600     0.600 peak  1008 weight  0.10000E+01 volume  0.70060E+06 ppm1      0.846 ppm2      8.132
 ASSI { 1024}
   (( segid "    " and resid "31  " and name "HB2 ")
     OR 
    ( segid "    " and resid "31  " and name "HB3 ")
     OR 
    ( segid "    " and resid "31  " and name "HB1 "))
   (( segid "    " and resid "31  " and name "HN  "))
      2.100     0.600     0.600 peak  1024 weight  0.10000E+01 volume  0.97920E+06 ppm1      1.496 ppm2      7.679
 ASSI { 1050}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "33  " and name "HN  "))
      2.900     1.100     1.100 peak  1050 weight  0.10000E+01 volume  0.13880E+06 ppm1      0.580 ppm2      8.135
 ASSI { 1057}
   (( segid "    " and resid "33  " and name "HG  "))
   (( segid "    " and resid "33  " and name "HN  "))
      2.300     0.700     0.700 peak  1057 weight  0.10000E+01 volume  0.59610E+06 ppm1      1.751 ppm2      8.135
 ASSI { 1071}
   (( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "33  " and name "HN  "))
      2.300     0.700     0.700 peak  1071 weight  0.10000E+01 volume  0.50910E+06 ppm1      2.023 ppm2      8.135
 ASSI { 1078}
   (( segid "    " and resid "33  " and name "HB3 "))
   (( segid "    " and resid "33  " and name "HN  "))
      2.800     1.000     1.000 peak  1078 weight  0.10000E+01 volume  0.18210E+06 ppm1      1.269 ppm2      8.135
 ASSI { 1099}
   (( segid "    " and resid "31  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HE21"))
      4.200     2.200     2.200 peak  1099 weight  0.10000E+01 volume  0.16260E+05 ppm1      4.141 ppm2      7.202
 ASSI { 1100}
   (( segid "    " and resid "31  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HE22"))
      3.000     1.100     1.100 peak  1100 weight  0.10000E+01 volume  0.11960E+06 ppm1      4.141 ppm2      6.731
 ASSI { 1101}
   (( segid "    " and resid "34  " and name "HB2 "))
   (( segid "    " and resid "34  " and name "HN  "))
      2.300     0.700     0.700 peak  1101 weight  0.10000E+01 volume  0.53010E+06 ppm1      2.331 ppm2      8.716
 ASSI { 1107}
   (( segid "    " and resid "34  " and name "HB2 "))
   (( segid "    " and resid "34  " and name "HE21"))
      4.000     2.000     2.000 peak  1107 weight  0.10000E+01 volume  0.20750E+05 ppm1      2.331 ppm2      7.202
 ASSI { 1116}
   (( segid "    " and resid "34  " and name "HB3 "))
   (( segid "    " and resid "34  " and name "HE22"))
      5.400     3.600     1.600 peak  1116 weight  0.10000E+01 volume  0.32180E+04 ppm1      2.041 ppm2      6.731
 ASSI { 1117}
   (( segid "    " and resid "34  " and name "HG2 "))
   (( segid "    " and resid "34  " and name "HN  "))
      2.300     0.700     0.700 peak  1117 weight  0.10000E+01 volume  0.49960E+06 ppm1      2.611 ppm2      8.716
 ASSI { 1123}
   (( segid "    " and resid "34  " and name "HG2 "))
   (( segid "    " and resid "34  " and name "HE21"))
      2.800     1.000     1.000 peak  1123 weight  0.10000E+01 volume  0.17240E+06 ppm1      2.611 ppm2      7.202
 ASSI { 1124}
   (( segid "    " and resid "34  " and name "HG2 "))
   (( segid "    " and resid "34  " and name "HE22"))
      3.400     1.400     1.400 peak  1124 weight  0.10000E+01 volume  0.55770E+05 ppm1      2.611 ppm2      6.731
 ASSI { 1131}
   (( segid "    " and resid "34  " and name "HG3 "))
   (( segid "    " and resid "34  " and name "HE21"))
      2.500     0.800     0.800 peak  1131 weight  0.10000E+01 volume  0.32260E+06 ppm1      2.495 ppm2      7.202
 ASSI { 1132}
   (( segid "    " and resid "34  " and name "HG3 "))
   (( segid "    " and resid "34  " and name "HE22"))
      3.200     1.300     1.300 peak  1132 weight  0.10000E+01 volume  0.81240E+05 ppm1      2.495 ppm2      6.731
 ASSI { 1133}
   (( segid "    " and resid "34  " and name "HE21"))
   (( segid "    " and resid "34  " and name "HN  "))
      4.800     2.900     2.200 peak  1133 weight  0.10000E+01 volume  0.67550E+04 ppm1      7.202 ppm2      8.716
 ASSI { 1147}
   (( segid "    " and resid "34  " and name "HE22"))
   (( segid "    " and resid "34  " and name "HE21"))
      1.700     0.400     0.500 peak  1147 weight  0.10000E+01 volume  0.29760E+07 ppm1      6.731 ppm2      7.202
 ASSI { 1173}
   (( segid "    " and resid "35  " and name "HG2 "))
   (( segid "    " and resid "35  " and name "HN  "))
      2.900     1.100     1.100 peak  1173 weight  0.10000E+01 volume  0.15280E+06 ppm1      2.494 ppm2      8.332
 ASSI { 1179}
   (( segid "    " and resid "35  " and name "HG3 "))
   (( segid "    " and resid "35  " and name "HN  "))
      3.300     1.400     1.400 peak  1179 weight  0.10000E+01 volume  0.69410E+05 ppm1      2.431 ppm2      8.332
 ASSI { 1190}
   (( segid "    " and resid "36  " and name "HA  "))
   (( segid "    " and resid "36  " and name "HN  "))
      2.500     0.800     0.800 peak  1190 weight  0.10000E+01 volume  0.30440E+06 ppm1      4.283 ppm2      7.384
 ASSI { 1205}
   (( segid "    " and resid "36  " and name "HG2 "))
   (( segid "    " and resid "36  " and name "HN  "))
      2.500     0.800     0.800 peak  1205 weight  0.10000E+01 volume  0.31920E+06 ppm1      2.800 ppm2      7.384
 ASSI { 1216}
   (( segid "    " and resid "37  " and name "HA2 "))
   (( segid "    " and resid "37  " and name "HN  "))
      2.200     0.600     0.600 peak  1216 weight  0.10000E+01 volume  0.76240E+06 ppm1      3.631 ppm2      7.737
 ASSI { 1226}
   (( segid "    " and resid "38  " and name "HA  "))
   (( segid "    " and resid "38  " and name "HN  "))
      2.600     0.800     0.800 peak  1226 weight  0.10000E+01 volume  0.24460E+06 ppm1      4.545 ppm2      7.639
 ASSI { 1230}
   (( segid "    " and resid "38  " and name "HA  "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      2.300     0.700     0.700 peak  1230 weight  0.10000E+01 volume  0.52780E+06 ppm1      4.545 ppm2      7.456
 ASSI { 1231}
   (( segid "    " and resid "38  " and name "HA  "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      3.900     1.900     1.900 peak  1231 weight  0.10000E+01 volume  0.24840E+05 ppm1      4.545 ppm2      7.255
 ASSI { 1233}
   (( segid "    " and resid "38  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HN  "))
      2.900     1.100     1.100 peak  1233 weight  0.10000E+01 volume  0.13790E+06 ppm1      3.007 ppm2      7.639
 ASSI { 1237}
   (( segid "    " and resid "38  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      2.200     0.600     0.600 peak  1237 weight  0.10000E+01 volume  0.67110E+06 ppm1      3.007 ppm2      7.456
 ASSI { 1240}
   (( segid "    " and resid "38  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HN  "))
      2.400     0.700     0.700 peak  1240 weight  0.10000E+01 volume  0.41280E+06 ppm1      2.581 ppm2      7.639
 ASSI { 1244}
   (( segid "    " and resid "38  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      2.200     0.600     0.600 peak  1244 weight  0.10000E+01 volume  0.67630E+06 ppm1      2.581 ppm2      7.456
 ASSI { 1247}
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
   (( segid "    " and resid "38  " and name "HN  "))
      2.200     0.600     0.600 peak  1247 weight  0.10000E+01 volume  0.75400E+06 ppm1      7.456 ppm2      7.639
 ASSI { 1254}
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
   (( segid "    " and resid "38  " and name "HN  "))
      3.700     1.700     1.700 peak  1254 weight  0.10000E+01 volume  0.31680E+05 ppm1      7.255 ppm2      7.639
 ASSI { 1258}
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      1.900     0.500     0.500 peak  1258 weight  0.10000E+01 volume  0.19030E+07 ppm1      7.255 ppm2      7.456
 ASSI { 1265}
   (( segid "    " and resid "38  " and name "HZ  "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      2.900     1.100     1.100 peak  1265 weight  0.10000E+01 volume  0.15430E+06 ppm1      7.069 ppm2      7.456
 ASSI { 1272}
   (( segid "    " and resid "39  " and name "HA  "))
   (( segid "    " and resid "39  " and name "HN  "))
      2.500     0.800     0.800 peak  1272 weight  0.10000E+01 volume  0.31720E+06 ppm1      4.606 ppm2      8.299
 ASSI { 1280}
   (( segid "    " and resid "39  " and name "HB3 "))
   (( segid "    " and resid "39  " and name "HN  "))
      6.000     6.000     1.000 peak  1280 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.647 ppm2      8.299
 ASSI { 1290}
   (( segid "    " and resid "40  " and name "HA  "))
   (( segid "    " and resid "40  " and name "HN  "))
      2.200     0.600     0.600 peak  1290 weight  0.10000E+01 volume  0.67580E+06 ppm1      4.550 ppm2      8.778
 ASSI { 1294}
   (( segid "    " and resid "40  " and name "HA  "))
   (( segid "    " and resid "40  " and name "HD21"))
      3.400     1.400     1.400 peak  1294 weight  0.10000E+01 volume  0.57570E+05 ppm1      4.550 ppm2      7.670
 ASSI { 1295}
   (( segid "    " and resid "40  " and name "HA  "))
   (( segid "    " and resid "40  " and name "HD22"))
      4.200     2.200     2.200 peak  1295 weight  0.10000E+01 volume  0.14730E+05 ppm1      4.550 ppm2      6.860
 ASSI { 1296}
   (( segid "    " and resid "40  " and name "HB2 "))
   (( segid "    " and resid "40  " and name "HN  "))
      2.900     1.100     1.100 peak  1296 weight  0.10000E+01 volume  0.15090E+06 ppm1      2.868 ppm2      8.778
 ASSI { 1300}
   (( segid "    " and resid "40  " and name "HB2 "))
   (( segid "    " and resid "40  " and name "HD21"))
      3.100     1.200     1.200 peak  1300 weight  0.10000E+01 volume  0.10000E+06 ppm1      2.868 ppm2      7.670
 ASSI { 1301}
   (( segid "    " and resid "40  " and name "HB2 "))
   (( segid "    " and resid "40  " and name "HD22"))
      3.600     1.600     1.600 peak  1301 weight  0.10000E+01 volume  0.37200E+05 ppm1      2.868 ppm2      6.860
 ASSI { 1306}
   (( segid "    " and resid "40  " and name "HB3 "))
   (( segid "    " and resid "40  " and name "HD21"))
      2.800     1.000     1.000 peak  1306 weight  0.10000E+01 volume  0.18490E+06 ppm1      2.820 ppm2      7.670
 ASSI { 1307}
   (( segid "    " and resid "40  " and name "HB3 "))
   (( segid "    " and resid "40  " and name "HD22"))
      3.200     1.300     1.300 peak  1307 weight  0.10000E+01 volume  0.79320E+05 ppm1      2.820 ppm2      6.860
 ASSI { 1308}
   (( segid "    " and resid "40  " and name "HD21"))
   (( segid "    " and resid "40  " and name "HN  "))
      3.900     1.900     1.900 peak  1308 weight  0.10000E+01 volume  0.25170E+05 ppm1      7.670 ppm2      8.778
 ASSI { 1318}
   (( segid "    " and resid "40  " and name "HD22"))
   (( segid "    " and resid "40  " and name "HD21"))
      1.800     0.400     0.400 peak  1318 weight  0.10000E+01 volume  0.23920E+07 ppm1      6.860 ppm2      7.670
 ASSI { 1327}
   (( segid "    " and resid "41  " and name "HA  "))
   (( segid "    " and resid "41  " and name "HN  "))
      2.600     0.800     0.800 peak  1327 weight  0.10000E+01 volume  0.25210E+06 ppm1      4.143 ppm2      8.108
 ASSI { 1341}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "41  " and name "HN  "))
      6.000     6.000     1.000 peak  1341 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.926 ppm2      8.108
 ASSI { 1355}
   (( segid "    " and resid "41  " and name "HG13"))
   (( segid "    " and resid "41  " and name "HN  "))
      3.400     1.400     1.400 peak  1355 weight  0.10000E+01 volume  0.56260E+05 ppm1      1.164 ppm2      8.108
 ASSI { 1362}
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
   (( segid "    " and resid "41  " and name "HN  "))
      3.300     1.400     1.400 peak  1362 weight  0.10000E+01 volume  0.65200E+05 ppm1      0.725 ppm2      8.108
 ASSI { 1373}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HD21"))
      3.800     1.800     1.800 peak  1373 weight  0.10000E+01 volume  0.26310E+05 ppm1      6.765 ppm2      7.615
 ASSI { 1374}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HD22"))
      6.000     6.000     1.000 peak  1374 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.765 ppm2      6.936
 ASSI { 1379}
   (( segid "    " and resid "42  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HD21"))
      3.400     1.400     1.400 peak  1379 weight  0.10000E+01 volume  0.49920E+05 ppm1      4.723 ppm2      7.615
 ASSI { 1381}
   (( segid "    " and resid "42  " and name "HB2 "))
   (( segid "    " and resid "42  " and name "HN  "))
      3.600     1.600     1.600 peak  1381 weight  0.10000E+01 volume  0.36490E+05 ppm1      3.219 ppm2      6.765
 ASSI { 1385}
   (( segid "    " and resid "42  " and name "HB2 "))
   (( segid "    " and resid "42  " and name "HD21"))
      2.900     1.100     1.100 peak  1385 weight  0.10000E+01 volume  0.12990E+06 ppm1      3.219 ppm2      7.615
 ASSI { 1386}
   (( segid "    " and resid "42  " and name "HB2 "))
   (( segid "    " and resid "42  " and name "HD22"))
      3.600     1.600     1.600 peak  1386 weight  0.10000E+01 volume  0.38900E+05 ppm1      3.219 ppm2      6.936
 ASSI { 1387}
   (( segid "    " and resid "42  " and name "HB3 "))
   (( segid "    " and resid "42  " and name "HN  "))
      3.200     1.300     1.300 peak  1387 weight  0.10000E+01 volume  0.81780E+05 ppm1      3.020 ppm2      6.765
 ASSI { 1391}
   (( segid "    " and resid "42  " and name "HB3 "))
   (( segid "    " and resid "42  " and name "HD21"))
      2.600     0.800     0.800 peak  1391 weight  0.10000E+01 volume  0.28910E+06 ppm1      3.020 ppm2      7.615
 ASSI { 1392}
   (( segid "    " and resid "42  " and name "HB3 "))
   (( segid "    " and resid "42  " and name "HD22"))
      3.100     1.200     1.200 peak  1392 weight  0.10000E+01 volume  0.85170E+05 ppm1      3.020 ppm2      6.936
 ASSI { 1403}
   (( segid "    " and resid "42  " and name "HD22"))
   (( segid "    " and resid "42  " and name "HD21"))
      6.000     6.000     1.000 peak  1403 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.936 ppm2      7.615
 ASSI { 1411}
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "43  " and name "HN  "))
      2.600     0.800     0.800 peak  1411 weight  0.10000E+01 volume  0.28540E+06 ppm1      3.606 ppm2      9.105
 ASSI { 1417}
   (( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "43  " and name "HN  "))
      2.600     0.800     0.800 peak  1417 weight  0.10000E+01 volume  0.24500E+06 ppm1      2.154 ppm2      9.105
 ASSI { 1423}
   (( segid "    " and resid "43  " and name "HB3 "))
   (( segid "    " and resid "43  " and name "HN  "))
      2.300     0.700     0.700 peak  1423 weight  0.10000E+01 volume  0.49730E+06 ppm1      2.080 ppm2      9.105
 ASSI { 1429}
   (( segid "    " and resid "43  " and name "HG2 "))
   (( segid "    " and resid "43  " and name "HN  "))
      3.300     1.400     1.400 peak  1429 weight  0.10000E+01 volume  0.70400E+05 ppm1      2.417 ppm2      9.105
 ASSI { 1449}
   (( segid "    " and resid "44  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HN  "))
      2.600     0.800     0.800 peak  1449 weight  0.10000E+01 volume  0.26810E+06 ppm1      3.921 ppm2      8.389
 ASSI { 1453}
   (( segid "    " and resid "44  " and name "HB3 "))
   (( segid "    " and resid "44  " and name "HN  "))
      2.500     0.800     0.800 peak  1453 weight  0.10000E+01 volume  0.30580E+06 ppm1      3.871 ppm2      8.389
 ASSI { 1473}
   (( segid "    " and resid "45  " and name "HB3 "))
   (( segid "    " and resid "45  " and name "HN  "))
      6.000     6.000     1.000 peak  1473 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.829 ppm2      8.213
 OR { 1473}
   (( segid "    " and resid "45  " and name "HB2 "))
   (( segid "    " and resid "45  " and name "HN  "))
 ASSI { 1481}
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "45  " and name "HN  "))
      6.000     6.000     1.000 peak  1481 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.591 ppm2      8.213
 ASSI { 1489}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "45  " and name "HN  "))
      3.800     1.800     1.800 peak  1489 weight  0.10000E+01 volume  0.26420E+05 ppm1      1.405 ppm2      8.213
 ASSI { 1526}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "46  " and name "HN  "))
      2.600     0.800     0.800 peak  1526 weight  0.10000E+01 volume  0.27860E+06 ppm1      3.429 ppm2      7.848
 ASSI { 1531}
   (( segid "    " and resid "46  " and name "HB  "))
   (( segid "    " and resid "46  " and name "HN  "))
      2.100     0.600     0.600 peak  1531 weight  0.10000E+01 volume  0.91250E+06 ppm1      2.068 ppm2      7.848
 ASSI { 1541}
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
   (( segid "    " and resid "46  " and name "HN  "))
      2.300     0.700     0.700 peak  1541 weight  0.10000E+01 volume  0.52160E+06 ppm1      0.903 ppm2      7.848
 ASSI { 1549}
   (( segid "    " and resid "47  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HN  "))
      6.000     6.000     1.000 peak  1549 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.823 ppm2      8.858
 ASSI { 1599}
   (( segid "    " and resid "48  " and name "HG2 "))
   (( segid "    " and resid "48  " and name "HE  "))
      4.800     2.900     2.200 peak  1599 weight  0.10000E+01 volume  0.69240E+04 ppm1      1.794 ppm2      7.188
 ASSI { 1600}
   (( segid "    " and resid "48  " and name "HG3 "))
   (( segid "    " and resid "48  " and name "HN  "))
      3.500     1.500     1.500 peak  1600 weight  0.10000E+01 volume  0.48110E+05 ppm1      1.658 ppm2      7.657
 ASSI { 1608}
   (( segid "    " and resid "48  " and name "HG3 "))
   (( segid "    " and resid "48  " and name "HE  "))
      5.200     3.400     1.800 peak  1608 weight  0.10000E+01 volume  0.43830E+04 ppm1      1.658 ppm2      7.188
 ASSI { 1609}
   (( segid "    " and resid "48  " and name "HD2 "))
   (( segid "    " and resid "48  " and name "HN  "))
      3.900     1.900     1.900 peak  1609 weight  0.10000E+01 volume  0.22060E+05 ppm1      3.203 ppm2      7.657
 ASSI { 1617}
   (( segid "    " and resid "48  " and name "HD2 "))
   (( segid "    " and resid "48  " and name "HE  "))
      3.300     1.400     1.400 peak  1617 weight  0.10000E+01 volume  0.61810E+05 ppm1      3.203 ppm2      7.188
 ASSI { 1626}
   (( segid "    " and resid "48  " and name "HD3 "))
   (( segid "    " and resid "48  " and name "HE  "))
      3.300     1.400     1.400 peak  1626 weight  0.10000E+01 volume  0.64540E+05 ppm1      3.168 ppm2      7.188
 ASSI { 1642}
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "49  " and name "HN  "))
      2.600     0.800     0.800 peak  1642 weight  0.10000E+01 volume  0.25360E+06 ppm1      3.799 ppm2      7.933
 ASSI { 1648}
   (( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "49  " and name "HN  "))
      2.500     0.800     0.800 peak  1648 weight  0.10000E+01 volume  0.33590E+06 ppm1      1.475 ppm2      7.933
 ASSI { 1654}
   (( segid "    " and resid "49  " and name "HB3 "))
   (( segid "    " and resid "49  " and name "HN  "))
      3.000     1.100     1.100 peak  1654 weight  0.10000E+01 volume  0.12590E+06 ppm1      1.057 ppm2      7.933
 ASSI { 1660}
   (( segid "    " and resid "49  " and name "HG2 "))
   (( segid "    " and resid "49  " and name "HN  "))
      2.400     0.700     0.700 peak  1660 weight  0.10000E+01 volume  0.46520E+06 ppm1      2.560 ppm2      7.933
 ASSI { 1678}
   (( segid "    " and resid "50  " and name "HA  "))
   (( segid "    " and resid "50  " and name "HN  "))
      2.600     0.800     0.800 peak  1678 weight  0.10000E+01 volume  0.28680E+06 ppm1      4.025 ppm2      8.704
 ASSI { 1690}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "50  " and name "HN  "))
      2.700     0.900     0.900 peak  1690 weight  0.10000E+01 volume  0.19570E+06 ppm1      1.421 ppm2      8.704
 ASSI { 1702}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "50  " and name "HN  "))
      2.600     0.800     0.800 peak  1702 weight  0.10000E+01 volume  0.24390E+06 ppm1      0.460 ppm2      8.704
 OR { 1702}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "50  " and name "HN  "))
 ASSI { 1764}
   (( segid "    " and resid "52  " and name "HG2 "))
   (( segid "    " and resid "52  " and name "HN  "))
      3.600     1.600     1.600 peak  1764 weight  0.10000E+01 volume  0.36530E+05 ppm1      1.010 ppm2      8.348
 ASSI { 1774}
   (( segid "    " and resid "52  " and name "HG3 "))
   (( segid "    " and resid "52  " and name "HN  "))
      4.300     2.300     2.300 peak  1774 weight  0.10000E+01 volume  0.12560E+05 ppm1      0.707 ppm2      8.348
 ASSI { 1794}
   (( segid "    " and resid "51  " and name "HG21")
     OR 
    ( segid "    " and resid "51  " and name "HG23")
     OR 
    ( segid "    " and resid "51  " and name "HG22"))
   (( segid "    " and resid "52  " and name "HN  "))
      3.200     1.300     1.300 peak  1794 weight  0.10000E+01 volume  0.79040E+05 ppm1      1.255 ppm2      8.348
 ASSI { 1831}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HN  "))
      2.700     0.900     0.900 peak  1831 weight  0.10000E+01 volume  0.23590E+06 ppm1      4.573 ppm2      8.039
 ASSI { 1835}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      2.500     0.800     0.800 peak  1835 weight  0.10000E+01 volume  0.32810E+06 ppm1      4.573 ppm2      7.516
 ASSI { 1838}
   (( segid "    " and resid "53  " and name "HB2 "))
   (( segid "    " and resid "53  " and name "HN  "))
      2.700     0.900     0.900 peak  1838 weight  0.10000E+01 volume  0.20340E+06 ppm1      3.474 ppm2      8.039
 ASSI { 1842}
   (( segid "    " and resid "53  " and name "HB2 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      2.800     1.000     1.000 peak  1842 weight  0.10000E+01 volume  0.16240E+06 ppm1      3.474 ppm2      7.516
 ASSI { 1843}
   (( segid "    " and resid "53  " and name "HB2 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      4.500     2.500     2.500 peak  1843 weight  0.10000E+01 volume  0.10290E+05 ppm1      3.474 ppm2      7.228
 ASSI { 1845}
   (( segid "    " and resid "53  " and name "HB3 "))
   (( segid "    " and resid "53  " and name "HN  "))
      2.300     0.700     0.700 peak  1845 weight  0.10000E+01 volume  0.57270E+06 ppm1      2.880 ppm2      8.039
 ASSI { 1849}
   (( segid "    " and resid "53  " and name "HB3 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      2.600     0.800     0.800 peak  1849 weight  0.10000E+01 volume  0.30090E+06 ppm1      2.880 ppm2      7.516
 ASSI { 1852}
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
   (( segid "    " and resid "53  " and name "HN  "))
      3.000     1.100     1.100 peak  1852 weight  0.10000E+01 volume  0.11980E+06 ppm1      7.516 ppm2      8.039
 ASSI { 1870}
   (( segid "    " and resid "53  " and name "HZ  "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      6.000     6.000     1.000 peak  1870 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.345 ppm2      7.516
 ASSI { 1911}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "56  " and name "HN  "))
      2.400     0.700     0.700 peak  1911 weight  0.10000E+01 volume  0.47200E+06 ppm1      0.766 ppm2      8.552
 ASSI { 1925}
   (( segid "    " and resid "57  " and name "HA  "))
   (( segid "    " and resid "57  " and name "HN  "))
      2.900     1.100     1.100 peak  1925 weight  0.10000E+01 volume  0.13490E+06 ppm1      5.089 ppm2      8.323
 ASSI { 1934}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "57  " and name "HN  "))
      6.000     6.000     1.000 peak  1934 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.378 ppm2      8.323
 ASSI { 1942}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "57  " and name "HE  "))
      3.800     1.800     1.800 peak  1942 weight  0.10000E+01 volume  0.29760E+05 ppm1      1.378 ppm2      6.884
 ASSI { 1943}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "57  " and name "HN  "))
      6.000     6.000     1.000 peak  1943 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.341 ppm2      8.323
 ASSI { 1951}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "57  " and name "HE  "))
      3.200     1.300     1.300 peak  1951 weight  0.10000E+01 volume  0.76310E+05 ppm1      1.341 ppm2      6.884
 ASSI { 1960}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "57  " and name "HE  "))
      3.300     1.400     1.400 peak  1960 weight  0.10000E+01 volume  0.59240E+05 ppm1      1.055 ppm2      6.884
 ASSI { 1961}
   (( segid "    " and resid "57  " and name "HG3 "))
   (( segid "    " and resid "57  " and name "HN  "))
      6.000     6.000     1.000 peak  1961 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.717 ppm2      8.323
 ASSI { 1969}
   (( segid "    " and resid "57  " and name "HG3 "))
   (( segid "    " and resid "57  " and name "HE  "))
      3.500     1.500     1.500 peak  1969 weight  0.10000E+01 volume  0.45450E+05 ppm1      0.717 ppm2      6.884
 ASSI { 1978}
   (( segid "    " and resid "57  " and name "HD2 "))
   (( segid "    " and resid "57  " and name "HE  "))
      3.100     1.200     1.200 peak  1978 weight  0.10000E+01 volume  0.10160E+06 ppm1      2.799 ppm2      6.884
 ASSI { 1987}
   (( segid "    " and resid "57  " and name "HD3 "))
   (( segid "    " and resid "57  " and name "HE  "))
      2.800     1.000     1.000 peak  1987 weight  0.10000E+01 volume  0.16670E+06 ppm1      2.686 ppm2      6.884
 ASSI { 2001}
   (( segid "    " and resid "58  " and name "HA  "))
   (( segid "    " and resid "58  " and name "HN  "))
      2.700     0.900     0.900 peak  2001 weight  0.10000E+01 volume  0.20430E+06 ppm1      4.498 ppm2      8.923
 ASSI { 2005}
   (( segid "    " and resid "58  " and name "HB  "))
   (( segid "    " and resid "58  " and name "HN  "))
      3.200     1.300     1.300 peak  2005 weight  0.10000E+01 volume  0.78290E+05 ppm1      3.954 ppm2      8.923
 ASSI { 2009}
   (( segid "    " and resid "58  " and name "HG21")
     OR 
    ( segid "    " and resid "58  " and name "HG23")
     OR 
    ( segid "    " and resid "58  " and name "HG22"))
   (( segid "    " and resid "58  " and name "HN  "))
      2.700     0.900     0.900 peak  2009 weight  0.10000E+01 volume  0.21750E+06 ppm1      1.013 ppm2      8.923
 ASSI { 2033}
   (( segid "    " and resid "59  " and name "HB2 "))
   (( segid "    " and resid "59  " and name "HE  "))
      4.000     2.000     2.000 peak  2033 weight  0.10000E+01 volume  0.19880E+05 ppm1      1.710 ppm2      7.261
 ASSI { 2034}
   (( segid "    " and resid "59  " and name "HB3 "))
   (( segid "    " and resid "59  " and name "HN  "))
      6.000     6.000     1.000 peak  2034 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.760 ppm2      7.986
 ASSI { 2040}
   (( segid "    " and resid "59  " and name "HB3 "))
   (( segid "    " and resid "59  " and name "HE  "))
      4.000     2.000     2.000 peak  2040 weight  0.10000E+01 volume  0.19700E+05 ppm1      1.760 ppm2      7.261
 ASSI { 2041}
   (( segid "    " and resid "59  " and name "HG2 "))
   (( segid "    " and resid "59  " and name "HN  "))
      2.800     1.000     1.000 peak  2041 weight  0.10000E+01 volume  0.16440E+06 ppm1      1.586 ppm2      7.986
 OR { 2041}
   (( segid "    " and resid "59  " and name "HG3 "))
   (( segid "    " and resid "59  " and name "HN  "))
 ASSI { 2047}
   (( segid "    " and resid "59  " and name "HG3 "))
   (( segid "    " and resid "59  " and name "HE  "))
      3.000     1.100     1.100 peak  2047 weight  0.10000E+01 volume  0.12590E+06 ppm1      1.586 ppm2      7.261
 OR { 2047}
   (( segid "    " and resid "59  " and name "HG2 "))
   (( segid "    " and resid "59  " and name "HE  "))
 ASSI { 2066}
   (( segid "    " and resid "60  " and name "HA  "))
   (( segid "    " and resid "60  " and name "HN  "))
      3.500     1.500     1.500 peak  2066 weight  0.10000E+01 volume  0.49250E+05 ppm1      4.849 ppm2      8.733
 ASSI { 2070}
   (( segid "    " and resid "60  " and name "HB2 "))
   (( segid "    " and resid "60  " and name "HN  "))
      3.600     1.600     1.600 peak  2070 weight  0.10000E+01 volume  0.35730E+05 ppm1      3.716 ppm2      8.733
 ASSI { 2074}
   (( segid "    " and resid "60  " and name "HB3 "))
   (( segid "    " and resid "60  " and name "HN  "))
      2.800     1.000     1.000 peak  2074 weight  0.10000E+01 volume  0.17470E+06 ppm1      2.805 ppm2      8.733
 ASSI { 2081}
   (( segid "    " and resid "61  " and name "HA  "))
   (( segid "    " and resid "61  " and name "HN  "))
      2.600     0.800     0.800 peak  2081 weight  0.10000E+01 volume  0.28150E+06 ppm1      4.169 ppm2      8.483
 ASSI { 2084}
   (( segid "    " and resid "61  " and name "HB2 ")
     OR 
    ( segid "    " and resid "61  " and name "HB3 ")
     OR 
    ( segid "    " and resid "61  " and name "HB1 "))
   (( segid "    " and resid "61  " and name "HN  "))
      2.200     0.600     0.600 peak  2084 weight  0.10000E+01 volume  0.77840E+06 ppm1      1.479 ppm2      8.483
 ASSI { 2094}
   (( segid "    " and resid "62  " and name "HA  "))
   (( segid "    " and resid "62  " and name "HN  "))
      2.500     0.800     0.800 peak  2094 weight  0.10000E+01 volume  0.30750E+06 ppm1      4.332 ppm2      7.420
 ASSI { 2108}
   (( segid "    " and resid "62  " and name "HB3 "))
   (( segid "    " and resid "62  " and name "HN  "))
      2.400     0.700     0.700 peak  2108 weight  0.10000E+01 volume  0.46230E+06 ppm1      1.649 ppm2      7.420
 ASSI { 2142}
   (( segid "    " and resid "63  " and name "HA  "))
   (( segid "    " and resid "63  " and name "HN  "))
      2.100     0.600     0.600 peak  2142 weight  0.10000E+01 volume  0.91140E+06 ppm1      3.964 ppm2      8.252
 ASSI { 2148}
   (( segid "    " and resid "9   " and name "HG3 "))
   (( segid "    " and resid "9   " and name "HN  "))
      6.000     6.000     1.000 peak  2148 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.513 ppm2      8.252
 OR { 2148}
   (( segid "    " and resid "9   " and name "HG2 "))
   (( segid "    " and resid "9   " and name "HN  "))
 ASSI { 2154}
   (( segid "    " and resid "63  " and name "HB3 "))
   (( segid "    " and resid "63  " and name "HN  "))
      3.200     1.300     1.300 peak  2154 weight  0.10000E+01 volume  0.71360E+05 ppm1      2.233 ppm2      8.252
 ASSI { 2160}
   (( segid "    " and resid "63  " and name "HG2 "))
   (( segid "    " and resid "63  " and name "HN  "))
      3.200     1.300     1.300 peak  2160 weight  0.10000E+01 volume  0.72230E+05 ppm1      2.686 ppm2      8.252
 ASSI { 2196}
   (( segid "    " and resid "64  " and name "HG2 "))
   (( segid "    " and resid "64  " and name "HN  "))
      6.000     6.000     1.000 peak  2196 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.162 ppm2      8.010
 ASSI { 2232}
   (( segid "    " and resid "65  " and name "HG2 "))
   (( segid "    " and resid "65  " and name "HN  "))
      2.800     1.000     1.000 peak  2232 weight  0.10000E+01 volume  0.17810E+06 ppm1      2.410 ppm2      8.531
 ASSI { 2259}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "66  " and name "HN  "))
      2.300     0.700     0.700 peak  2259 weight  0.10000E+01 volume  0.51710E+06 ppm1      0.646 ppm2      8.777
 ASSI { 2264}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "66  " and name "HN  "))
      2.800     1.000     1.000 peak  2264 weight  0.10000E+01 volume  0.16750E+06 ppm1      0.476 ppm2      8.777
 ASSI { 2275}
   (( segid "    " and resid "67  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HN  "))
      3.000     1.100     1.100 peak  2275 weight  0.10000E+01 volume  0.11310E+06 ppm1      4.962 ppm2      8.473
 ASSI { 2281}
   (( segid "    " and resid "67  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HN  "))
      2.700     0.900     0.900 peak  2281 weight  0.10000E+01 volume  0.20530E+06 ppm1      2.687 ppm2      8.473
 ASSI { 2285}
   (( segid "    " and resid "67  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      2.200     0.600     0.600 peak  2285 weight  0.10000E+01 volume  0.69250E+06 ppm1      2.687 ppm2      6.843
 ASSI { 2287}
   (( segid "    " and resid "67  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HN  "))
      2.400     2.400     4.600 peak  2287 weight  0.10000E+01 volume  0.38540E+06 ppm1      2.620 ppm2      8.473
 ASSI { 2291}
   (( segid "    " and resid "67  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      2.300     0.700     0.700 peak  2291 weight  0.10000E+01 volume  0.51340E+06 ppm1      2.620 ppm2      6.843
 ASSI { 2293}
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
   (( segid "    " and resid "67  " and name "HN  "))
      2.700     0.900     0.900 peak  2293 weight  0.10000E+01 volume  0.21020E+06 ppm1      6.843 ppm2      8.473
 ASSI { 2299}
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
   (( segid "    " and resid "67  " and name "HN  "))
      4.300     2.300     2.300 peak  2299 weight  0.10000E+01 volume  0.13060E+05 ppm1      6.594 ppm2      8.473
 ASSI { 2309}
   (( segid "    " and resid "68  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HN  "))
      2.800     1.000     1.000 peak  2309 weight  0.10000E+01 volume  0.16780E+06 ppm1      5.191 ppm2      9.106
 ASSI { 2313}
   (( segid "    " and resid "68  " and name "HB2 "))
   (( segid "    " and resid "68  " and name "HN  "))
      3.100     1.200     1.200 peak  2313 weight  0.10000E+01 volume  0.91200E+05 ppm1      2.890 ppm2      9.106
 ASSI { 2317}
   (( segid "    " and resid "68  " and name "HB3 "))
   (( segid "    " and resid "68  " and name "HN  "))
      3.000     1.100     1.100 peak  2317 weight  0.10000E+01 volume  0.11110E+06 ppm1      2.840 ppm2      9.106
 ASSI { 2331}
   (( segid "    " and resid "19  " and name "HG3 "))
   (( segid "    " and resid "69  " and name "HN  "))
      2.400     0.700     0.700 peak  2331 weight  0.10000E+01 volume  0.39330E+06 ppm1      1.554 ppm2      8.654
 ASSI { 2336}
   (( segid "    " and resid "69  " and name "HB3 "))
   (( segid "    " and resid "69  " and name "HN  "))
      2.800     1.000     1.000 peak  2336 weight  0.10000E+01 volume  0.17050E+06 ppm1      1.683 ppm2      8.654
 OR { 2336}
   (( segid "    " and resid "69  " and name "HB2 "))
   (( segid "    " and resid "69  " and name "HN  "))
 ASSI { 2341}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "69  " and name "HN  "))
      2.900     1.100     1.100 peak  2341 weight  0.10000E+01 volume  0.13260E+06 ppm1      0.968 ppm2      8.654
 OR { 2341}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "69  " and name "HN  "))
 ASSI { 2398}
   (( segid "    " and resid "71  " and name "HA  "))
   (( segid "    " and resid "71  " and name "HN  "))
      2.500     0.800     0.800 peak  2398 weight  0.10000E+01 volume  0.32930E+06 ppm1      4.240 ppm2      8.438
 ASSI { 2401}
   (( segid "    " and resid "71  " and name "HB2 ")
     OR 
    ( segid "    " and resid "71  " and name "HB3 ")
     OR 
    ( segid "    " and resid "71  " and name "HB1 "))
   (( segid "    " and resid "71  " and name "HN  "))
      2.200     0.600     0.600 peak  2401 weight  0.10000E+01 volume  0.69180E+06 ppm1      1.393 ppm2      8.438
 ASSI { 2414}
   (( segid "    " and resid "72  " and name "HB2 "))
   (( segid "    " and resid "72  " and name "HN  "))
      2.900     1.100     1.100 peak  2414 weight  0.10000E+01 volume  0.14340E+06 ppm1      2.058 ppm2      8.465
 ASSI { 2419}
   (( segid "    " and resid "72  " and name "HB3 "))
   (( segid "    " and resid "72  " and name "HN  "))
      2.600     0.800     0.800 peak  2419 weight  0.10000E+01 volume  0.30050E+06 ppm1      1.942 ppm2      8.465
 ASSI { 2424}
   (( segid "    " and resid "72  " and name "HG2 "))
   (( segid "    " and resid "72  " and name "HN  "))
      3.000     1.100     1.100 peak  2424 weight  0.10000E+01 volume  0.12170E+06 ppm1      2.293 ppm2      8.465
 OR { 2424}
   (( segid "    " and resid "72  " and name "HG3 "))
   (( segid "    " and resid "72  " and name "HN  "))
 ASSI { 2443}
   (( segid "    " and resid "73  " and name "HB2 "))
   (( segid "    " and resid "73  " and name "HN  "))
      6.000     6.000     1.000 peak  2443 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.700 ppm2      8.330
 OR { 2443}
   (( segid "    " and resid "73  " and name "HG  "))
   (( segid "    " and resid "73  " and name "HN  "))
 ASSI { 2450}
   (( segid "    " and resid "73  " and name "HB3 "))
   (( segid "    " and resid "73  " and name "HN  "))
      6.000     6.000     1.000 peak  2450 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.633 ppm2      8.330
 ASSI { 2484}
   (( segid "    " and resid "74  " and name "HA2 "))
   (( segid "    " and resid "74  " and name "HN  "))
      2.900     1.100     1.100 peak  2484 weight  0.10000E+01 volume  0.14710E+06 ppm1      3.917 ppm2      8.467
 ASSI { 2556}
   (( segid "    " and resid "78  " and name "HB  "))
   (( segid "    " and resid "78  " and name "HN  "))
      4.700     2.800     2.300 peak  2556 weight  0.10000E+01 volume  0.76540E+04 ppm1      4.238 ppm2      7.827
 ASSI { 2568}
   (( segid "    " and resid "77  " and name "HA  "))
   (( segid "    " and resid "77  " and name "HN  "))
      6.000     6.000     1.000 peak  2568 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.396 ppm2      8.411
 ASSI { 2572}
   (( segid "    " and resid "77  " and name "HB  "))
   (( segid "    " and resid "77  " and name "HN  "))
      3.600     1.600     1.600 peak  2572 weight  0.10000E+01 volume  0.37240E+05 ppm1      4.292 ppm2      8.411
 ASSI { 2576}
   (( segid "    " and resid "77  " and name "HG21")
     OR 
    ( segid "    " and resid "77  " and name "HG23")
     OR 
    ( segid "    " and resid "77  " and name "HG22"))
   (( segid "    " and resid "77  " and name "HN  "))
      3.700     1.700     1.700 peak  2576 weight  0.10000E+01 volume  0.33040E+05 ppm1      1.245 ppm2      8.411
 ASSI {    9}
   (( segid "    " and resid "2   " and name "HA  "))
   (( segid "    " and resid "3   " and name "HN  "))
      2.500     0.800     0.800 peak     9 weight  0.10000E+01 volume  0.37880E+06 ppm1      4.432 ppm2      8.674
 ASSI {   11}
   (( segid "    " and resid "2   " and name "HB2 "))
   (( segid "    " and resid "3   " and name "HN  "))
      3.100     1.200     1.200 peak    11 weight  0.10000E+01 volume  0.91840E+05 ppm1      1.849 ppm2      8.674
 ASSI {   20}
   (( segid "    " and resid "3   " and name "HB2 "))
   (( segid "    " and resid "4   " and name "HN  "))
      3.200     1.300     1.300 peak    20 weight  0.10000E+01 volume  0.79800E+05 ppm1      3.920 ppm2      8.535
 ASSI {   28}
   (( segid "    " and resid "4   " and name "HA  "))
   (( segid "    " and resid "5   " and name "HN  "))
      2.400     0.700     0.700 peak    28 weight  0.10000E+01 volume  0.41100E+06 ppm1      4.488 ppm2      8.361
 ASSI {   30}
   (( segid "    " and resid "4   " and name "HB2 "))
   (( segid "    " and resid "5   " and name "HN  "))
      3.100     1.200     1.200 peak    30 weight  0.10000E+01 volume  0.96520E+05 ppm1      3.972 ppm2      8.361
 ASSI {   48}
   (( segid "    " and resid "6   " and name "HB2 "))
   (( segid "    " and resid "7   " and name "HN  "))
      2.900     1.100     1.100 peak    48 weight  0.10000E+01 volume  0.12880E+06 ppm1      2.021 ppm2      8.518
 ASSI {   55}
   (( segid "    " and resid "4   " and name "HN  "))
   (( segid "    " and resid "2   " and name "HN  "))
      6.000     6.000     1.000 peak    55 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.518 ppm2      8.834
 ASSI {   74}
   (( segid "    " and resid "9   " and name "HA  "))
   (( segid "    " and resid "10  " and name "HN  "))
      2.900     1.100     1.100 peak    74 weight  0.10000E+01 volume  0.12680E+06 ppm1      4.198 ppm2      7.925
 ASSI {   79}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HN  "))
      2.200     0.600     0.600 peak    79 weight  0.10000E+01 volume  0.64590E+06 ppm1      7.925 ppm2      8.246
 ASSI {   84}
   (( segid "    " and resid "10  " and name "HA  "))
   (( segid "    " and resid "11  " and name "HN  "))
      3.000     1.100     1.100 peak    84 weight  0.10000E+01 volume  0.11600E+06 ppm1      3.301 ppm2      7.993
 ASSI {   87}
   (( segid "    " and resid "10  " and name "HB3 "))
   (( segid "    " and resid "11  " and name "HN  "))
      3.000     1.100     1.100 peak    87 weight  0.10000E+01 volume  0.12220E+06 ppm1      1.333 ppm2      7.993
 ASSI {   94}
   (( segid "    " and resid "11  " and name "HA  "))
   (( segid "    " and resid "12  " and name "HN  "))
      3.300     1.400     1.400 peak    94 weight  0.10000E+01 volume  0.65440E+05 ppm1      3.353 ppm2      7.745
 ASSI {   96}
   (( segid "    " and resid "11  " and name "HB  "))
   (( segid "    " and resid "12  " and name "HN  "))
      2.500     0.800     0.800 peak    96 weight  0.10000E+01 volume  0.35360E+06 ppm1      2.121 ppm2      7.745
 ASSI {   98}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HN  "))
      2.400     0.700     0.700 peak    98 weight  0.10000E+01 volume  0.39240E+06 ppm1      7.745 ppm2      7.993
 ASSI {  101}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HN  "))
      2.400     0.700     0.700 peak   101 weight  0.10000E+01 volume  0.43350E+06 ppm1      7.745 ppm2      8.167
 ASSI {  102}
   (( segid "    " and resid "12  " and name "HA  "))
   (( segid "    " and resid "13  " and name "HN  "))
      3.100     1.200     1.200 peak   102 weight  0.10000E+01 volume  0.10270E+06 ppm1      3.896 ppm2      8.167
 ASSI {  104}
   (( segid "    " and resid "12  " and name "HB3 "))
   (( segid "    " and resid "13  " and name "HN  "))
      2.400     0.700     0.700 peak   104 weight  0.10000E+01 volume  0.46150E+06 ppm1      1.922 ppm2      8.167
 OR {  104}
   (( segid "    " and resid "12  " and name "HB2 "))
   (( segid "    " and resid "13  " and name "HN  "))
 ASSI {  109}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HN  "))
      2.500     0.800     0.800 peak   109 weight  0.10000E+01 volume  0.37650E+06 ppm1      8.167 ppm2      8.841
 ASSI {  112}
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
   (( segid "    " and resid "14  " and name "HN  "))
      2.300     0.700     0.700 peak   112 weight  0.10000E+01 volume  0.54440E+06 ppm1      1.507 ppm2      8.841
 ASSI {  118}
   (( segid "    " and resid "70  " and name "HD2 "))
   (( segid "    " and resid "56  " and name "HN  "))
      3.200     1.300     1.300 peak   118 weight  0.10000E+01 volume  0.84020E+05 ppm1      3.855 ppm2      8.554
 ASSI {  120}
   (( segid "    " and resid "14  " and name "HB2 "))
   (( segid "    " and resid "15  " and name "HN  "))
      2.500     0.800     0.800 peak   120 weight  0.10000E+01 volume  0.37280E+06 ppm1      3.155 ppm2      8.554
 ASSI {  121}
   (( segid "    " and resid "14  " and name "HB3 "))
   (( segid "    " and resid "15  " and name "HN  "))
      2.900     1.100     1.100 peak   121 weight  0.10000E+01 volume  0.14490E+06 ppm1      2.878 ppm2      8.554
 ASSI {  128}
   (( segid "    " and resid "15  " and name "HA  "))
   (( segid "    " and resid "16  " and name "HN  "))
      3.100     1.200     1.200 peak   128 weight  0.10000E+01 volume  0.87770E+05 ppm1      3.438 ppm2      7.775
 ASSI {  131}
   (( segid "    " and resid "15  " and name "HB3 "))
   (( segid "    " and resid "16  " and name "HN  "))
      3.000     1.100     1.100 peak   131 weight  0.10000E+01 volume  0.11570E+06 ppm1      1.742 ppm2      7.775
 ASSI {  133}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HN  "))
      2.500     0.800     0.800 peak   133 weight  0.10000E+01 volume  0.33510E+06 ppm1      7.775 ppm2      8.554
 ASSI {  146}
   (( segid "    " and resid "17  " and name "HA  "))
   (( segid "    " and resid "18  " and name "HN  "))
      3.200     1.300     1.300 peak   146 weight  0.10000E+01 volume  0.73660E+05 ppm1      4.276 ppm2      7.529
 ASSI {  148}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "18  " and name "HN  "))
      6.000     6.000     1.000 peak   148 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.826 ppm2      7.529
 ASSI {  155}
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HN  "))
      2.500     0.800     0.800 peak   155 weight  0.10000E+01 volume  0.34560E+06 ppm1      7.529 ppm2      8.222
 ASSI {  158}
   (( segid "    " and resid "18  " and name "HB2 "))
   (( segid "    " and resid "19  " and name "HN  "))
      6.000     6.000     1.000 peak   158 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      8.222
 ASSI {  159}
   (( segid "    " and resid "18  " and name "HB3 "))
   (( segid "    " and resid "19  " and name "HN  "))
      3.300     1.400     1.400 peak   159 weight  0.10000E+01 volume  0.70510E+05 ppm1      1.186 ppm2      8.222
 ASSI {  166}
   (( segid "    " and resid "17  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      2.400     0.700     0.700 peak   166 weight  0.10000E+01 volume  0.47070E+06 ppm1      4.280 ppm2      7.421
 ASSI {  175}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HN  "))
      2.600     0.800     0.800 peak   175 weight  0.10000E+01 volume  0.29450E+06 ppm1      7.422 ppm2      7.920
 ASSI {  195}
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HN  "))
      2.200     0.600     0.600 peak   195 weight  0.10000E+01 volume  0.67220E+06 ppm1      7.924 ppm2      8.320
 ASSI {  196}
   (( segid "    " and resid "22  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HN  "))
      6.000     6.000     1.000 peak   196 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.519 ppm2      8.320
 ASSI {  199}
   (( segid "    " and resid "22  " and name "HB3 "))
   (( segid "    " and resid "23  " and name "HN  "))
      6.000     6.000     1.000 peak   199 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.094 ppm2      8.320
 ASSI {  205}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HN  "))
      4.800     2.900     2.200 peak   205 weight  0.10000E+01 volume  0.65660E+04 ppm1      8.320 ppm2      9.548
 ASSI {  206}
   (( segid "    " and resid "23  " and name "HA  "))
   (( segid "    " and resid "24  " and name "HN  "))
      2.400     0.700     0.700 peak   206 weight  0.10000E+01 volume  0.38450E+06 ppm1      4.747 ppm2      9.548
 ASSI {  208}
   (( segid "    " and resid "23  " and name "HB2 "))
   (( segid "    " and resid "24  " and name "HN  "))
      2.900     1.100     1.100 peak   208 weight  0.10000E+01 volume  0.13150E+06 ppm1      3.054 ppm2      9.548
 ASSI {  221}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HN  "))
      2.400     0.700     0.700 peak   221 weight  0.10000E+01 volume  0.40200E+06 ppm1      7.993 ppm2      9.548
 ASSI {  225}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HN  "))
      4.200     2.200     2.200 peak   225 weight  0.10000E+01 volume  0.15510E+05 ppm1      7.993 ppm2      9.628
 ASSI {  226}
   (( segid "    " and resid "25  " and name "HA  "))
   (( segid "    " and resid "26  " and name "HN  "))
      2.300     0.700     0.700 peak   226 weight  0.10000E+01 volume  0.54910E+06 ppm1      5.287 ppm2      9.628
 ASSI {  228}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "26  " and name "HN  "))
      2.800     1.000     1.000 peak   228 weight  0.10000E+01 volume  0.17370E+06 ppm1      4.333 ppm2      9.628
 ASSI {  229}
   (( segid "    " and resid "25  " and name "HB3 "))
   (( segid "    " and resid "26  " and name "HN  "))
      3.400     1.400     1.400 peak   229 weight  0.10000E+01 volume  0.53620E+05 ppm1      3.986 ppm2      9.628
 ASSI {  236}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HN  "))
      3.200     1.300     1.300 peak   236 weight  0.10000E+01 volume  0.72490E+05 ppm1      3.807 ppm2      9.069
 ASSI {  238}
   (( segid "    " and resid "26  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HN  "))
      2.500     0.800     0.800 peak   238 weight  0.10000E+01 volume  0.30590E+06 ppm1      2.086 ppm2      9.068
 ASSI {  239}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "27  " and name "HN  "))
      3.200     1.300     1.300 peak   239 weight  0.10000E+01 volume  0.84340E+05 ppm1      1.933 ppm2      9.068
 ASSI {  241}
   (( segid "    " and resid "27  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HN  "))
      2.800     1.000     1.000 peak   241 weight  0.10000E+01 volume  0.17120E+06 ppm1      9.068 ppm2      9.628
 ASSI {  248}
   (( segid "    " and resid "27  " and name "HA2 "))
   (( segid "    " and resid "28  " and name "HN  "))
      3.200     1.300     1.300 peak   248 weight  0.10000E+01 volume  0.83830E+05 ppm1      3.714 ppm2      7.779
 ASSI {  251}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HN  "))
      2.700     0.900     0.900 peak   251 weight  0.10000E+01 volume  0.19610E+06 ppm1      7.779 ppm2      9.068
 ASSI {  260}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HN  "))
      2.600     0.800     0.800 peak   260 weight  0.10000E+01 volume  0.25770E+06 ppm1      7.260 ppm2      7.779
 ASSI {  264}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HN  "))
      2.500     0.800     0.800 peak   264 weight  0.10000E+01 volume  0.37810E+06 ppm1      7.260 ppm2      8.132
 ASSI {  276}
   (( segid "    " and resid "30  " and name "HB  "))
   (( segid "    " and resid "31  " and name "HN  "))
      2.300     0.700     0.700 peak   276 weight  0.10000E+01 volume  0.55630E+06 ppm1      2.221 ppm2      7.679
 ASSI {  281}
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HN  "))
      6.000     6.000     1.000 peak   281 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.679 ppm2      7.760
 ASSI {  282}
   (( segid "    " and resid "31  " and name "HA  "))
   (( segid "    " and resid "32  " and name "HN  "))
      6.000     6.000     1.000 peak   282 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.162 ppm2      7.760
 ASSI {  292}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "33  " and name "HN  "))
      2.400     0.700     0.700 peak   292 weight  0.10000E+01 volume  0.41670E+06 ppm1      1.394 ppm2      8.135
 ASSI {  297}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HN  "))
      2.400     0.700     0.700 peak   297 weight  0.10000E+01 volume  0.44780E+06 ppm1      8.135 ppm2      8.716
 ASSI {  301}
   (( segid "    " and resid "33  " and name "HB3 "))
   (( segid "    " and resid "34  " and name "HN  "))
      3.400     1.400     1.400 peak   301 weight  0.10000E+01 volume  0.53620E+05 ppm1      1.269 ppm2      8.716
 ASSI {  310}
   (( segid "    " and resid "34  " and name "HB2 "))
   (( segid "    " and resid "35  " and name "HN  "))
      2.700     0.900     0.900 peak   310 weight  0.10000E+01 volume  0.21680E+06 ppm1      2.331 ppm2      8.332
 ASSI {  318}
   (( segid "    " and resid "35  " and name "HA  "))
   (( segid "    " and resid "36  " and name "HN  "))
      2.800     1.000     1.000 peak   318 weight  0.10000E+01 volume  0.17400E+06 ppm1      4.111 ppm2      7.384
 ASSI {  320}
   (( segid "    " and resid "35  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HN  "))
      6.000     6.000     1.000 peak   320 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2      7.384
 ASSI {  323}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HN  "))
      2.500     0.800     0.800 peak   323 weight  0.10000E+01 volume  0.34260E+06 ppm1      7.384 ppm2      8.332
 ASSI {  327}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "37  " and name "HN  "))
      2.300     0.700     0.700 peak   327 weight  0.10000E+01 volume  0.50310E+06 ppm1      7.384 ppm2      7.737
 ASSI {  328}
   (( segid "    " and resid "36  " and name "HA  "))
   (( segid "    " and resid "37  " and name "HN  "))
      2.900     1.100     1.100 peak   328 weight  0.10000E+01 volume  0.15340E+06 ppm1      4.283 ppm2      7.737
 ASSI {  330}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "37  " and name "HN  "))
      3.000     1.100     1.100 peak   330 weight  0.10000E+01 volume  0.10400E+06 ppm1      2.483 ppm2      7.737
 ASSI {  331}
   (( segid "    " and resid "36  " and name "HB3 "))
   (( segid "    " and resid "37  " and name "HN  "))
      3.000     1.100     1.100 peak   331 weight  0.10000E+01 volume  0.11810E+06 ppm1      2.241 ppm2      7.737
 ASSI {  340}
   (( segid "    " and resid "37  " and name "HA2 "))
   (( segid "    " and resid "38  " and name "HN  "))
      3.000     1.100     1.100 peak   340 weight  0.10000E+01 volume  0.11550E+06 ppm1      3.631 ppm2      7.639
 ASSI {  346}
   (( segid "    " and resid "38  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HN  "))
      3.700     1.700     1.700 peak   346 weight  0.10000E+01 volume  0.33530E+05 ppm1      7.639 ppm2      8.299
 ASSI {  349}
   (( segid "    " and resid "38  " and name "HB2 "))
   (( segid "    " and resid "39  " and name "HN  "))
      2.700     0.900     0.900 peak   349 weight  0.10000E+01 volume  0.20070E+06 ppm1      3.007 ppm2      8.299
 ASSI {  350}
   (( segid "    " and resid "38  " and name "HB3 "))
   (( segid "    " and resid "39  " and name "HN  "))
      3.300     1.400     1.400 peak   350 weight  0.10000E+01 volume  0.69950E+05 ppm1      2.581 ppm2      8.299
 ASSI {  356}
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HN  "))
      2.800     1.000     1.000 peak   356 weight  0.10000E+01 volume  0.18010E+06 ppm1      8.299 ppm2      8.778
 ASSI {  359}
   (( segid "    " and resid "39  " and name "HB2 "))
   (( segid "    " and resid "40  " and name "HN  "))
      3.000     1.100     1.100 peak   359 weight  0.10000E+01 volume  0.12290E+06 ppm1      2.681 ppm2      8.778
 ASSI {  368}
   (( segid "    " and resid "40  " and name "HA  "))
   (( segid "    " and resid "41  " and name "HN  "))
      2.600     0.800     0.800 peak   368 weight  0.10000E+01 volume  0.26060E+06 ppm1      4.550 ppm2      8.108
 ASSI {  373}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HN  "))
      2.500     0.800     0.800 peak   373 weight  0.10000E+01 volume  0.35580E+06 ppm1      8.108 ppm2      8.778
 ASSI {  378}
   (( segid "    " and resid "41  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HN  "))
      2.100     0.600     0.600 peak   378 weight  0.10000E+01 volume  0.10150E+07 ppm1      4.143 ppm2      6.765
 ASSI {  380}
   (( segid "    " and resid "41  " and name "HB  "))
   (( segid "    " and resid "42  " and name "HN  "))
      3.200     1.300     1.300 peak   380 weight  0.10000E+01 volume  0.82880E+05 ppm1      1.958 ppm2      6.765
 ASSI {  382}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HN  "))
      3.700     1.700     1.700 peak   382 weight  0.10000E+01 volume  0.32190E+05 ppm1      6.765 ppm2      8.108
 ASSI {  385}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HN  "))
      4.400     2.400     2.400 peak   385 weight  0.10000E+01 volume  0.11810E+05 ppm1      6.765 ppm2      9.105
 ASSI {  388}
   (( segid "    " and resid "42  " and name "HB2 "))
   (( segid "    " and resid "43  " and name "HN  "))
      2.400     0.700     0.700 peak   388 weight  0.10000E+01 volume  0.45710E+06 ppm1      3.219 ppm2      9.105
 ASSI {  389}
   (( segid "    " and resid "42  " and name "HB3 "))
   (( segid "    " and resid "43  " and name "HN  "))
      2.900     1.100     1.100 peak   389 weight  0.10000E+01 volume  0.15370E+06 ppm1      3.020 ppm2      9.105
 ASSI {  396}
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "44  " and name "HN  "))
      3.200     1.300     1.300 peak   396 weight  0.10000E+01 volume  0.71940E+05 ppm1      3.606 ppm2      8.389
 ASSI {  398}
   (( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HN  "))
      2.900     1.100     1.100 peak   398 weight  0.10000E+01 volume  0.15450E+06 ppm1      2.154 ppm2      8.389
 ASSI {  399}
   (( segid "    " and resid "43  " and name "HB3 "))
   (( segid "    " and resid "44  " and name "HN  "))
      3.000     1.100     1.100 peak   399 weight  0.10000E+01 volume  0.10470E+06 ppm1      2.080 ppm2      8.389
 ASSI {  401}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HN  "))
      2.900     1.100     1.100 peak   401 weight  0.10000E+01 volume  0.12760E+06 ppm1      8.389 ppm2      9.105
 ASSI {  406}
   (( segid "    " and resid "44  " and name "HA  "))
   (( segid "    " and resid "45  " and name "HN  "))
      3.000     1.100     1.100 peak   406 weight  0.10000E+01 volume  0.11790E+06 ppm1      4.172 ppm2      8.213
 ASSI {  408}
   (( segid "    " and resid "44  " and name "HB2 "))
   (( segid "    " and resid "45  " and name "HN  "))
      2.900     1.100     1.100 peak   408 weight  0.10000E+01 volume  0.15200E+06 ppm1      3.921 ppm2      8.213
 ASSI {  409}
   (( segid "    " and resid "44  " and name "HB3 "))
   (( segid "    " and resid "45  " and name "HN  "))
      2.800     1.000     1.000 peak   409 weight  0.10000E+01 volume  0.16340E+06 ppm1      3.871 ppm2      8.213
 ASSI {  411}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HN  "))
      2.500     0.800     0.800 peak   411 weight  0.10000E+01 volume  0.33040E+06 ppm1      8.213 ppm2      8.389
 ASSI {  416}
   (( segid "    " and resid "45  " and name "HA  "))
   (( segid "    " and resid "46  " and name "HN  "))
      3.200     1.300     1.300 peak   416 weight  0.10000E+01 volume  0.80830E+05 ppm1      4.004 ppm2      7.848
 ASSI {  418}
   (( segid "    " and resid "45  " and name "HB2 "))
   (( segid "    " and resid "46  " and name "HN  "))
      6.000     6.000     1.000 peak   418 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.829 ppm2      7.848
 OR {  418}
   (( segid "    " and resid "45  " and name "HB3 "))
   (( segid "    " and resid "46  " and name "HN  "))
 ASSI {  420}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HN  "))
      2.400     0.700     0.700 peak   420 weight  0.10000E+01 volume  0.39460E+06 ppm1      7.848 ppm2      8.213
 ASSI {  423}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HN  "))
      2.500     0.800     0.800 peak   423 weight  0.10000E+01 volume  0.35720E+06 ppm1      7.848 ppm2      8.858
 ASSI {  424}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HN  "))
      3.100     1.200     1.200 peak   424 weight  0.10000E+01 volume  0.96260E+05 ppm1      3.429 ppm2      8.858
 ASSI {  426}
   (( segid "    " and resid "46  " and name "HB  "))
   (( segid "    " and resid "47  " and name "HN  "))
      2.500     0.800     0.800 peak   426 weight  0.10000E+01 volume  0.30820E+06 ppm1      2.068 ppm2      8.858
 ASSI {  436}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HN  "))
      2.500     0.800     0.800 peak   436 weight  0.10000E+01 volume  0.30400E+06 ppm1      7.657 ppm2      8.858
 ASSI {  439}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HN  "))
      2.400     0.700     0.700 peak   439 weight  0.10000E+01 volume  0.40770E+06 ppm1      7.657 ppm2      7.933
 ASSI {  442}
   (( segid "    " and resid "48  " and name "HB2 "))
   (( segid "    " and resid "49  " and name "HN  "))
      2.800     1.000     1.000 peak   442 weight  0.10000E+01 volume  0.15870E+06 ppm1      1.931 ppm2      7.933
 ASSI {  449}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HN  "))
      2.400     0.700     0.700 peak   449 weight  0.10000E+01 volume  0.39580E+06 ppm1      7.933 ppm2      8.704
 ASSI {  450}
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "50  " and name "HN  "))
      3.300     1.400     1.400 peak   450 weight  0.10000E+01 volume  0.60010E+05 ppm1      3.799 ppm2      8.704
 ASSI {  452}
   (( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "50  " and name "HN  "))
      2.700     0.900     0.900 peak   452 weight  0.10000E+01 volume  0.19350E+06 ppm1      1.475 ppm2      8.704
 ASSI {  453}
   (( segid "    " and resid "49  " and name "HB3 "))
   (( segid "    " and resid "50  " and name "HN  "))
      3.400     1.400     1.400 peak   453 weight  0.10000E+01 volume  0.54040E+05 ppm1      1.057 ppm2      8.704
 ASSI {  462}
   (( segid "    " and resid "50  " and name "HB2 "))
   (( segid "    " and resid "51  " and name "HN  "))
      2.600     0.800     0.800 peak   462 weight  0.10000E+01 volume  0.29320E+06 ppm1      2.154 ppm2      7.644
 ASSI {  463}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "51  " and name "HN  "))
      3.000     1.100     1.100 peak   463 weight  0.10000E+01 volume  0.11870E+06 ppm1      1.421 ppm2      7.644
 ASSI {  465}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HN  "))
      2.700     0.900     0.900 peak   465 weight  0.10000E+01 volume  0.22990E+06 ppm1      7.644 ppm2      8.704
 ASSI {  469}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HN  "))
      2.600     0.800     0.800 peak   469 weight  0.10000E+01 volume  0.25220E+06 ppm1      7.644 ppm2      8.348
 ASSI {  478}
   (( segid "    " and resid "52  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HN  "))
      3.200     1.300     1.300 peak   478 weight  0.10000E+01 volume  0.75660E+05 ppm1      3.884 ppm2      8.039
 ASSI {  480}
   (( segid "    " and resid "52  " and name "HB2 "))
   (( segid "    " and resid "53  " and name "HN  "))
      3.000     1.100     1.100 peak   480 weight  0.10000E+01 volume  0.10810E+06 ppm1      1.723 ppm2      8.039
 ASSI {  481}
   (( segid "    " and resid "52  " and name "HB3 "))
   (( segid "    " and resid "53  " and name "HN  "))
      2.500     0.800     0.800 peak   481 weight  0.10000E+01 volume  0.32120E+06 ppm1      1.508 ppm2      8.039
 ASSI {  483}
   (( segid "    " and resid "53  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HN  "))
      2.500     0.800     0.800 peak   483 weight  0.10000E+01 volume  0.36090E+06 ppm1      8.039 ppm2      8.348
 ASSI {  488}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "54  " and name "HN  "))
      2.900     1.100     1.100 peak   488 weight  0.10000E+01 volume  0.14640E+06 ppm1      4.573 ppm2      7.718
 ASSI {  490}
   (( segid "    " and resid "53  " and name "HB2 "))
   (( segid "    " and resid "54  " and name "HN  "))
      3.900     1.900     1.900 peak   490 weight  0.10000E+01 volume  0.23810E+05 ppm1      3.474 ppm2      7.718
 ASSI {  491}
   (( segid "    " and resid "53  " and name "HB3 "))
   (( segid "    " and resid "54  " and name "HN  "))
      3.800     1.800     1.800 peak   491 weight  0.10000E+01 volume  0.29590E+05 ppm1      2.880 ppm2      7.718
 ASSI {  493}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HN  "))
      2.400     0.700     0.700 peak   493 weight  0.10000E+01 volume  0.42820E+06 ppm1      7.718 ppm2      8.039
 ASSI {  500}
   (( segid "    " and resid "54  " and name "HA2 "))
   (( segid "    " and resid "55  " and name "HN  "))
      2.700     0.900     0.900 peak   500 weight  0.10000E+01 volume  0.23060E+06 ppm1      3.922 ppm2      8.120
 ASSI {  507}
   (( segid "    " and resid "55  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HN  "))
      2.000     0.500     0.500 peak   507 weight  0.10000E+01 volume  0.11280E+07 ppm1      4.588 ppm2      8.552
 ASSI {  509}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "56  " and name "HN  "))
      2.500     0.800     0.800 peak   509 weight  0.10000E+01 volume  0.34920E+06 ppm1      1.460 ppm2      8.552
 ASSI {  515}
   (( segid "    " and resid "56  " and name "HA  "))
   (( segid "    " and resid "57  " and name "HN  "))
      2.200     0.600     0.600 peak   515 weight  0.10000E+01 volume  0.74300E+06 ppm1      4.690 ppm2      8.323
 ASSI {  517}
   (( segid "    " and resid "56  " and name "HB  "))
   (( segid "    " and resid "57  " and name "HN  "))
      2.300     0.700     0.700 peak   517 weight  0.10000E+01 volume  0.55300E+06 ppm1      2.136 ppm2      8.323
 ASSI {  524}
   (( segid "    " and resid "57  " and name "HA  "))
   (( segid "    " and resid "58  " and name "HN  "))
      2.100     0.600     0.600 peak   524 weight  0.10000E+01 volume  0.97680E+06 ppm1      5.089 ppm2      8.923
 ASSI {  526}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "58  " and name "HN  "))
      3.400     1.400     1.400 peak   526 weight  0.10000E+01 volume  0.56970E+05 ppm1      1.378 ppm2      8.923
 ASSI {  527}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "58  " and name "HN  "))
      2.900     1.100     1.100 peak   527 weight  0.10000E+01 volume  0.14840E+06 ppm1      1.341 ppm2      8.923
 ASSI {  534}
   (( segid "    " and resid "58  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HN  "))
      2.300     0.700     0.700 peak   534 weight  0.10000E+01 volume  0.57020E+06 ppm1      4.498 ppm2      7.986
 ASSI {  541}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HN  "))
      3.000     1.100     1.100 peak   541 weight  0.10000E+01 volume  0.10390E+06 ppm1      7.986 ppm2      8.733
 ASSI {  542}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "60  " and name "HN  "))
      2.500     0.800     0.800 peak   542 weight  0.10000E+01 volume  0.37170E+06 ppm1      4.889 ppm2      8.733
 ASSI {  544}
   (( segid "    " and resid "59  " and name "HB2 "))
   (( segid "    " and resid "60  " and name "HN  "))
      3.100     1.200     1.200 peak   544 weight  0.10000E+01 volume  0.92670E+05 ppm1      1.710 ppm2      8.733
 ASSI {  545}
   (( segid "    " and resid "59  " and name "HB3 "))
   (( segid "    " and resid "60  " and name "HN  "))
      3.200     1.300     1.300 peak   545 weight  0.10000E+01 volume  0.70790E+05 ppm1      1.760 ppm2      8.733
 ASSI {  554}
   (( segid "    " and resid "60  " and name "HB2 "))
   (( segid "    " and resid "61  " and name "HN  "))
      2.300     0.700     0.700 peak   554 weight  0.10000E+01 volume  0.60970E+06 ppm1      3.716 ppm2      8.483
 ASSI {  555}
   (( segid "    " and resid "60  " and name "HB3 "))
   (( segid "    " and resid "61  " and name "HN  "))
      2.800     1.000     1.000 peak   555 weight  0.10000E+01 volume  0.18500E+06 ppm1      2.805 ppm2      8.483
 ASSI {  562}
   (( segid "    " and resid "61  " and name "HA  "))
   (( segid "    " and resid "62  " and name "HN  "))
      3.000     1.100     1.100 peak   562 weight  0.10000E+01 volume  0.10340E+06 ppm1      4.169 ppm2      7.420
 ASSI {  564}
   (( segid "    " and resid "61  " and name "HB2 ")
     OR 
    ( segid "    " and resid "61  " and name "HB3 ")
     OR 
    ( segid "    " and resid "61  " and name "HB1 "))
   (( segid "    " and resid "62  " and name "HN  "))
      6.000     6.000     1.000 peak   564 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.479 ppm2      7.420
 ASSI {  566}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HN  "))
      2.700     0.900     0.900 peak   566 weight  0.10000E+01 volume  0.22010E+06 ppm1      7.420 ppm2      8.483
 ASSI {  570}
   (( segid "    " and resid "62  " and name "HA  "))
   (( segid "    " and resid "63  " and name "HN  "))
      2.600     0.800     0.800 peak   570 weight  0.10000E+01 volume  0.25150E+06 ppm1      4.332 ppm2      8.252
 ASSI {  572}
   (( segid "    " and resid "62  " and name "HB2 "))
   (( segid "    " and resid "63  " and name "HN  "))
      3.700     1.700     1.700 peak   572 weight  0.10000E+01 volume  0.34550E+05 ppm1      2.061 ppm2      8.252
 ASSI {  573}
   (( segid "    " and resid "62  " and name "HB3 "))
   (( segid "    " and resid "63  " and name "HN  "))
      3.300     1.400     1.400 peak   573 weight  0.10000E+01 volume  0.64730E+05 ppm1      1.649 ppm2      8.252
 ASSI {  582}
   (( segid "    " and resid "63  " and name "HB2 "))
   (( segid "    " and resid "64  " and name "HN  "))
      6.000     6.000     1.000 peak   582 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.513 ppm2      8.010
 ASSI {  583}
   (( segid "    " and resid "63  " and name "HB3 "))
   (( segid "    " and resid "64  " and name "HN  "))
      4.000     2.000     2.000 peak   583 weight  0.10000E+01 volume  0.19270E+05 ppm1      2.233 ppm2      8.010
 ASSI {  589}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HN  "))
      4.100     2.100     2.100 peak   589 weight  0.10000E+01 volume  0.17270E+05 ppm1      8.010 ppm2      8.531
 ASSI {  599}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HN  "))
      3.200     1.300     1.300 peak   599 weight  0.10000E+01 volume  0.77000E+05 ppm1      8.531 ppm2      8.777
 ASSI {  600}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "66  " and name "HN  "))
      2.200     0.600     0.600 peak   600 weight  0.10000E+01 volume  0.81910E+06 ppm1      4.715 ppm2      8.777
 ASSI {  602}
   (( segid "    " and resid "65  " and name "HB2 "))
   (( segid "    " and resid "66  " and name "HN  "))
      3.800     1.800     1.800 peak   602 weight  0.10000E+01 volume  0.25740E+05 ppm1      1.922 ppm2      8.777
 ASSI {  603}
   (( segid "    " and resid "65  " and name "HB3 "))
   (( segid "    " and resid "66  " and name "HN  "))
      3.500     1.500     1.500 peak   603 weight  0.10000E+01 volume  0.47830E+05 ppm1      1.601 ppm2      8.777
 ASSI {  610}
   (( segid "    " and resid "66  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HN  "))
      2.300     0.700     0.700 peak   610 weight  0.10000E+01 volume  0.50360E+06 ppm1      4.583 ppm2      8.473
 ASSI {  614}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HN  "))
      3.700     1.700     1.700 peak   614 weight  0.10000E+01 volume  0.32960E+05 ppm1      8.473 ppm2      8.777
 ASSI {  617}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HN  "))
      4.200     2.200     2.200 peak   617 weight  0.10000E+01 volume  0.16190E+05 ppm1      8.473 ppm2      9.106
 ASSI {  618}
   (( segid "    " and resid "67  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HN  "))
      2.200     0.600     0.600 peak   618 weight  0.10000E+01 volume  0.83310E+06 ppm1      4.962 ppm2      9.106
 ASSI {  620}
   (( segid "    " and resid "67  " and name "HB3 "))
   (( segid "    " and resid "68  " and name "HN  "))
      3.300     1.400     1.400 peak   620 weight  0.10000E+01 volume  0.58920E+05 ppm1      2.620 ppm2      9.106
 ASSI {  627}
   (( segid "    " and resid "68  " and name "HA  "))
   (( segid "    " and resid "69  " and name "HN  "))
      2.300     0.700     0.700 peak   627 weight  0.10000E+01 volume  0.62910E+06 ppm1      5.191 ppm2      8.654
 ASSI {  629}
   (( segid "    " and resid "68  " and name "HB2 "))
   (( segid "    " and resid "69  " and name "HN  "))
      2.700     0.900     0.900 peak   629 weight  0.10000E+01 volume  0.22790E+06 ppm1      2.890 ppm2      8.654
 ASSI {  630}
   (( segid "    " and resid "68  " and name "HB3 "))
   (( segid "    " and resid "69  " and name "HN  "))
      2.700     0.900     0.900 peak   630 weight  0.10000E+01 volume  0.22810E+06 ppm1      2.840 ppm2      8.654
 ASSI {  632}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HN  "))
      4.200     2.200     2.200 peak   632 weight  0.10000E+01 volume  0.14500E+05 ppm1      8.654 ppm2      9.106
 ASSI {  640}
   (( segid "    " and resid "70  " and name "HB3 "))
   (( segid "    " and resid "71  " and name "HN  "))
      2.800     1.000     1.000 peak   640 weight  0.10000E+01 volume  0.15520E+06 ppm1      2.024 ppm2      8.438
 ASSI {  646}
   (( segid "    " and resid "71  " and name "HA  "))
   (( segid "    " and resid "72  " and name "HN  "))
      2.200     0.600     0.600 peak   646 weight  0.10000E+01 volume  0.76520E+06 ppm1      4.240 ppm2      8.465
 ASSI {  648}
   (( segid "    " and resid "71  " and name "HB2 ")
     OR 
    ( segid "    " and resid "71  " and name "HB3 ")
     OR 
    ( segid "    " and resid "71  " and name "HB1 "))
   (( segid "    " and resid "72  " and name "HN  "))
      2.600     0.800     0.800 peak   648 weight  0.10000E+01 volume  0.26200E+06 ppm1      1.393 ppm2      8.465
 ASSI {  654}
   (( segid "    " and resid "72  " and name "HA  "))
   (( segid "    " and resid "73  " and name "HN  "))
      2.200     0.600     0.600 peak   654 weight  0.10000E+01 volume  0.76670E+06 ppm1      4.320 ppm2      8.330
 ASSI {  664}
   (( segid "    " and resid "73  " and name "HA  "))
   (( segid "    " and resid "74  " and name "HN  "))
      2.500     0.800     0.800 peak   664 weight  0.10000E+01 volume  0.35670E+06 ppm1      4.376 ppm2      8.467
 ASSI {  665}
   (( segid "    " and resid "73  " and name "HB2 "))
   (( segid "    " and resid "74  " and name "HN  "))
      4.000     2.000     2.000 peak   665 weight  0.10000E+01 volume  0.19220E+05 ppm1      1.700 ppm2      8.467
 OR {  665}
   (( segid "    " and resid "73  " and name "HG  "))
   (( segid "    " and resid "74  " and name "HN  "))
 ASSI {  675}
   (( segid "    " and resid "74  " and name "HA2 "))
   (( segid "    " and resid "75  " and name "HN  "))
      3.000     1.100     1.100 peak   675 weight  0.10000E+01 volume  0.11180E+06 ppm1      3.917 ppm2      7.941
 ASSI {  682}
   (( segid "    " and resid "76  " and name "HA  "))
   (( segid "    " and resid "77  " and name "HN  "))
      2.600     0.800     0.800 peak   682 weight  0.10000E+01 volume  0.25160E+06 ppm1      4.534 ppm2      8.413
 ASSI {  683}
   (( segid "    " and resid "76  " and name "HB2 "))
   (( segid "    " and resid "77  " and name "HN  "))
      4.000     2.000     2.000 peak   683 weight  0.10000E+01 volume  0.19180E+05 ppm1      2.327 ppm2      8.414
 ASSI {  684}
   (( segid "    " and resid "76  " and name "HB3 "))
   (( segid "    " and resid "77  " and name "HN  "))
      4.400     2.400     2.400 peak   684 weight  0.10000E+01 volume  0.12130E+05 ppm1      1.957 ppm2      8.411
 ASSI {  691}
   (( segid "    " and resid "77  " and name "HA  "))
   (( segid "    " and resid "78  " and name "HN  "))
      3.000     1.100     1.100 peak   691 weight  0.10000E+01 volume  0.11180E+06 ppm1      4.396 ppm2      7.827
 ASSI {  692}
   (( segid "    " and resid "77  " and name "HB  "))
   (( segid "    " and resid "78  " and name "HN  "))
      4.500     2.500     2.500 peak   692 weight  0.10000E+01 volume  0.97130E+04 ppm1      4.290 ppm2      7.825
 ASSI { 2690}
   (( segid "    " and resid "62  " and name "HB3 "))
   (( segid "    " and resid "64  " and name "HN  "))
      3.300     1.400     1.400 peak  2690 weight  0.10000E+01 volume  0.65560E+05 ppm1      1.649 ppm2      8.011
 ASSI { 2693}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HN  "))
      3.600     1.600     1.600 peak  2693 weight  0.10000E+01 volume  0.39030E+05 ppm1      7.420 ppm2      8.010
 ASSI { 2695}
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HN  "))
      2.800     1.000     1.000 peak  2695 weight  0.10000E+01 volume  0.17870E+06 ppm1      8.552 ppm2      9.105
 ASSI { 2697}
   (( segid "    " and resid "67  " and name "HA  "))
   (( segid "    " and resid "58  " and name "HN  "))
      3.400     1.400     1.400 peak  2697 weight  0.10000E+01 volume  0.54030E+05 ppm1      4.964 ppm2      8.923
 ASSI { 2698}
   (( segid "    " and resid "65  " and name "HE2 ")
     OR 
    ( segid "    " and resid "65  " and name "HE3 ")
     OR 
    ( segid "    " and resid "65  " and name "HE1 "))
   (( segid "    " and resid "58  " and name "HN  "))
      3.400     1.400     1.400 peak  2698 weight  0.10000E+01 volume  0.52760E+05 ppm1      1.843 ppm2      8.923
 ASSI { 2699}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "58  " and name "HN  "))
      3.100     1.200     1.200 peak  2699 weight  0.10000E+01 volume  0.88280E+05 ppm1      0.646 ppm2      8.923
 ASSI { 2701}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "60  " and name "HN  "))
      3.000     1.100     1.100 peak  2701 weight  0.10000E+01 volume  0.11130E+06 ppm1      0.651 ppm2      8.734
 ASSI { 2702}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HN  "))
      3.900     1.900     1.900 peak  2702 weight  0.10000E+01 volume  0.22900E+05 ppm1      7.848 ppm2      8.388
 ASSI { 2703}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HN  "))
      4.000     2.000     2.000 peak  2703 weight  0.10000E+01 volume  0.19800E+05 ppm1      8.213 ppm2      8.858
 ASSI { 2705}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HN  "))
      3.200     1.300     1.300 peak  2705 weight  0.10000E+01 volume  0.78560E+05 ppm1      7.657 ppm2      8.704
 ASSI { 2706}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HN  "))
      2.800     1.000     1.000 peak  2706 weight  0.10000E+01 volume  0.18180E+06 ppm1      7.657 ppm2      7.848
 ASSI { 2708}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HN  "))
      4.000     2.000     2.000 peak  2708 weight  0.10000E+01 volume  0.19730E+05 ppm1      7.644 ppm2      8.041
 ASSI { 2709}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HN  "))
      3.900     1.900     1.900 peak  2709 weight  0.10000E+01 volume  0.23770E+05 ppm1      7.717 ppm2      8.348
 ASSI { 2718}
   (( segid "    " and resid "60  " and name "HD22"))
   (( segid "    " and resid "60  " and name "HD21"))
      6.000     6.000     1.000 peak  2718 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.599 ppm2      7.839
 ASSI { 2727}
   (( segid "    " and resid "43  " and name "HE22"))
   (( segid "    " and resid "43  " and name "HE21"))
      6.000     6.000     1.000 peak  2727 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.906 ppm2      7.635
 ASSI { 2736}
   (( segid "    " and resid "60  " and name "HB2 "))
   (( segid "    " and resid "60  " and name "HD22"))
      2.800     1.000     1.000 peak  2736 weight  0.10000E+01 volume  0.18660E+06 ppm1      3.717 ppm2      7.604
 ASSI { 2737}
   (( segid "    " and resid "60  " and name "HB2 "))
   (( segid "    " and resid "60  " and name "HD21"))
      3.400     1.400     1.400 peak  2737 weight  0.10000E+01 volume  0.50970E+05 ppm1      3.720 ppm2      7.841
 ASSI { 2738}
   (( segid "    " and resid "60  " and name "HB3 "))
   (( segid "    " and resid "60  " and name "HD22"))
      2.700     0.900     0.900 peak  2738 weight  0.10000E+01 volume  0.21160E+06 ppm1      2.807 ppm2      7.608
 ASSI { 2739}
   (( segid "    " and resid "60  " and name "HB3 "))
   (( segid "    " and resid "60  " and name "HD21"))
      3.700     1.700     1.700 peak  2739 weight  0.10000E+01 volume  0.33380E+05 ppm1      2.807 ppm2      7.837
 ASSI { 2740}
   (( segid "    " and resid "43  " and name "HG2 "))
   (( segid "    " and resid "43  " and name "HE22"))
      3.800     1.800     1.800 peak  2740 weight  0.10000E+01 volume  0.27770E+05 ppm1      2.417 ppm2      6.906
 ASSI { 2741}
   (( segid "    " and resid "43  " and name "HG3 "))
   (( segid "    " and resid "43  " and name "HE22"))
      3.600     1.600     1.600 peak  2741 weight  0.10000E+01 volume  0.36470E+05 ppm1      2.287 ppm2      6.906
 ASSI { 2742}
   (( segid "    " and resid "43  " and name "HG2 "))
   (( segid "    " and resid "43  " and name "HE21"))
      3.300     1.400     1.400 peak  2742 weight  0.10000E+01 volume  0.62440E+05 ppm1      2.417 ppm2      7.634
 ASSI { 2743}
   (( segid "    " and resid "43  " and name "HG3 "))
   (( segid "    " and resid "43  " and name "HE21"))
      3.300     1.400     1.400 peak  2743 weight  0.10000E+01 volume  0.67980E+05 ppm1      2.287 ppm2      7.634
 ASSI { 2746}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HN  "))
      3.700     1.700     1.700 peak  2746 weight  0.10000E+01 volume  0.33770E+05 ppm1      6.765 ppm2      7.848
 ASSI { 2748}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HN  "))
      4.100     2.100     2.100 peak  2748 weight  0.10000E+01 volume  0.17670E+05 ppm1      7.385 ppm2      8.716
 ASSI { 2749}
   (( segid "    " and resid "37  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HN  "))
      3.600     1.600     1.600 peak  2749 weight  0.10000E+01 volume  0.36290E+05 ppm1      7.738 ppm2      8.332
 ASSI { 2750}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "38  " and name "HN  "))
      3.000     1.100     1.100 peak  2750 weight  0.10000E+01 volume  0.10580E+06 ppm1      7.385 ppm2      7.639
 ASSI { 2762}
   (( segid "    " and resid "36  " and name "HE22"))
   (( segid "    " and resid "36  " and name "HE21"))
      1.700     0.400     0.500 peak  2762 weight  0.10000E+01 volume  0.35370E+07 ppm1      6.944 ppm2      7.309
 ASSI { 2764}
   (( segid "    " and resid "36  " and name "HA  "))
   (( segid "    " and resid "36  " and name "HE21"))
      3.900     1.900     1.900 peak  2764 weight  0.10000E+01 volume  0.21960E+05 ppm1      4.281 ppm2      7.309
 ASSI { 2765}
   (( segid "    " and resid "36  " and name "HA  "))
   (( segid "    " and resid "36  " and name "HE22"))
      4.800     2.900     2.200 peak  2765 weight  0.10000E+01 volume  0.66300E+04 ppm1      4.289 ppm2      6.945
 ASSI { 2766}
   (( segid "    " and resid "36  " and name "HG3 "))
   (( segid "    " and resid "36  " and name "HE21"))
      2.500     0.800     0.800 peak  2766 weight  0.10000E+01 volume  0.30990E+06 ppm1      2.800 ppm2      7.309
 ASSI { 2767}
   (( segid "    " and resid "36  " and name "HG2 "))
   (( segid "    " and resid "36  " and name "HE22"))
      3.100     1.200     1.200 peak  2767 weight  0.10000E+01 volume  0.90720E+05 ppm1      2.795 ppm2      6.945
 OR { 2767}
   (( segid "    " and resid "36  " and name "HG3 "))
   (( segid "    " and resid "36  " and name "HE22"))
 ASSI { 2768}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HE22"))
      3.700     1.700     1.700 peak  2768 weight  0.10000E+01 volume  0.30590E+05 ppm1      2.483 ppm2      6.947
 ASSI { 2769}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HE21"))
      2.800     1.000     1.000 peak  2769 weight  0.10000E+01 volume  0.18160E+06 ppm1      2.483 ppm2      7.309
 ASSI { 2770}
   (( segid "    " and resid "36  " and name "HB3 "))
   (( segid "    " and resid "36  " and name "HE21"))
      3.400     1.400     1.400 peak  2770 weight  0.10000E+01 volume  0.54200E+05 ppm1      2.242 ppm2      7.309
 ASSI { 2772}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HN  "))
      3.600     1.600     1.600 peak  2772 weight  0.10000E+01 volume  0.37800E+05 ppm1      7.757 ppm2      8.718
 ASSI { 2774}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HN  "))
      6.000     6.000     1.000 peak  2774 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.760 ppm2      8.132
 ASSI { 2776}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HN  "))
      4.200     2.200     2.200 peak  2776 weight  0.10000E+01 volume  0.15930E+05 ppm1      7.260 ppm2      9.068
 ASSI { 2780}
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
   (( segid "    " and resid "24  " and name "HN  "))
      3.400     1.400     1.400 peak  2780 weight  0.10000E+01 volume  0.54370E+05 ppm1      7.275 ppm2      9.548
 ASSI { 2792}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HN  "))
      3.700     1.700     1.700 peak  2792 weight  0.10000E+01 volume  0.33290E+05 ppm1      7.673 ppm2      8.222
 ASSI { 2793}
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HN  "))
      3.100     1.200     1.200 peak  2793 weight  0.10000E+01 volume  0.85110E+05 ppm1      7.529 ppm2      7.776
 ASSI { 2794}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HN  "))
      4.400     2.400     2.400 peak  2794 weight  0.10000E+01 volume  0.10810E+05 ppm1      7.672 ppm2      8.554
 ASSI { 2795}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HN  "))
      3.800     1.800     1.800 peak  2795 weight  0.10000E+01 volume  0.27200E+05 ppm1      7.770 ppm2      8.847
 ASSI { 2799}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HN  "))
      3.500     1.500     1.500 peak  2799 weight  0.10000E+01 volume  0.43710E+05 ppm1      7.745 ppm2      7.925
 ASSI { 2800}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HN  "))
      3.600     1.600     1.600 peak  2800 weight  0.10000E+01 volume  0.35730E+05 ppm1      8.245 ppm2      8.521
 ASSI { 2801}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HN  "))
      2.600     0.800     0.800 peak  2801 weight  0.10000E+01 volume  0.29780E+06 ppm1      7.992 ppm2      8.246
 ASSI { 2804}
   (( segid "    " and resid "57  " and name "HH22"))
   (( segid "    " and resid "57  " and name "HE  "))
      6.000     6.000     1.000 peak  2804 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.481 ppm2      6.884
 OR { 2804}
   (( segid "    " and resid "57  " and name "HH21"))
   (( segid "    " and resid "57  " and name "HE  "))
 ASSI { 2805}
   (( segid "    " and resid "57  " and name "HD2 "))
   (( segid "    " and resid "57  " and name "HH22"))
      2.800     2.800     4.200 peak  2805 weight  0.10000E+01 volume  0.19060E+06 ppm1      2.799 ppm2      6.483
 OR { 2805}
   (( segid "    " and resid "57  " and name "HD2 "))
   (( segid "    " and resid "57  " and name "HH21"))
 ASSI { 2806}
   (( segid "    " and resid "57  " and name "HD3 "))
   (( segid "    " and resid "57  " and name "HH21"))
      3.100     1.200     1.200 peak  2806 weight  0.10000E+01 volume  0.86960E+05 ppm1      2.683 ppm2      6.483
 OR { 2806}
   (( segid "    " and resid "57  " and name "HD3 "))
   (( segid "    " and resid "57  " and name "HH22"))
 ASSI { 2807}
   (( segid "    " and resid "57  " and name "HG3 "))
   (( segid "    " and resid "57  " and name "HH21"))
      3.600     1.600     1.600 peak  2807 weight  0.10000E+01 volume  0.39210E+05 ppm1      0.709 ppm2      6.483
 OR { 2807}
   (( segid "    " and resid "57  " and name "HG3 "))
   (( segid "    " and resid "57  " and name "HH22"))
 ASSI { 2819}
   (( segid "    " and resid "10  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HZ  "))
      3.500     1.500     1.500 peak  2819 weight  0.10000E+01 volume  0.47790E+05 ppm1      1.337 ppm2      7.077
 ASSI { 2820}
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
   (( segid "    " and resid "38  " and name "HZ  "))
      2.400     0.700     0.700 peak  2820 weight  0.10000E+01 volume  0.44790E+06 ppm1      1.508 ppm2      7.071
 ASSI { 2821}
   (( segid "    " and resid "9   " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HZ  "))
      2.500     0.800     0.800 peak  2821 weight  0.10000E+01 volume  0.35800E+06 ppm1      2.373 ppm2      7.069
 OR { 2821}
   (( segid "    " and resid "9   " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HZ  "))
 ASSI { 2822}
   (( segid "    " and resid "7   " and name "HG2 "))
   (( segid "    " and resid "38  " and name "HZ  "))
      3.100     3.100     3.900 peak  2822 weight  0.10000E+01 volume  0.91620E+05 ppm1      2.447 ppm2      7.071
 OR { 2822}
   (( segid "    " and resid "7   " and name "HG3 "))
   (( segid "    " and resid "38  " and name "HZ  "))
 ASSI { 2823}
   (( segid "    " and resid "9   " and name "HG2 "))
   (( segid "    " and resid "38  " and name "HZ  "))
      3.400     1.400     1.400 peak  2823 weight  0.10000E+01 volume  0.56680E+05 ppm1      2.524 ppm2      7.074
 OR { 2823}
   (( segid "    " and resid "9   " and name "HG3 "))
   (( segid "    " and resid "38  " and name "HZ  "))
 ASSI { 2824}
   (( segid "    " and resid "10  " and name "HA  "))
   (( segid "    " and resid "38  " and name "HZ  "))
      2.600     0.800     0.800 peak  2824 weight  0.10000E+01 volume  0.25380E+06 ppm1      3.302 ppm2      7.072
 ASSI { 2825}
   (( segid "    " and resid "9   " and name "HA  "))
   (( segid "    " and resid "38  " and name "HZ  "))
      3.500     1.500     1.500 peak  2825 weight  0.10000E+01 volume  0.45550E+05 ppm1      4.201 ppm2      7.074
 ASSI { 2827}
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
   (( segid "    " and resid "26  " and name "HN  "))
      3.100     1.200     1.200 peak  2827 weight  0.10000E+01 volume  0.89550E+05 ppm1      6.584 ppm2      9.628
 ASSI { 2828}
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
   (( segid "    " and resid "26  " and name "HN  "))
      4.900     3.000     2.100 peak  2828 weight  0.10000E+01 volume  0.59250E+04 ppm1      6.832 ppm2      9.629
 ASSI { 2830}
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
   (( segid "    " and resid "24  " and name "HN  "))
      5.000     3.100     2.000 peak  2830 weight  0.10000E+01 volume  0.52450E+04 ppm1      6.834 ppm2      9.541
 ASSI { 2831}
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
   (( segid "    " and resid "68  " and name "HN  "))
      3.100     1.200     1.200 peak  2831 weight  0.10000E+01 volume  0.85510E+05 ppm1      6.836 ppm2      9.104
 ASSI { 2834}
   (( segid "    " and resid "26  " and name "HE21"))
   (( segid "    " and resid "47  " and name "HN  "))
      4.500     2.500     2.500 peak  2834 weight  0.10000E+01 volume  0.97350E+04 ppm1      6.897 ppm2      8.858
 ASSI { 2835}
   (( segid "    " and resid "14  " and name "HZ  "))
   (( segid "    " and resid "50  " and name "HN  "))
      3.100     1.200     1.200 peak  2835 weight  0.10000E+01 volume  0.10090E+06 ppm1      6.955 ppm2      8.704
 ASSI { 2836}
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
   (( segid "    " and resid "50  " and name "HN  "))
      3.600     1.600     1.600 peak  2836 weight  0.10000E+01 volume  0.37410E+05 ppm1      7.007 ppm2      8.704
 ASSI { 2838}
   (( segid "    " and resid "38  " and name "HZ  "))
   (( segid "    " and resid "14  " and name "HN  "))
      5.600     3.900     1.400 peak  2838 weight  0.10000E+01 volume  0.26290E+04 ppm1      7.075 ppm2      8.847
 ASSI { 2840}
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
   (( segid "    " and resid "68  " and name "HN  "))
      5.500     3.800     1.500 peak  2840 weight  0.10000E+01 volume  0.29330E+04 ppm1      6.592 ppm2      9.102
 ASSI { 2841}
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
   (( segid "    " and resid "27  " and name "HN  "))
      5.400     3.600     1.600 peak  2841 weight  0.10000E+01 volume  0.33800E+04 ppm1      6.587 ppm2      9.071
 ASSI { 2842}
   (( segid "    " and resid "43  " and name "HE21"))
   (( segid "    " and resid "27  " and name "HN  "))
      5.000     3.100     2.000 peak  2842 weight  0.10000E+01 volume  0.51960E+04 ppm1      7.632 ppm2      9.069
 ASSI { 2844}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HN  "))
      4.800     2.900     2.200 peak  2844 weight  0.10000E+01 volume  0.65610E+04 ppm1      8.127 ppm2      9.068
 ASSI { 2845}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HN  "))
      5.000     3.100     2.000 peak  2845 weight  0.10000E+01 volume  0.53090E+04 ppm1      8.203 ppm2      9.103
 ASSI { 2847}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HN  "))
      5.400     3.600     1.600 peak  2847 weight  0.10000E+01 volume  0.35010E+04 ppm1      8.308 ppm2      9.101
 ASSI { 2848}
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
   (( segid "    " and resid "34  " and name "HN  "))
      4.700     2.800     2.300 peak  2848 weight  0.10000E+01 volume  0.81410E+04 ppm1      7.451 ppm2      8.715
 ASSI { 2849}
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
   (( segid "    " and resid "40  " and name "HN  "))
      5.300     3.500     1.700 peak  2849 weight  0.10000E+01 volume  0.38370E+04 ppm1      7.451 ppm2      8.775
 ASSI { 2850}
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
   (( segid "    " and resid "50  " and name "HN  "))
      5.000     3.100     2.000 peak  2850 weight  0.10000E+01 volume  0.55300E+04 ppm1      7.511 ppm2      8.701
 ASSI { 2851}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HN  "))
      4.500     2.500     2.500 peak  2851 weight  0.10000E+01 volume  0.10340E+05 ppm1      7.407 ppm2      8.736
 ASSI { 2852}
   (( segid "    " and resid "60  " and name "HD21"))
   (( segid "    " and resid "60  " and name "HN  "))
      5.000     3.100     2.000 peak  2852 weight  0.10000E+01 volume  0.51430E+04 ppm1      7.832 ppm2      8.733
 ASSI { 2853}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HN  "))
      5.400     3.600     1.600 peak  2853 weight  0.10000E+01 volume  0.32090E+04 ppm1      7.989 ppm2      8.841
 ASSI { 2854}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HN  "))
      2.400     0.700     0.700 peak  2854 weight  0.10000E+01 volume  0.38540E+06 ppm1      8.240 ppm2      8.700
 ASSI { 2855}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HN  "))
      5.500     3.800     1.500 peak  2855 weight  0.10000E+01 volume  0.29180E+04 ppm1      8.376 ppm2      8.863
 ASSI { 2857}
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
   (( segid "    " and resid "57  " and name "HN  "))
      5.000     3.100     2.000 peak  2857 weight  0.10000E+01 volume  0.55240E+04 ppm1      6.584 ppm2      8.322
 ASSI { 2858}
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
   (( segid "    " and resid "25  " and name "HN  "))
      3.700     1.700     1.700 peak  2858 weight  0.10000E+01 volume  0.35090E+05 ppm1      6.586 ppm2      7.998
 ASSI { 2859}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HN  "))
      5.100     3.300     1.900 peak  2859 weight  0.10000E+01 volume  0.47100E+04 ppm1      6.756 ppm2      8.388
 ASSI { 2860}
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
   (( segid "    " and resid "15  " and name "HN  "))
      3.200     1.300     1.300 peak  2860 weight  0.10000E+01 volume  0.83420E+05 ppm1      6.787 ppm2      8.553
 ASSI { 2861}
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
   (( segid "    " and resid "56  " and name "HN  "))
      3.900     1.900     1.900 peak  2861 weight  0.10000E+01 volume  0.22910E+05 ppm1      6.833 ppm2      8.547
 ASSI { 2862}
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
   (( segid "    " and resid "15  " and name "HN  "))
      5.800     4.200     1.200 peak  2862 weight  0.10000E+01 volume  0.22470E+04 ppm1      7.008 ppm2      8.554
 ASSI { 2863}
   (( segid "    " and resid "42  " and name "HD22"))
   (( segid "    " and resid "44  " and name "HN  "))
      5.000     3.100     2.000 peak  2863 weight  0.10000E+01 volume  0.50200E+04 ppm1      6.932 ppm2      8.385
 ASSI { 2864}
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
   (( segid "    " and resid "57  " and name "HN  "))
      4.600     2.600     2.400 peak  2864 weight  0.10000E+01 volume  0.84590E+04 ppm1      6.832 ppm2      8.322
 ASSI { 2865}
   (( segid "    " and resid "7   " and name "HE22"))
   (( segid "    " and resid "39  " and name "HN  "))
      4.200     2.200     2.200 peak  2865 weight  0.10000E+01 volume  0.14890E+05 ppm1      6.819 ppm2      8.296
 ASSI { 2866}
   (( segid "    " and resid "42  " and name "HD22"))
   (( segid "    " and resid "45  " and name "HN  "))
      4.400     2.400     2.400 peak  2866 weight  0.10000E+01 volume  0.11350E+05 ppm1      6.930 ppm2      8.212
 ASSI { 2867}
   (( segid "    " and resid "38  " and name "HZ  "))
   (( segid "    " and resid "9   " and name "HN  "))
      4.700     2.800     2.300 peak  2867 weight  0.10000E+01 volume  0.76630E+04 ppm1      7.068 ppm2      8.247
 ASSI { 2868}
   (( segid "    " and resid "38  " and name "HZ  "))
   (( segid "    " and resid "13  " and name "HN  "))
      3.800     1.800     1.800 peak  2868 weight  0.10000E+01 volume  0.28210E+05 ppm1      7.067 ppm2      8.166
 ASSI { 2870}
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
   (( segid "    " and resid "53  " and name "HN  "))
      4.200     2.200     2.200 peak  2870 weight  0.10000E+01 volume  0.14910E+05 ppm1      7.011 ppm2      8.038
 ASSI { 2871}
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
   (( segid "    " and resid "25  " and name "HN  "))
      3.900     1.900     1.900 peak  2871 weight  0.10000E+01 volume  0.24840E+05 ppm1      6.834 ppm2      7.997
 ASSI { 2872}
   (( segid "    " and resid "14  " and name "HZ  "))
   (( segid "    " and resid "49  " and name "HN  "))
      4.800     2.900     2.200 peak  2872 weight  0.10000E+01 volume  0.68760E+04 ppm1      6.951 ppm2      7.927
 ASSI { 2873}
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
   (( segid "    " and resid "49  " and name "HN  "))
      4.900     3.000     2.100 peak  2873 weight  0.10000E+01 volume  0.58330E+04 ppm1      7.007 ppm2      7.933
 ASSI { 2874}
   (( segid "    " and resid "38  " and name "HZ  "))
   (( segid "    " and resid "10  " and name "HN  "))
      3.800     1.800     1.800 peak  2874 weight  0.10000E+01 volume  0.26750E+05 ppm1      7.067 ppm2      7.924
 ASSI { 2876}
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
   (( segid "    " and resid "67  " and name "HN  "))
      5.200     3.400     1.800 peak  2876 weight  0.10000E+01 volume  0.40990E+04 ppm1      7.265 ppm2      8.473
 ASSI { 2877}
   (( segid "    " and resid "53  " and name "HZ  "))
   (( segid "    " and resid "15  " and name "HN  "))
      5.500     3.800     1.500 peak  2877 weight  0.10000E+01 volume  0.28520E+04 ppm1      7.337 ppm2      8.557
 ASSI { 2879}
   (( segid "    " and resid "60  " and name "HD22"))
   (( segid "    " and resid "61  " and name "HN  "))
      4.100     2.100     2.100 peak  2879 weight  0.10000E+01 volume  0.18600E+05 ppm1      7.596 ppm2      8.485
 ASSI { 2880}
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
   (( segid "    " and resid "39  " and name "HN  "))
      3.500     1.500     1.500 peak  2880 weight  0.10000E+01 volume  0.47140E+05 ppm1      7.447 ppm2      8.296
 ASSI { 2881}
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
   (( segid "    " and resid "52  " and name "HN  "))
      4.300     2.300     2.300 peak  2881 weight  0.10000E+01 volume  0.13880E+05 ppm1      7.508 ppm2      8.353
 ASSI { 2882}
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
   (( segid "    " and resid "9   " and name "HN  "))
      3.500     1.500     1.500 peak  2882 weight  0.10000E+01 volume  0.47380E+05 ppm1      7.249 ppm2      8.248
 ASSI { 2883}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HN  "))
      3.800     1.800     1.800 peak  2883 weight  0.10000E+01 volume  0.25840E+05 ppm1      7.743 ppm2      8.240
 ASSI { 2885}
   (( segid "    " and resid "34  " and name "HE21"))
   (( segid "    " and resid "41  " and name "HN  "))
      3.400     1.400     1.400 peak  2885 weight  0.10000E+01 volume  0.58110E+05 ppm1      7.199 ppm2      8.117
 ASSI { 2890}
   (( segid "    " and resid "60  " and name "HD22"))
   (( segid "    " and resid "64  " and name "HN  "))
      3.600     1.600     1.600 peak  2890 weight  0.10000E+01 volume  0.36210E+05 ppm1      7.599 ppm2      8.007
 ASSI { 2892}
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
   (( segid "    " and resid "37  " and name "HN  "))
      3.000     1.100     1.100 peak  2892 weight  0.10000E+01 volume  0.11520E+06 ppm1      7.450 ppm2      7.742
 ASSI { 2894}
   (( segid "    " and resid "14  " and name "HZ  "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.700     1.700     1.700 peak  2894 weight  0.10000E+01 volume  0.33330E+05 ppm1      6.956 ppm2      7.517
 ASSI { 2898}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HN  "))
      3.000     1.100     1.100 peak  2898 weight  0.10000E+01 volume  0.11010E+06 ppm1      4.334 ppm2      9.068
 ASSI { 2899}
   (( segid "    " and resid "66  " and name "HA  "))
   (( segid "    " and resid "24  " and name "HN  "))
      5.100     3.300     1.900 peak  2899 weight  0.10000E+01 volume  0.49970E+04 ppm1      4.582 ppm2      9.546
 ASSI { 2901}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "58  " and name "HN  "))
      4.000     2.000     2.000 peak  2901 weight  0.10000E+01 volume  0.19810E+05 ppm1      4.713 ppm2      8.927
 ASSI { 2902}
   (( segid "    " and resid "66  " and name "HA  "))
   (( segid "    " and resid "58  " and name "HN  "))
      4.800     2.900     2.200 peak  2902 weight  0.10000E+01 volume  0.66260E+04 ppm1      4.577 ppm2      8.924
 ASSI { 2903}
   (( segid "    " and resid "45  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HN  "))
      3.600     1.600     1.600 peak  2903 weight  0.10000E+01 volume  0.40210E+05 ppm1      3.999 ppm2      8.861
 ASSI { 2904}
   (( segid "    " and resid "63  " and name "HA  "))
   (( segid "    " and resid "60  " and name "HN  "))
      3.600     1.600     1.600 peak  2904 weight  0.10000E+01 volume  0.37280E+05 ppm1      3.952 ppm2      8.736
 ASSI { 2905}
   (( segid "    " and resid "19  " and name "HA  "))
   (( segid "    " and resid "69  " and name "HN  "))
      3.400     1.400     1.400 peak  2905 weight  0.10000E+01 volume  0.53200E+05 ppm1      4.274 ppm2      8.654
 ASSI { 2906}
   (( segid "    " and resid "6   " and name "HA  "))
   (( segid "    " and resid "8   " and name "HN  "))
      3.100     1.200     1.200 peak  2906 weight  0.10000E+01 volume  0.90940E+05 ppm1      4.334 ppm2      8.702
 ASSI { 2908}
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HN  "))
      3.300     1.400     1.400 peak  2908 weight  0.10000E+01 volume  0.59130E+05 ppm1      3.603 ppm2      8.860
 ASSI { 2909}
   (( segid "    " and resid "57  " and name "HA  "))
   (( segid "    " and resid "66  " and name "HN  "))
      3.900     1.900     1.900 peak  2909 weight  0.10000E+01 volume  0.22690E+05 ppm1      5.086 ppm2      8.778
 ASSI { 2910}
   (( segid "    " and resid "57  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HN  "))
      3.100     1.200     1.200 peak  2910 weight  0.10000E+01 volume  0.97980E+05 ppm1      5.086 ppm2      9.107
 ASSI { 2911}
   (( segid "    " and resid "25  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HN  "))
      3.700     1.700     1.700 peak  2911 weight  0.10000E+01 volume  0.33990E+05 ppm1      5.284 ppm2      9.071
 ASSI { 2912}
   (( segid "    " and resid "28  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HN  "))
      3.600     3.600     3.400 peak  2912 weight  0.10000E+01 volume  0.35600E+05 ppm1      4.176 ppm2      9.069
 ASSI { 2914}
   (( segid "    " and resid "68  " and name "HB3 "))
   (( segid "    " and resid "58  " and name "HN  "))
      3.700     1.700     1.700 peak  2914 weight  0.10000E+01 volume  0.30340E+05 ppm1      2.857 ppm2      8.919
 ASSI { 2917}
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "24  " and name "HN  "))
      3.300     1.400     1.400 peak  2917 weight  0.10000E+01 volume  0.59570E+05 ppm1      2.476 ppm2      9.548
 ASSI { 2919}
   (( segid "    " and resid "38  " and name "HB2 "))
   (( segid "    " and resid "40  " and name "HN  "))
      4.100     2.100     2.100 peak  2919 weight  0.10000E+01 volume  0.18740E+05 ppm1      3.004 ppm2      8.777
 ASSI { 2920}
   (( segid "    " and resid "59  " and name "HD3 "))
   (( segid "    " and resid "60  " and name "HN  "))
      4.400     2.400     2.400 peak  2920 weight  0.10000E+01 volume  0.10960E+05 ppm1      3.041 ppm2      8.734
 OR { 2920}
   (( segid "    " and resid "59  " and name "HD2 "))
   (( segid "    " and resid "60  " and name "HN  "))
 ASSI { 2921}
   (( segid "    " and resid "30  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HN  "))
      3.800     1.800     1.800 peak  2921 weight  0.10000E+01 volume  0.25600E+05 ppm1      3.203 ppm2      8.714
 ASSI { 2922}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "50  " and name "HN  "))
      3.500     1.500     1.500 peak  2922 weight  0.10000E+01 volume  0.47750E+05 ppm1      3.430 ppm2      8.704
 ASSI { 2923}
   (( segid "    " and resid "10  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HN  "))
      3.300     1.400     1.400 peak  2923 weight  0.10000E+01 volume  0.66000E+05 ppm1      3.298 ppm2      8.843
 ASSI { 2924}
   (( segid "    " and resid "26  " and name "HG2 "))
   (( segid "    " and resid "27  " and name "HN  "))
      4.100     2.100     2.100 peak  2924 weight  0.10000E+01 volume  0.18720E+05 ppm1      2.593 ppm2      9.066
 OR { 2924}
   (( segid "    " and resid "26  " and name "HG3 "))
   (( segid "    " and resid "27  " and name "HN  "))
 ASSI { 2925}
   (( segid "    " and resid "43  " and name "HG2 "))
   (( segid "    " and resid "27  " and name "HN  "))
      3.900     1.900     1.900 peak  2925 weight  0.10000E+01 volume  0.22500E+05 ppm1      2.419 ppm2      9.071
 ASSI { 2926}
   (( segid "    " and resid "21  " and name "HG3 "))
   (( segid "    " and resid "69  " and name "HN  "))
      3.500     1.500     1.500 peak  2926 weight  0.10000E+01 volume  0.45890E+05 ppm1      2.331 ppm2      8.652
 ASSI { 2927}
   (( segid "    " and resid "65  " and name "HG3 "))
   (( segid "    " and resid "66  " and name "HN  "))
      3.700     1.700     1.700 peak  2927 weight  0.10000E+01 volume  0.31370E+05 ppm1      2.356 ppm2      8.779
 ASSI { 2928}
   (( segid "    " and resid "30  " and name "HB  "))
   (( segid "    " and resid "27  " and name "HN  "))
      4.200     2.200     2.200 peak  2928 weight  0.10000E+01 volume  0.15800E+05 ppm1      2.218 ppm2      9.067
 ASSI { 2929}
   (( segid "    " and resid "43  " and name "HG3 "))
   (( segid "    " and resid "27  " and name "HN  "))
      4.400     2.400     2.400 peak  2929 weight  0.10000E+01 volume  0.11020E+05 ppm1      2.276 ppm2      9.069
 ASSI { 2930}
   (( segid "    " and resid "41  " and name "HB  "))
   (( segid "    " and resid "40  " and name "HN  "))
      4.700     2.800     2.300 peak  2930 weight  0.10000E+01 volume  0.73070E+04 ppm1      1.962 ppm2      8.777
 ASSI { 2933}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "68  " and name "HN  "))
      3.200     1.300     1.300 peak  2933 weight  0.10000E+01 volume  0.75050E+05 ppm1      1.453 ppm2      9.107
 ASSI { 2934}
   (( segid "    " and resid "59  " and name "HG3 "))
   (( segid "    " and resid "60  " and name "HN  "))
      3.000     1.100     1.100 peak  2934 weight  0.10000E+01 volume  0.10600E+06 ppm1      1.574 ppm2      8.732
 OR { 2934}
   (( segid "    " and resid "59  " and name "HG2 "))
   (( segid "    " and resid "60  " and name "HN  "))
 ASSI { 2936}
   (( segid "    " and resid "19  " and name "HG2 "))
   (( segid "    " and resid "69  " and name "HN  "))
      2.700     0.900     0.900 peak  2936 weight  0.10000E+01 volume  0.20790E+06 ppm1      1.609 ppm2      8.652
 ASSI { 2938}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "26  " and name "HN  "))
      4.200     2.200     2.200 peak  2938 weight  0.10000E+01 volume  0.15110E+05 ppm1      0.466 ppm2      9.632
 ASSI { 2940}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "34  " and name "HN  "))
      4.200     2.200     2.200 peak  2940 weight  0.10000E+01 volume  0.16160E+05 ppm1      0.801 ppm2      8.715
 ASSI { 2941}
   (( segid "    " and resid "58  " and name "HG21")
     OR 
    ( segid "    " and resid "58  " and name "HG23")
     OR 
    ( segid "    " and resid "58  " and name "HG22"))
   (( segid "    " and resid "66  " and name "HN  "))
      4.600     2.600     2.400 peak  2941 weight  0.10000E+01 volume  0.82440E+04 ppm1      1.016 ppm2      8.776
 ASSI { 2942}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "40  " and name "HN  "))
      3.500     3.500     3.500 peak  2942 weight  0.10000E+01 volume  0.42040E+05 ppm1      0.935 ppm2      8.779
 ASSI { 2943}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "47  " and name "HN  "))
      2.900     1.100     1.100 peak  2943 weight  0.10000E+01 volume  0.12980E+06 ppm1      0.944 ppm2      8.859
 ASSI { 2944}
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
   (( segid "    " and resid "47  " and name "HN  "))
      3.100     1.200     1.200 peak  2944 weight  0.10000E+01 volume  0.89760E+05 ppm1      0.902 ppm2      8.860
 ASSI { 2946}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "58  " and name "HN  "))
      4.200     2.200     2.200 peak  2946 weight  0.10000E+01 volume  0.15700E+05 ppm1      0.754 ppm2      8.925
 ASSI { 2947}
   (( segid "    " and resid "57  " and name "HG3 "))
   (( segid "    " and resid "58  " and name "HN  "))
      4.200     2.200     2.200 peak  2947 weight  0.10000E+01 volume  0.14490E+05 ppm1      0.695 ppm2      8.924
 ASSI { 2949}
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
   (( segid "    " and resid "40  " and name "HN  "))
      4.500     2.500     2.500 peak  2949 weight  0.10000E+01 volume  0.10470E+05 ppm1      0.728 ppm2      8.772
 ASSI { 2950}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HN  "))
      3.300     1.400     1.400 peak  2950 weight  0.10000E+01 volume  0.67720E+05 ppm1      0.572 ppm2      8.842
 ASSI { 2951}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "47  " and name "HN  "))
      3.400     1.400     1.400 peak  2951 weight  0.10000E+01 volume  0.52020E+05 ppm1      0.461 ppm2      8.858
 ASSI { 2952}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HN  "))
      3.500     1.500     1.500 peak  2952 weight  0.10000E+01 volume  0.44490E+05 ppm1      0.257 ppm2      8.843
 ASSI { 2953}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "68  " and name "HN  "))
      3.300     1.400     1.400 peak  2953 weight  0.10000E+01 volume  0.63950E+05 ppm1      0.419 ppm2      9.104
 ASSI { 2955}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "68  " and name "HN  "))
      3.900     1.900     1.900 peak  2955 weight  0.10000E+01 volume  0.24320E+05 ppm1      0.648 ppm2      9.103
 ASSI { 2956}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "68  " and name "HN  "))
      2.900     1.100     1.100 peak  2956 weight  0.10000E+01 volume  0.13560E+06 ppm1      0.762 ppm2      9.102
 ASSI { 2957}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "43  " and name "HN  "))
      2.900     1.100     1.100 peak  2957 weight  0.10000E+01 volume  0.14040E+06 ppm1      0.846 ppm2      9.103
 ASSI { 2960}
   (( segid "    " and resid "58  " and name "HG21")
     OR 
    ( segid "    " and resid "58  " and name "HG23")
     OR 
    ( segid "    " and resid "58  " and name "HG22"))
   (( segid "    " and resid "68  " and name "HN  "))
      3.800     1.800     1.800 peak  2960 weight  0.10000E+01 volume  0.29230E+05 ppm1      1.008 ppm2      9.103
 ASSI { 2961}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "43  " and name "HN  "))
      3.400     1.400     1.400 peak  2961 weight  0.10000E+01 volume  0.50560E+05 ppm1      0.806 ppm2      9.103
 ASSI { 2963}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "58  " and name "HN  "))
      4.000     2.000     2.000 peak  2963 weight  0.10000E+01 volume  0.18920E+05 ppm1      1.069 ppm2      8.924
 ASSI { 2964}
   (( segid "    " and resid "18  " and name "HB3 "))
   (( segid "    " and resid "69  " and name "HN  "))
      3.300     1.400     1.400 peak  2964 weight  0.10000E+01 volume  0.70380E+05 ppm1      1.188 ppm2      8.651
 ASSI { 2965}
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HN  "))
      3.400     1.400     1.400 peak  2965 weight  0.10000E+01 volume  0.51790E+05 ppm1      0.657 ppm2      8.841
 ASSI { 2967}
   (( segid "    " and resid "57  " and name "HG3 "))
   (( segid "    " and resid "68  " and name "HN  "))
      4.300     2.300     2.300 peak  2967 weight  0.10000E+01 volume  0.13930E+05 ppm1      0.703 ppm2      9.103
 ASSI { 2968}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "69  " and name "HN  "))
      4.100     2.100     2.100 peak  2968 weight  0.10000E+01 volume  0.16560E+05 ppm1      0.478 ppm2      8.656
 ASSI { 2969}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "69  " and name "HN  "))
      4.100     2.100     2.100 peak  2969 weight  0.10000E+01 volume  0.16660E+05 ppm1      0.416 ppm2      8.656
 ASSI { 2970}
   (( segid "    " and resid "67  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HN  "))
      4.300     2.300     2.300 peak  2970 weight  0.10000E+01 volume  0.12570E+05 ppm1      4.965 ppm2      8.551
 ASSI { 2971}
   (( segid "    " and resid "68  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HN  "))
      4.000     2.000     2.000 peak  2971 weight  0.10000E+01 volume  0.19900E+05 ppm1      5.187 ppm2      7.918
 ASSI { 2974}
   (( segid "    " and resid "57  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HN  "))
      4.900     3.000     2.100 peak  2974 weight  0.10000E+01 volume  0.59780E+04 ppm1      5.084 ppm2      8.474
 ASSI { 2975}
   (( segid "    " and resid "67  " and name "HA  "))
   (( segid "    " and resid "57  " and name "HN  "))
      4.900     3.000     2.100 peak  2975 weight  0.10000E+01 volume  0.62840E+04 ppm1      4.968 ppm2      8.320
 ASSI { 2977}
   (( segid "    " and resid "68  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HN  "))
      4.000     2.000     2.000 peak  2977 weight  0.10000E+01 volume  0.20180E+05 ppm1      5.187 ppm2      8.556
 ASSI { 2980}
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "45  " and name "HN  "))
      4.000     2.000     2.000 peak  2980 weight  0.10000E+01 volume  0.20630E+05 ppm1      3.603 ppm2      8.214
 ASSI { 2981}
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "30  " and name "HN  "))
      5.200     3.400     1.800 peak  2981 weight  0.10000E+01 volume  0.41100E+04 ppm1      3.606 ppm2      8.135
 ASSI { 2985}
   (( segid "    " and resid "70  " and name "HD3 "))
   (( segid "    " and resid "71  " and name "HN  "))
      4.500     2.500     2.500 peak  2985 weight  0.10000E+01 volume  0.10400E+05 ppm1      3.759 ppm2      8.441
 ASSI { 2986}
   (( segid "    " and resid "23  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HN  "))
      4.300     2.300     2.300 peak  2986 weight  0.10000E+01 volume  0.13480E+05 ppm1      3.046 ppm2      8.473
 ASSI { 2987}
   (( segid "    " and resid "42  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HN  "))
      3.400     1.400     1.400 peak  2987 weight  0.10000E+01 volume  0.58780E+05 ppm1      3.223 ppm2      8.386
 ASSI { 2988}
   (( segid "    " and resid "42  " and name "HB3 "))
   (( segid "    " and resid "44  " and name "HN  "))
      3.700     1.700     1.700 peak  2988 weight  0.10000E+01 volume  0.33580E+05 ppm1      3.021 ppm2      8.386
 ASSI { 2989}
   (( segid "    " and resid "10  " and name "HA  "))
   (( segid "    " and resid "9   " and name "HN  "))
      4.600     2.600     2.400 peak  2989 weight  0.10000E+01 volume  0.92330E+04 ppm1      3.300 ppm2      8.249
 ASSI { 2991}
   (( segid "    " and resid "42  " and name "HB2 "))
   (( segid "    " and resid "45  " and name "HN  "))
      4.000     2.000     2.000 peak  2991 weight  0.10000E+01 volume  0.19140E+05 ppm1      3.210 ppm2      8.211
 ASSI { 2992}
   (( segid "    " and resid "53  " and name "HB2 "))
   (( segid "    " and resid "55  " and name "HN  "))
      4.200     2.200     2.200 peak  2992 weight  0.10000E+01 volume  0.16050E+05 ppm1      3.479 ppm2      8.116
 ASSI { 2993}
   (( segid "    " and resid "14  " and name "HB3 "))
   (( segid "    " and resid "13  " and name "HN  "))
      4.400     2.400     2.400 peak  2993 weight  0.10000E+01 volume  0.12110E+05 ppm1      2.852 ppm2      8.165
 ASSI { 2995}
   (( segid "    " and resid "23  " and name "HB2 "))
   (( segid "    " and resid "22  " and name "HN  "))
      4.500     2.500     2.500 peak  2995 weight  0.10000E+01 volume  0.10430E+05 ppm1      3.040 ppm2      7.933
 ASSI { 2996}
   (( segid "    " and resid "39  " and name "HB3 "))
   (( segid "    " and resid "41  " and name "HN  "))
      4.200     2.200     2.200 peak  2996 weight  0.10000E+01 volume  0.15290E+05 ppm1      2.665 ppm2      8.107
 OR { 2996}
   (( segid "    " and resid "39  " and name "HB2 "))
   (( segid "    " and resid "41  " and name "HN  "))
 ASSI { 2999}
   (( segid "    " and resid "11  " and name "HA  "))
   (( segid "    " and resid "13  " and name "HN  "))
      3.900     1.900     1.900 peak  2999 weight  0.10000E+01 volume  0.24050E+05 ppm1      3.350 ppm2      8.169
 ASSI { 3000}
   (( segid "    " and resid "59  " and name "HD3 "))
   (( segid "    " and resid "63  " and name "HN  "))
      3.700     1.700     1.700 peak  3000 weight  0.10000E+01 volume  0.30400E+05 ppm1      3.041 ppm2      8.253
 OR { 3000}
   (( segid "    " and resid "59  " and name "HD2 "))
   (( segid "    " and resid "63  " and name "HN  "))
 ASSI { 3001}
   (( segid "    " and resid "11  " and name "HA  "))
   (( segid "    " and resid "15  " and name "HN  "))
      3.300     1.400     1.400 peak  3001 weight  0.10000E+01 volume  0.68050E+05 ppm1      3.357 ppm2      8.555
 ASSI { 3002}
   (( segid "    " and resid "34  " and name "HG3 "))
   (( segid "    " and resid "41  " and name "HN  "))
      4.200     2.200     2.200 peak  3002 weight  0.10000E+01 volume  0.14410E+05 ppm1      2.486 ppm2      8.110
 ASSI { 3004}
   (( segid "    " and resid "43  " and name "HG2 "))
   (( segid "    " and resid "44  " and name "HN  "))
      4.600     2.600     2.400 peak  3004 weight  0.10000E+01 volume  0.88320E+04 ppm1      2.417 ppm2      8.388
 ASSI { 3008}
   (( segid "    " and resid "43  " and name "HG3 "))
   (( segid "    " and resid "44  " and name "HN  "))
      3.300     1.400     1.400 peak  3008 weight  0.10000E+01 volume  0.61050E+05 ppm1      2.266 ppm2      8.387
 ASSI { 3011}
   (( segid "    " and resid "9   " and name "HB2 "))
   (( segid "    " and resid "13  " and name "HN  "))
      4.500     2.500     2.500 peak  3011 weight  0.10000E+01 volume  0.93820E+04 ppm1      2.381 ppm2      8.170
 OR { 3011}
   (( segid "    " and resid "9   " and name "HB3 "))
   (( segid "    " and resid "13  " and name "HN  "))
 ASSI { 3012}
   (( segid "    " and resid "7   " and name "HG2 "))
   (( segid "    " and resid "9   " and name "HN  "))
      2.900     1.100     1.100 peak  3012 weight  0.10000E+01 volume  0.15250E+06 ppm1      2.450 ppm2      8.247
 OR { 3012}
   (( segid "    " and resid "7   " and name "HG3 "))
   (( segid "    " and resid "9   " and name "HN  "))
 ASSI { 3014}
   (( segid "    " and resid "70  " and name "HG3 "))
   (( segid "    " and resid "71  " and name "HN  "))
      4.300     2.300     2.300 peak  3014 weight  0.10000E+01 volume  0.13570E+05 ppm1      2.130 ppm2      8.439
 ASSI { 3016}
   (( segid "    " and resid "18  " and name "HG  "))
   (( segid "    " and resid "19  " and name "HN  "))
      4.300     2.300     2.300 peak  3016 weight  0.10000E+01 volume  0.12720E+05 ppm1      1.276 ppm2      8.220
 ASSI { 3019}
   (( segid "    " and resid "52  " and name "HD3 "))
   (( segid "    " and resid "53  " and name "HN  "))
      4.900     3.000     2.100 peak  3019 weight  0.10000E+01 volume  0.60950E+04 ppm1      1.258 ppm2      8.039
 ASSI { 3026}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "67  " and name "HN  "))
      3.300     1.400     1.400 peak  3026 weight  0.10000E+01 volume  0.64410E+05 ppm1      0.643 ppm2      8.475
 ASSI { 3027}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "67  " and name "HN  "))
      3.300     1.400     1.400 peak  3027 weight  0.10000E+01 volume  0.67060E+05 ppm1      0.466 ppm2      8.475
 ASSI { 3028}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "67  " and name "HN  "))
      4.800     2.900     2.200 peak  3028 weight  0.10000E+01 volume  0.67570E+04 ppm1      0.519 ppm2      8.477
 ASSI { 3029}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "67  " and name "HN  "))
      3.600     1.600     1.600 peak  3029 weight  0.10000E+01 volume  0.35200E+05 ppm1      0.422 ppm2      8.475
 ASSI { 3031}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "65  " and name "HN  "))
      4.200     2.200     2.200 peak  3031 weight  0.10000E+01 volume  0.15280E+05 ppm1      0.467 ppm2      8.530
 ASSI { 3038}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "19  " and name "HN  "))
      4.000     2.000     2.000 peak  3038 weight  0.10000E+01 volume  0.21080E+05 ppm1      0.959 ppm2      8.219
 OR { 3038}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "19  " and name "HN  "))
 ASSI { 3039}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "13  " and name "HN  "))
      4.100     2.100     2.100 peak  3039 weight  0.10000E+01 volume  0.18210E+05 ppm1      0.255 ppm2      8.168
 ASSI { 3041}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "64  " and name "HN  "))
      4.300     2.300     2.300 peak  3041 weight  0.10000E+01 volume  0.13230E+05 ppm1      0.465 ppm2      8.008
 ASSI { 3042}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "25  " and name "HN  "))
      4.700     2.800     2.300 peak  3042 weight  0.10000E+01 volume  0.77280E+04 ppm1      0.518 ppm2      8.001
 ASSI { 3043}
   (( segid "    " and resid "52  " and name "HG3 "))
   (( segid "    " and resid "53  " and name "HN  "))
      3.800     1.800     1.800 peak  3043 weight  0.10000E+01 volume  0.26550E+05 ppm1      0.699 ppm2      8.040
 ASSI { 3045}
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
   (( segid "    " and resid "11  " and name "HN  "))
      3.800     1.800     1.800 peak  3045 weight  0.10000E+01 volume  0.29810E+05 ppm1      0.745 ppm2      7.989
 ASSI { 3046}
   (( segid "    " and resid "58  " and name "HG21")
     OR 
    ( segid "    " and resid "58  " and name "HG23")
     OR 
    ( segid "    " and resid "58  " and name "HG22"))
   (( segid "    " and resid "59  " and name "HN  "))
      2.900     1.100     1.100 peak  3046 weight  0.10000E+01 volume  0.14320E+06 ppm1      1.010 ppm2      7.986
 ASSI { 3047}
   (( segid "    " and resid "52  " and name "HG2 "))
   (( segid "    " and resid "53  " and name "HN  "))
      3.600     1.600     1.600 peak  3047 weight  0.10000E+01 volume  0.39530E+05 ppm1      1.014 ppm2      8.039
 ASSI { 3048}
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
   (( segid "    " and resid "30  " and name "HN  "))
      6.000     6.000     1.000 peak  3048 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.921 ppm2      8.136
 OR { 3048}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "30  " and name "HN  "))
 ASSI { 3049}
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
   (( segid "    " and resid "15  " and name "HN  "))
      3.600     1.600     1.600 peak  3049 weight  0.10000E+01 volume  0.39290E+05 ppm1      0.864 ppm2      8.555
 ASSI { 3050}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "57  " and name "HN  "))
      3.200     1.300     1.300 peak  3050 weight  0.10000E+01 volume  0.75900E+05 ppm1      0.760 ppm2      8.324
 ASSI { 3052}
   (( segid "    " and resid "22  " and name "HG3 "))
   (( segid "    " and resid "23  " and name "HN  "))
      4.700     2.800     2.300 peak  3052 weight  0.10000E+01 volume  0.80250E+04 ppm1      0.590 ppm2      8.310
 ASSI { 3059}
   (( segid "    " and resid "45  " and name "HB3 "))
   (( segid "    " and resid "44  " and name "HN  "))
      4.600     2.600     2.400 peak  3059 weight  0.10000E+01 volume  0.84820E+04 ppm1      1.813 ppm2      8.391
 OR { 3059}
   (( segid "    " and resid "45  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HN  "))
 ASSI { 3063}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "60  " and name "HD21"))
      3.200     1.300     1.300 peak  3063 weight  0.10000E+01 volume  0.78490E+05 ppm1      0.462 ppm2      7.841
 ASSI { 3064}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "60  " and name "HD21"))
      3.600     1.600     1.600 peak  3064 weight  0.10000E+01 volume  0.38280E+05 ppm1      0.648 ppm2      7.843
 ASSI { 3068}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "46  " and name "HN  "))
      3.200     1.300     1.300 peak  3068 weight  0.10000E+01 volume  0.79390E+05 ppm1      0.843 ppm2      7.850
 ASSI { 3069}
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
   (( segid "    " and resid "12  " and name "HN  "))
      3.000     1.100     1.100 peak  3069 weight  0.10000E+01 volume  0.11230E+06 ppm1      0.863 ppm2      7.745
 ASSI { 3070}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "31  " and name "HN  "))
      3.300     1.400     1.400 peak  3070 weight  0.10000E+01 volume  0.65930E+05 ppm1      0.845 ppm2      7.677
 ASSI { 3073}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "17  " and name "HN  "))
      5.400     3.600     1.600 peak  3073 weight  0.10000E+01 volume  0.31850E+04 ppm1      0.569 ppm2      7.676
 ASSI { 3076}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "32  " and name "HN  "))
      4.400     2.400     2.400 peak  3076 weight  0.10000E+01 volume  0.11730E+05 ppm1      0.775 ppm2      7.760
 ASSI { 3077}
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
   (( segid "    " and resid "12  " and name "HN  "))
      3.400     1.400     1.400 peak  3077 weight  0.10000E+01 volume  0.52660E+05 ppm1      1.101 ppm2      7.745
 ASSI { 3080}
   (( segid "    " and resid "49  " and name "HB3 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      2.900     1.100     1.100 peak  3080 weight  0.10000E+01 volume  0.13150E+06 ppm1      1.051 ppm2      7.516
 ASSI { 3082}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "18  " and name "HN  "))
      4.600     2.600     2.400 peak  3082 weight  0.10000E+01 volume  0.82830E+04 ppm1      0.769 ppm2      7.533
 ASSI { 3084}
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
   (( segid "    " and resid "7   " and name "HE21"))
      4.700     2.800     2.300 peak  3084 weight  0.10000E+01 volume  0.74710E+04 ppm1      0.747 ppm2      7.511
 ASSI { 3085}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "60  " and name "HD22"))
      2.900     1.100     1.100 peak  3085 weight  0.10000E+01 volume  0.14070E+06 ppm1      0.467 ppm2      7.607
 ASSI { 3087}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "60  " and name "HD22"))
      3.000     1.100     1.100 peak  3087 weight  0.10000E+01 volume  0.12180E+06 ppm1      0.647 ppm2      7.606
 ASSI { 3088}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      2.700     0.900     0.900 peak  3088 weight  0.10000E+01 volume  0.22720E+06 ppm1      0.257 ppm2      7.457
 ASSI { 3089}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      5.200     3.400     1.800 peak  3089 weight  0.10000E+01 volume  0.41950E+04 ppm1      0.925 ppm2      7.458
 ASSI { 3092}
   (( segid "    " and resid "10  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      2.800     1.000     1.000 peak  3092 weight  0.10000E+01 volume  0.17220E+06 ppm1      1.337 ppm2      7.458
 ASSI { 3093}
   (( segid "    " and resid "41  " and name "HG13"))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      4.000     2.000     2.000 peak  3093 weight  0.10000E+01 volume  0.21680E+05 ppm1      1.172 ppm2      7.459
 ASSI { 3094}
   (( segid "    " and resid "17  " and name "HB3 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      2.700     0.900     0.900 peak  3094 weight  0.10000E+01 volume  0.22630E+06 ppm1      1.200 ppm2      7.420
 ASSI { 3095}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      2.400     0.700     0.700 peak  3095 weight  0.10000E+01 volume  0.44810E+06 ppm1      0.769 ppm2      7.420
 ASSI { 3097}
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      3.400     1.400     1.400 peak  3097 weight  0.10000E+01 volume  0.50670E+05 ppm1      0.667 ppm2      7.456
 ASSI { 3098}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      2.500     0.800     0.800 peak  3098 weight  0.10000E+01 volume  0.33890E+06 ppm1      0.572 ppm2      7.457
 ASSI { 3099}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      4.000     2.000     2.000 peak  3099 weight  0.10000E+01 volume  0.19940E+05 ppm1      0.515 ppm2      7.457
 ASSI { 3100}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      3.100     1.200     1.200 peak  3100 weight  0.10000E+01 volume  0.88800E+05 ppm1      0.511 ppm2      7.422
 ASSI { 3102}
   (( segid "    " and resid "22  " and name "HG2 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      3.200     1.300     1.300 peak  3102 weight  0.10000E+01 volume  0.73210E+05 ppm1      0.660 ppm2      7.422
 ASSI { 3106}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "23  " and name "HZ  "))
      2.500     0.800     0.800 peak  3106 weight  0.10000E+01 volume  0.34420E+06 ppm1      0.769 ppm2      7.357
 ASSI { 3107}
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
   (( segid "    " and resid "53  " and name "HZ  "))
      2.800     1.000     1.000 peak  3107 weight  0.10000E+01 volume  0.17920E+06 ppm1      0.863 ppm2      7.346
 ASSI { 3108}
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
   (( segid "    " and resid "53  " and name "HZ  "))
      2.600     0.800     0.800 peak  3108 weight  0.10000E+01 volume  0.25730E+06 ppm1      1.099 ppm2      7.346
 ASSI { 3109}
   (( segid "    " and resid "17  " and name "HB3 "))
   (( segid "    " and resid "23  " and name "HZ  "))
      4.000     2.000     2.000 peak  3109 weight  0.10000E+01 volume  0.18990E+05 ppm1      1.198 ppm2      7.361
 ASSI { 3113}
   (( segid "    " and resid "22  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HZ  "))
      3.600     1.600     1.600 peak  3113 weight  0.10000E+01 volume  0.38300E+05 ppm1      1.294 ppm2      7.348
 ASSI { 3117}
   (( segid "    " and resid "62  " and name "HB3 "))
   (( segid "    " and resid "60  " and name "HD21"))
      3.100     1.200     1.200 peak  3117 weight  0.10000E+01 volume  0.99830E+05 ppm1      1.648 ppm2      7.838
 ASSI { 3118}
   (( segid "    " and resid "64  " and name "HB3 "))
   (( segid "    " and resid "60  " and name "HD21"))
      3.200     1.300     1.300 peak  3118 weight  0.10000E+01 volume  0.82250E+05 ppm1      1.766 ppm2      7.838
 ASSI { 3122}
   (( segid "    " and resid "62  " and name "HB3 "))
   (( segid "    " and resid "60  " and name "HD22"))
      3.700     1.700     1.700 peak  3122 weight  0.10000E+01 volume  0.34600E+05 ppm1      1.654 ppm2      7.604
 ASSI { 3123}
   (( segid "    " and resid "64  " and name "HB3 "))
   (( segid "    " and resid "60  " and name "HD22"))
      4.100     2.100     2.100 peak  3123 weight  0.10000E+01 volume  0.17270E+05 ppm1      1.768 ppm2      7.605
 ASSI { 3124}
   (( segid "    " and resid "64  " and name "HB2 "))
   (( segid "    " and resid "60  " and name "HD22"))
      3.600     1.600     1.600 peak  3124 weight  0.10000E+01 volume  0.40710E+05 ppm1      1.870 ppm2      7.605
 ASSI { 3126}
   (( segid "    " and resid "33  " and name "HG  "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      4.500     2.500     2.500 peak  3126 weight  0.10000E+01 volume  0.98920E+04 ppm1      1.745 ppm2      7.462
 ASSI { 3128}
   (( segid "    " and resid "19  " and name "HG2 "))
   (( segid "    " and resid "18  " and name "HN  "))
      4.700     2.800     2.300 peak  3128 weight  0.10000E+01 volume  0.80330E+04 ppm1      1.614 ppm2      7.534
 ASSI { 3132}
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      3.400     1.400     1.400 peak  3132 weight  0.10000E+01 volume  0.55230E+05 ppm1      1.508 ppm2      7.456
 ASSI { 3133}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "23  " and name "HZ  "))
      2.400     0.700     0.700 peak  3133 weight  0.10000E+01 volume  0.43860E+06 ppm1      1.391 ppm2      7.355
 ASSI { 3134}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "53  " and name "HZ  "))
      4.200     2.200     2.200 peak  3134 weight  0.10000E+01 volume  0.16230E+05 ppm1      1.538 ppm2      7.346
 OR { 3134}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "53  " and name "HZ  "))
 ASSI { 3135}
   (( segid "    " and resid "11  " and name "HB  "))
   (( segid "    " and resid "53  " and name "HZ  "))
      4.200     2.200     2.200 peak  3135 weight  0.10000E+01 volume  0.15570E+05 ppm1      2.120 ppm2      7.345
 ASSI { 3136}
   (( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      3.400     1.400     1.400 peak  3136 weight  0.10000E+01 volume  0.50300E+05 ppm1      2.017 ppm2      7.457
 ASSI { 3137}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "31  " and name "HN  "))
      3.600     1.600     1.600 peak  3137 weight  0.10000E+01 volume  0.38870E+05 ppm1      1.395 ppm2      7.679
 ASSI { 3138}
   (( segid "    " and resid "30  " and name "HA  "))
   (( segid "    " and resid "32  " and name "HN  "))
      4.400     2.400     2.400 peak  3138 weight  0.10000E+01 volume  0.11000E+05 ppm1      3.203 ppm2      7.759
 ASSI { 3140}
   (( segid "    " and resid "10  " and name "HA  "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      3.400     1.400     1.400 peak  3140 weight  0.10000E+01 volume  0.55220E+05 ppm1      3.302 ppm2      7.458
 ASSI { 3142}
   (( segid "    " and resid "11  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HZ  "))
      3.800     1.800     1.800 peak  3142 weight  0.10000E+01 volume  0.26730E+05 ppm1      3.354 ppm2      7.347
 ASSI { 3143}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      2.600     0.800     0.800 peak  3143 weight  0.10000E+01 volume  0.25970E+06 ppm1      2.506 ppm2      7.457
 ASSI { 3144}
   (( segid "    " and resid "36  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      2.500     0.800     0.800 peak  3144 weight  0.10000E+01 volume  0.36780E+06 ppm1      2.230 ppm2      7.457
 ASSI { 3145}
   (( segid "    " and resid "22  " and name "HE2 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      3.000     1.100     1.100 peak  3145 weight  0.10000E+01 volume  0.10500E+06 ppm1      2.710 ppm2      7.422
 OR { 3145}
   (( segid "    " and resid "22  " and name "HE3 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
 ASSI { 3146}
   (( segid "    " and resid "22  " and name "HE2 "))
   (( segid "    " and resid "23  " and name "HZ  "))
      2.900     1.100     1.100 peak  3146 weight  0.10000E+01 volume  0.13910E+06 ppm1      2.708 ppm2      7.354
 OR { 3146}
   (( segid "    " and resid "22  " and name "HE3 "))
   (( segid "    " and resid "23  " and name "HZ  "))
 ASSI { 3148}
   (( segid "    " and resid "10  " and name "HA  "))
   (( segid "    " and resid "12  " and name "HN  "))
      5.200     3.400     1.800 peak  3148 weight  0.10000E+01 volume  0.40510E+04 ppm1      3.298 ppm2      7.746
 ASSI { 3152}
   (( segid "    " and resid "37  " and name "HA2 "))
   (( segid "    " and resid "36  " and name "HN  "))
      4.100     2.100     2.100 peak  3152 weight  0.10000E+01 volume  0.17730E+05 ppm1      3.629 ppm2      7.388
 ASSI { 3153}
   (( segid "    " and resid "60  " and name "HB2 "))
   (( segid "    " and resid "62  " and name "HN  "))
      4.200     2.200     2.200 peak  3153 weight  0.10000E+01 volume  0.15190E+05 ppm1      3.717 ppm2      7.420
 ASSI { 3154}
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.100     1.200     1.200 peak  3154 weight  0.10000E+01 volume  0.94030E+05 ppm1      3.797 ppm2      7.515
 ASSI { 3156}
   (( segid "    " and resid "14  " and name "HA  "))
   (( segid "    " and resid "18  " and name "HN  "))
      4.000     2.000     2.000 peak  3156 weight  0.10000E+01 volume  0.21850E+05 ppm1      3.854 ppm2      7.530
 ASSI { 3159}
   (( segid "    " and resid "27  " and name "HA2 "))
   (( segid "    " and resid "31  " and name "HN  "))
      3.900     1.900     1.900 peak  3159 weight  0.10000E+01 volume  0.22270E+05 ppm1      3.718 ppm2      7.677
 ASSI { 3160}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "28  " and name "HN  "))
      4.400     2.400     2.400 peak  3160 weight  0.10000E+01 volume  0.10870E+05 ppm1      3.798 ppm2      7.785
 ASSI { 3161}
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HN  "))
      3.300     1.400     1.400 peak  3161 weight  0.10000E+01 volume  0.62170E+05 ppm1      3.798 ppm2      8.039
 ASSI { 3162}
   (( segid "    " and resid "14  " and name "HA  "))
   (( segid "    " and resid "16  " and name "HN  "))
      3.800     1.800     1.800 peak  3162 weight  0.10000E+01 volume  0.29180E+05 ppm1      3.858 ppm2      7.775
 ASSI { 3163}
   (( segid "    " and resid "25  " and name "HB3 "))
   (( segid "    " and resid "28  " and name "HN  "))
      4.500     2.500     2.500 peak  3163 weight  0.10000E+01 volume  0.10280E+05 ppm1      3.984 ppm2      7.782
 ASSI { 3164}
   (( segid "    " and resid "22  " and name "HA  "))
   (( segid "    " and resid "60  " and name "HD22"))
      3.100     1.200     1.200 peak  3164 weight  0.10000E+01 volume  0.10130E+06 ppm1      4.517 ppm2      7.606
 ASSI { 3165}
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "18  " and name "HN  "))
      3.800     1.800     1.800 peak  3165 weight  0.10000E+01 volume  0.28540E+05 ppm1      4.076 ppm2      7.531
 ASSI { 3167}
   (( segid "    " and resid "33  " and name "HA  "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      2.500     0.800     0.800 peak  3167 weight  0.10000E+01 volume  0.32640E+06 ppm1      4.212 ppm2      7.457
 ASSI { 3170}
   (( segid "    " and resid "39  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HE21"))
      4.500     2.500     2.500 peak  3170 weight  0.10000E+01 volume  0.10300E+05 ppm1      4.594 ppm2      7.205
 ASSI { 3173}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      3.700     1.700     1.700 peak  3173 weight  0.10000E+01 volume  0.32460E+05 ppm1      0.256 ppm2      6.793
 ASSI { 3174}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      3.200     1.300     1.300 peak  3174 weight  0.10000E+01 volume  0.82160E+05 ppm1      0.255 ppm2      7.257
 ASSI { 3179}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "42  " and name "HN  "))
      2.700     0.900     0.900 peak  3179 weight  0.10000E+01 volume  0.23140E+06 ppm1      0.923 ppm2      6.766
 ASSI { 3180}
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
   (( segid "    " and resid "42  " and name "HN  "))
      2.800     1.000     1.000 peak  3180 weight  0.10000E+01 volume  0.17330E+06 ppm1      0.726 ppm2      6.766
 ASSI { 3181}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "34  " and name "HE22"))
      2.800     1.000     1.000 peak  3181 weight  0.10000E+01 volume  0.18000E+06 ppm1      0.802 ppm2      6.734
 ASSI { 3184}
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      2.500     0.800     0.800 peak  3184 weight  0.10000E+01 volume  0.34770E+06 ppm1      0.669 ppm2      6.791
 ASSI { 3186}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      2.700     0.900     0.900 peak  3186 weight  0.10000E+01 volume  0.20070E+06 ppm1      0.492 ppm2      6.793
 ASSI { 3187}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      3.100     1.200     1.200 peak  3187 weight  0.10000E+01 volume  0.89390E+05 ppm1      0.428 ppm2      6.796
 ASSI { 3189}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      2.500     0.800     0.800 peak  3189 weight  0.10000E+01 volume  0.31220E+06 ppm1      0.517 ppm2      6.840
 ASSI { 3190}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "26  " and name "HE21"))
      2.600     0.800     0.800 peak  3190 weight  0.10000E+01 volume  0.26470E+06 ppm1      0.458 ppm2      6.904
 ASSI { 3191}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      2.400     0.700     0.700 peak  3191 weight  0.10000E+01 volume  0.47540E+06 ppm1      0.437 ppm2      7.012
 ASSI { 3192}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      2.600     0.800     0.800 peak  3192 weight  0.10000E+01 volume  0.29340E+06 ppm1      0.483 ppm2      7.015
 ASSI { 3196}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "36  " and name "HE22"))
      3.500     1.500     1.500 peak  3196 weight  0.10000E+01 volume  0.41740E+05 ppm1      0.573 ppm2      6.955
 ASSI { 3198}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      4.300     2.300     2.300 peak  3198 weight  0.10000E+01 volume  0.13640E+05 ppm1      0.572 ppm2      7.017
 ASSI { 3199}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      2.600     0.800     0.800 peak  3199 weight  0.10000E+01 volume  0.28250E+06 ppm1      0.704 ppm2      7.017
 OR { 3199}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
 ASSI { 3201}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "36  " and name "HE22"))
      3.000     1.100     1.100 peak  3201 weight  0.10000E+01 volume  0.12470E+06 ppm1      0.768 ppm2      6.949
 ASSI { 3202}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "14  " and name "HZ  "))
      3.000     1.100     1.100 peak  3202 weight  0.10000E+01 volume  0.10880E+06 ppm1      0.946 ppm2      6.964
 ASSI { 3203}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      2.600     0.800     0.800 peak  3203 weight  0.10000E+01 volume  0.26780E+06 ppm1      0.944 ppm2      7.016
 ASSI { 3206}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "26  " and name "HE21"))
      4.200     2.200     2.200 peak  3206 weight  0.10000E+01 volume  0.14140E+05 ppm1      0.944 ppm2      6.905
 ASSI { 3208}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "34  " and name "HE21"))
      2.900     1.100     1.100 peak  3208 weight  0.10000E+01 volume  0.13710E+06 ppm1      0.802 ppm2      7.202
 ASSI { 3209}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "34  " and name "HE21"))
      3.300     1.400     1.400 peak  3209 weight  0.10000E+01 volume  0.66720E+05 ppm1      0.926 ppm2      7.203
 ASSI { 3210}
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      3.000     1.100     1.100 peak  3210 weight  0.10000E+01 volume  0.11260E+06 ppm1      0.861 ppm2      7.228
 ASSI { 3212}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "29  " and name "HN  "))
      4.300     2.300     2.300 peak  3212 weight  0.10000E+01 volume  0.13400E+05 ppm1      0.846 ppm2      7.257
 ASSI { 3213}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "29  " and name "HN  "))
      4.900     3.000     2.100 peak  3213 weight  0.10000E+01 volume  0.63540E+04 ppm1      0.946 ppm2      7.257
 ASSI { 3215}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "36  " and name "HE21"))
      3.900     1.900     1.900 peak  3215 weight  0.10000E+01 volume  0.24140E+05 ppm1      0.570 ppm2      7.312
 ASSI { 3216}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "36  " and name "HE21"))
      3.700     1.700     1.700 peak  3216 weight  0.10000E+01 volume  0.34630E+05 ppm1      0.515 ppm2      7.313
 ASSI { 3217}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "36  " and name "HE21"))
      3.000     1.100     1.100 peak  3217 weight  0.10000E+01 volume  0.10820E+06 ppm1      0.771 ppm2      7.312
 ASSI { 3218}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      3.100     1.200     1.200 peak  3218 weight  0.10000E+01 volume  0.96160E+05 ppm1      0.771 ppm2      7.279
 ASSI { 3219}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      2.700     0.900     0.900 peak  3219 weight  0.10000E+01 volume  0.20500E+06 ppm1      0.572 ppm2      7.257
 ASSI { 3221}
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      3.100     1.200     1.200 peak  3221 weight  0.10000E+01 volume  0.93130E+05 ppm1      0.663 ppm2      7.015
 ASSI { 3224}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "42  " and name "HN  "))
      3.500     1.500     1.500 peak  3224 weight  0.10000E+01 volume  0.42040E+05 ppm1      0.845 ppm2      6.766
 ASSI { 3225}
   (( segid "    " and resid "49  " and name "HB3 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      3.700     1.700     1.700 peak  3225 weight  0.10000E+01 volume  0.31420E+05 ppm1      1.049 ppm2      7.231
 ASSI { 3226}
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      3.000     1.100     1.100 peak  3226 weight  0.10000E+01 volume  0.11070E+06 ppm1      1.101 ppm2      7.231
 ASSI { 3228}
   (( segid "    " and resid "17  " and name "HB3 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      3.000     1.100     1.100 peak  3228 weight  0.10000E+01 volume  0.11440E+06 ppm1      1.200 ppm2      7.279
 ASSI { 3229}
   (( segid "    " and resid "18  " and name "HG  "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      3.900     3.900     3.100 peak  3229 weight  0.10000E+01 volume  0.24850E+05 ppm1      1.290 ppm2      7.226
 ASSI { 3230}
   (( segid "    " and resid "10  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      2.800     1.000     1.000 peak  3230 weight  0.10000E+01 volume  0.16510E+06 ppm1      1.340 ppm2      7.259
 ASSI { 3232}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "36  " and name "HE21"))
      3.500     1.500     1.500 peak  3232 weight  0.10000E+01 volume  0.45730E+05 ppm1      1.394 ppm2      7.312
 ASSI { 3233}
   (( segid "    " and resid "52  " and name "HD2 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      3.200     1.300     1.300 peak  3233 weight  0.10000E+01 volume  0.74750E+05 ppm1      1.407 ppm2      7.229
 ASSI { 3234}
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      2.300     0.700     0.700 peak  3234 weight  0.10000E+01 volume  0.60670E+06 ppm1      1.508 ppm2      7.256
 ASSI { 3235}
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
   (( segid "    " and resid "36  " and name "HE21"))
      3.900     1.900     1.900 peak  3235 weight  0.10000E+01 volume  0.22280E+05 ppm1      1.513 ppm2      7.311
 ASSI { 3244}
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
   (( segid "    " and resid "36  " and name "HE22"))
      3.200     1.300     1.300 peak  3244 weight  0.10000E+01 volume  0.81710E+05 ppm1      1.508 ppm2      6.950
 ASSI { 3245}
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "42  " and name "HD22"))
      4.300     2.300     2.300 peak  3245 weight  0.10000E+01 volume  0.13610E+05 ppm1      1.586 ppm2      6.940
 ASSI { 3246}
   (( segid "    " and resid "45  " and name "HD3 "))
   (( segid "    " and resid "42  " and name "HD22"))
      4.600     2.600     2.400 peak  3246 weight  0.10000E+01 volume  0.91490E+04 ppm1      1.686 ppm2      6.937
 OR { 3246}
   (( segid "    " and resid "45  " and name "HD2 "))
   (( segid "    " and resid "42  " and name "HD22"))
 ASSI { 3247}
   (( segid "    " and resid "65  " and name "HB3 "))
   (( segid "    " and resid "57  " and name "HE  "))
      4.200     2.200     2.200 peak  3247 weight  0.10000E+01 volume  0.16120E+05 ppm1      1.608 ppm2      6.885
 ASSI { 3248}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.400     1.400     1.400 peak  3248 weight  0.10000E+01 volume  0.51280E+05 ppm1      1.353 ppm2      6.842
 OR { 3248}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
 ASSI { 3250}
   (( segid "    " and resid "49  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      4.100     2.100     2.100 peak  3250 weight  0.10000E+01 volume  0.16830E+05 ppm1      1.052 ppm2      6.794
 ASSI { 3252}
   (( segid "    " and resid "41  " and name "HG13"))
   (( segid "    " and resid "42  " and name "HN  "))
      3.000     1.100     1.100 peak  3252 weight  0.10000E+01 volume  0.12500E+06 ppm1      1.164 ppm2      6.765
 ASSI { 3253}
   (( segid "    " and resid "18  " and name "HG  "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      4.400     2.400     2.400 peak  3253 weight  0.10000E+01 volume  0.10910E+05 ppm1      1.277 ppm2      6.795
 ASSI { 3255}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      2.500     0.800     0.800 peak  3255 weight  0.10000E+01 volume  0.30660E+06 ppm1      1.454 ppm2      6.843
 ASSI { 3256}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      2.900     1.100     1.100 peak  3256 weight  0.10000E+01 volume  0.12800E+06 ppm1      1.539 ppm2      6.793
 OR { 3256}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
 ASSI { 3257}
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "42  " and name "HN  "))
      3.900     1.900     1.900 peak  3257 weight  0.10000E+01 volume  0.21980E+05 ppm1      1.583 ppm2      6.767
 ASSI { 3258}
   (( segid "    " and resid "45  " and name "HD3 "))
   (( segid "    " and resid "42  " and name "HN  "))
      2.800     1.000     1.000 peak  3258 weight  0.10000E+01 volume  0.15620E+06 ppm1      1.679 ppm2      6.766
 OR { 3258}
   (( segid "    " and resid "45  " and name "HD2 "))
   (( segid "    " and resid "42  " and name "HN  "))
 ASSI { 3259}
   (( segid "    " and resid "45  " and name "HB3 "))
   (( segid "    " and resid "42  " and name "HN  "))
      2.200     0.600     0.600 peak  3259 weight  0.10000E+01 volume  0.65590E+06 ppm1      1.823 ppm2      6.766
 OR { 3259}
   (( segid "    " and resid "45  " and name "HB2 "))
   (( segid "    " and resid "42  " and name "HN  "))
 ASSI { 3262}
   (( segid "    " and resid "65  " and name "HE2 ")
     OR 
    ( segid "    " and resid "65  " and name "HE3 ")
     OR 
    ( segid "    " and resid "65  " and name "HE1 "))
   (( segid "    " and resid "57  " and name "HE  "))
      4.300     2.300     2.300 peak  3262 weight  0.10000E+01 volume  0.13550E+05 ppm1      1.850 ppm2      6.883
 ASSI { 3264}
   (( segid "    " and resid "50  " and name "HG  "))
   (( segid "    " and resid "14  " and name "HZ  "))
      2.400     0.700     0.700 peak  3264 weight  0.10000E+01 volume  0.41890E+06 ppm1      1.878 ppm2      6.960
 ASSI { 3265}
   (( segid "    " and resid "50  " and name "HG  "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      2.800     1.000     1.000 peak  3265 weight  0.10000E+01 volume  0.15720E+06 ppm1      1.875 ppm2      7.013
 ASSI { 3270}
   (( segid "    " and resid "17  " and name "HG  "))
   (( segid "    " and resid "36  " and name "HE22"))
      4.100     2.100     2.100 peak  3270 weight  0.10000E+01 volume  0.18210E+05 ppm1      2.033 ppm2      6.947
 ASSI { 3273}
   (( segid "    " and resid "18  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      6.000     6.000     1.000 peak  3273 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.891 ppm2      7.277
 ASSI { 3275}
   (( segid "    " and resid "41  " and name "HB  "))
   (( segid "    " and resid "34  " and name "HE21"))
      6.000     6.000     1.000 peak  3275 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.955 ppm2      7.204
 ASSI { 3282}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.400     1.400     1.400 peak  3282 weight  0.10000E+01 volume  0.51890E+05 ppm1      1.349 ppm2      6.591
 OR { 3282}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
 ASSI { 3283}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.200     1.300     1.300 peak  3283 weight  0.10000E+01 volume  0.82050E+05 ppm1      1.456 ppm2      6.592
 ASSI { 3284}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "57  " and name "HH22"))
      4.200     2.200     2.200 peak  3284 weight  0.10000E+01 volume  0.16180E+05 ppm1      1.352 ppm2      6.476
 OR { 3284}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "57  " and name "HH21"))
 OR { 3284}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "57  " and name "HH21"))
 OR { 3284}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "57  " and name "HH22"))
 ASSI { 3285}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "57  " and name "HH22"))
      4.500     2.500     2.500 peak  3285 weight  0.10000E+01 volume  0.97740E+04 ppm1      1.066 ppm2      6.478
 OR { 3285}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "57  " and name "HH21"))
 ASSI { 3286}
   (( segid "    " and resid "65  " and name "HB3 "))
   (( segid "    " and resid "57  " and name "HH22"))
      3.800     1.800     1.800 peak  3286 weight  0.10000E+01 volume  0.28460E+05 ppm1      1.602 ppm2      6.480
 OR { 3286}
   (( segid "    " and resid "65  " and name "HB3 "))
   (( segid "    " and resid "57  " and name "HH21"))
 ASSI { 3287}
   (( segid "    " and resid "65  " and name "HE2 ")
     OR 
    ( segid "    " and resid "65  " and name "HE3 ")
     OR 
    ( segid "    " and resid "65  " and name "HE1 "))
   (( segid "    " and resid "57  " and name "HH21"))
      3.600     1.600     1.600 peak  3287 weight  0.10000E+01 volume  0.36530E+05 ppm1      1.846 ppm2      6.484
 OR { 3287}
   (( segid "    " and resid "65  " and name "HE2 ")
     OR 
    ( segid "    " and resid "65  " and name "HE3 ")
     OR 
    ( segid "    " and resid "65  " and name "HE1 "))
   (( segid "    " and resid "57  " and name "HH22"))
 ASSI { 3288}
   (( segid "    " and resid "65  " and name "HB2 "))
   (( segid "    " and resid "57  " and name "HH22"))
      3.700     1.700     1.700 peak  3288 weight  0.10000E+01 volume  0.33170E+05 ppm1      1.907 ppm2      6.482
 OR { 3288}
   (( segid "    " and resid "65  " and name "HB2 "))
   (( segid "    " and resid "57  " and name "HH21"))
 ASSI { 3291}
   (( segid "    " and resid "50  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      4.100     2.100     2.100 peak  3291 weight  0.10000E+01 volume  0.17050E+05 ppm1      2.145 ppm2      6.593
 ASSI { 3292}
   (( segid "    " and resid "65  " and name "HG3 "))
   (( segid "    " and resid "57  " and name "HH22"))
      3.600     1.600     1.600 peak  3292 weight  0.10000E+01 volume  0.40660E+05 ppm1      2.376 ppm2      6.481
 OR { 3292}
   (( segid "    " and resid "65  " and name "HG3 "))
   (( segid "    " and resid "57  " and name "HH21"))
 ASSI { 3294}
   (( segid "    " and resid "57  " and name "HD2 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.400     1.400     1.400 peak  3294 weight  0.10000E+01 volume  0.53890E+05 ppm1      2.788 ppm2      6.592
 ASSI { 3295}
   (( segid "    " and resid "65  " and name "HG2 "))
   (( segid "    " and resid "57  " and name "HE  "))
      4.400     2.400     2.400 peak  3295 weight  0.10000E+01 volume  0.11940E+05 ppm1      2.407 ppm2      6.882
 ASSI { 3296}
   (( segid "    " and resid "65  " and name "HG3 "))
   (( segid "    " and resid "57  " and name "HE  "))
      4.700     2.800     2.300 peak  3296 weight  0.10000E+01 volume  0.78150E+04 ppm1      2.364 ppm2      6.883
 ASSI { 3298}
   (( segid "    " and resid "23  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.000     1.100     1.100 peak  3298 weight  0.10000E+01 volume  0.10350E+06 ppm1      3.047 ppm2      6.842
 ASSI { 3299}
   (( segid "    " and resid "36  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      2.800     1.000     1.000 peak  3299 weight  0.10000E+01 volume  0.16300E+06 ppm1      2.227 ppm2      7.257
 ASSI { 3301}
   (( segid "    " and resid "52  " and name "HE3 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      4.800     2.900     2.200 peak  3301 weight  0.10000E+01 volume  0.65700E+04 ppm1      2.706 ppm2      7.228
 ASSI { 3304}
   (( segid "    " and resid "10  " and name "HA  "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      2.600     0.800     0.800 peak  3304 weight  0.10000E+01 volume  0.26520E+06 ppm1      3.301 ppm2      7.260
 ASSI { 3305}
   (( segid "    " and resid "11  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      4.000     2.000     2.000 peak  3305 weight  0.10000E+01 volume  0.19990E+05 ppm1      3.353 ppm2      7.235
 ASSI { 3306}
   (( segid "    " and resid "63  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HE  "))
      4.700     2.800     2.300 peak  3306 weight  0.10000E+01 volume  0.77350E+04 ppm1      3.954 ppm2      7.256
 ASSI { 3313}
   (( segid "    " and resid "50  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      2.800     1.000     1.000 peak  3313 weight  0.10000E+01 volume  0.16700E+06 ppm1      4.018 ppm2      7.012
 ASSI { 3314}
   (( segid "    " and resid "50  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HZ  "))
      2.400     0.700     0.700 peak  3314 weight  0.10000E+01 volume  0.48440E+06 ppm1      4.018 ppm2      6.960
 ASSI { 3315}
   (( segid "    " and resid "45  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HN  "))
      4.300     2.300     2.300 peak  3315 weight  0.10000E+01 volume  0.13330E+05 ppm1      3.996 ppm2      6.763
 ASSI { 3316}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.400     1.400     1.400 peak  3316 weight  0.10000E+01 volume  0.55270E+05 ppm1      3.798 ppm2      6.590
 ASSI { 3317}
   (( segid "    " and resid "25  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      4.100     2.100     2.100 peak  3317 weight  0.10000E+01 volume  0.16630E+05 ppm1      3.993 ppm2      6.592
 ASSI { 3319}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      4.100     2.100     2.100 peak  3319 weight  0.10000E+01 volume  0.16890E+05 ppm1      4.331 ppm2      6.590
 ASSI { 3321}
   (( segid "    " and resid "25  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      2.600     0.800     0.800 peak  3321 weight  0.10000E+01 volume  0.30180E+06 ppm1      5.288 ppm2      6.591
 ASSI { 3323}
   (( segid "    " and resid "68  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      5.400     3.600     1.600 peak  3323 weight  0.10000E+01 volume  0.32780E+04 ppm1      5.188 ppm2      6.840
 ASSI { 3327}
   (( segid "    " and resid "38  " and name "HA  "))
   (( segid "    " and resid "7   " and name "HE22"))
      3.800     1.800     1.800 peak  3327 weight  0.10000E+01 volume  0.27590E+05 ppm1      4.551 ppm2      6.824
 ASSI { 3330}
   (( segid "    " and resid "47  " and name "HB3 "))
   (( segid "    " and resid "26  " and name "HE21"))
      2.800     1.000     1.000 peak  3330 weight  0.10000E+01 volume  0.16700E+06 ppm1      4.074 ppm2      6.902
 OR { 3330}
   (( segid "    " and resid "47  " and name "HB2 "))
   (( segid "    " and resid "26  " and name "HE21"))
 ASSI { 3332}
   (( segid "    " and resid "27  " and name "HA2 "))
   (( segid "    " and resid "43  " and name "HE22"))
      4.500     2.500     2.500 peak  3332 weight  0.10000E+01 volume  0.99700E+04 ppm1      3.708 ppm2      6.909
 ASSI { 3333}
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "43  " and name "HE22"))
      4.900     3.000     2.100 peak  3333 weight  0.10000E+01 volume  0.57320E+04 ppm1      3.605 ppm2      6.901
 ASSI { 3334}
   (( segid "    " and resid "15  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      3.100     1.200     1.200 peak  3334 weight  0.10000E+01 volume  0.96470E+05 ppm1      3.436 ppm2      6.793
 ASSI { 3335}
   (( segid "    " and resid "11  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      3.300     1.400     1.400 peak  3335 weight  0.10000E+01 volume  0.62720E+05 ppm1      3.353 ppm2      6.793
 ASSI { 3336}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HZ  "))
      3.600     1.600     1.600 peak  3336 weight  0.10000E+01 volume  0.40230E+05 ppm1      3.432 ppm2      6.964
 ASSI { 3337}
   (( segid "    " and resid "44  " and name "HB2 "))
   (( segid "    " and resid "42  " and name "HD22"))
      3.800     1.800     1.800 peak  3337 weight  0.10000E+01 volume  0.27980E+05 ppm1      3.913 ppm2      6.944
 ASSI { 3338}
   (( segid "    " and resid "53  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      3.400     1.400     1.400 peak  3338 weight  0.10000E+01 volume  0.57410E+05 ppm1      3.478 ppm2      7.015
 ASSI { 3339}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      3.000     1.100     1.100 peak  3339 weight  0.10000E+01 volume  0.12320E+06 ppm1      3.427 ppm2      7.015
 ASSI { 3341}
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      3.500     1.500     1.500 peak  3341 weight  0.10000E+01 volume  0.43410E+05 ppm1      3.801 ppm2      7.227
 ASSI { 3343}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      4.400     2.400     2.400 peak  3343 weight  0.10000E+01 volume  0.11400E+05 ppm1      3.799 ppm2      6.842
 ASSI { 3345}
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HN  "))
      5.000     3.100     2.000 peak  3345 weight  0.10000E+01 volume  0.55440E+04 ppm1      3.599 ppm2      6.763
 ASSI { 3352}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HN  "))
      3.400     1.400     1.400 peak  3352 weight  0.10000E+01 volume  0.51510E+05 ppm1      8.240 ppm2      8.483
 ASSI { 3359}
   (( segid "    " and resid "11  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      5.700     4.100     1.300 peak  3359 weight  0.10000E+01 volume  0.23590E+04 ppm1      3.357 ppm2      7.515
 ASSI { 3364}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "34  " and name "HN  "))
      4.400     2.400     2.400 peak  3364 weight  0.10000E+01 volume  0.10760E+05 ppm1      0.573 ppm2      8.722
 ASSI { 3365}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "34  " and name "HN  "))
      4.500     2.500     2.500 peak  3365 weight  0.10000E+01 volume  0.94410E+04 ppm1      0.517 ppm2      8.722
 ASSI { 3366}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HN  "))
      4.300     2.300     2.300 peak  3366 weight  0.10000E+01 volume  0.13770E+05 ppm1      0.516 ppm2      8.845
 ASSI { 3367}
   (( segid "    " and resid "10  " and name "HB3 "))
   (( segid "    " and resid "9   " and name "HN  "))
      3.900     1.900     1.900 peak  3367 weight  0.10000E+01 volume  0.21920E+05 ppm1      1.335 ppm2      8.250
 ASSI { 3369}
   (( segid "    " and resid "19  " and name "HG2 "))
   (( segid "    " and resid "16  " and name "HN  "))
      3.600     1.600     1.600 peak  3369 weight  0.10000E+01 volume  0.37980E+05 ppm1      1.609 ppm2      7.777
 ASSI { 3371}
   (( segid "    " and resid "36  " and name "HG3 "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      3.200     1.300     1.300 peak  3371 weight  0.10000E+01 volume  0.71770E+05 ppm1      2.806 ppm2      7.462
 OR { 3371}
   (( segid "    " and resid "36  " and name "HG2 "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
 ASSI { 3373}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "38  " and name "HZ  "))
      3.600     1.600     1.600 peak  3373 weight  0.10000E+01 volume  0.39610E+05 ppm1      0.255 ppm2      7.076
 ASSI { 3378}
   (( segid "    " and resid "11  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HN  "))
      2.900     1.100     1.100 peak  3378 weight  0.10000E+01 volume  0.15040E+06 ppm1      3.356 ppm2      8.843
 ASSI { 3380}
   (( segid "    " and resid "27  " and name "HA1 "))
   (( segid "    " and resid "30  " and name "HN  "))
      4.100     2.100     2.100 peak  3380 weight  0.10000E+01 volume  0.18020E+05 ppm1      4.058 ppm2      8.133
 ASSI { 3382}
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "19  " and name "HN  "))
      2.800     1.000     1.000 peak  3382 weight  0.10000E+01 volume  0.17010E+06 ppm1      4.077 ppm2      8.223
 ASSI { 3383}
   (( segid "    " and resid "27  " and name "HA2 "))
   (( segid "    " and resid "30  " and name "HN  "))
      3.300     1.400     1.400 peak  3383 weight  0.10000E+01 volume  0.69820E+05 ppm1      3.716 ppm2      8.134
 ASSI { 3384}
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "52  " and name "HN  "))
      2.900     1.100     1.100 peak  3384 weight  0.10000E+01 volume  0.14040E+06 ppm1      3.801 ppm2      8.348
 ASSI { 3386}
   (( segid "    " and resid "32  " and name "HA  "))
   (( segid "    " and resid "35  " and name "HN  "))
      2.800     1.000     1.000 peak  3386 weight  0.10000E+01 volume  0.17800E+06 ppm1      4.234 ppm2      8.331
 ASSI { 3387}
   (( segid "    " and resid "25  " and name "HA  "))
   (( segid "    " and resid "28  " and name "HN  "))
      4.700     2.800     2.300 peak  3387 weight  0.10000E+01 volume  0.72770E+04 ppm1      5.286 ppm2      7.780
 ASSI { 3391}
   (( segid "    " and resid "28  " and name "HA  "))
   (( segid "    " and resid "31  " and name "HN  "))
      6.000     6.000     1.000 peak  3391 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.194 ppm2      7.679
 ASSI { 3392}
   (( segid "    " and resid "8   " and name "HA  "))
   (( segid "    " and resid "11  " and name "HN  "))
      3.200     1.300     1.300 peak  3392 weight  0.10000E+01 volume  0.79100E+05 ppm1      4.149 ppm2      7.992
 ASSI { 3393}
   (( segid "    " and resid "7   " and name "HA  "))
   (( segid "    " and resid "10  " and name "HN  "))
      3.200     1.300     1.300 peak  3393 weight  0.10000E+01 volume  0.79800E+05 ppm1      4.134 ppm2      7.926
 ASSI { 3394}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "51  " and name "HN  "))
      6.000     6.000     1.000 peak  3394 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.099 ppm2      7.645
 ASSI { 3395}
   (( segid "    " and resid "14  " and name "HA  "))
   (( segid "    " and resid "17  " and name "HN  "))
      2.900     1.100     1.100 peak  3395 weight  0.10000E+01 volume  0.13640E+06 ppm1      3.857 ppm2      7.675
 ASSI { 3397}
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "46  " and name "HN  "))
      2.800     1.000     1.000 peak  3397 weight  0.10000E+01 volume  0.18340E+06 ppm1      3.608 ppm2      7.849
 ASSI { 3398}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "49  " and name "HN  "))
      2.900     1.100     1.100 peak  3398 weight  0.10000E+01 volume  0.14050E+06 ppm1      3.431 ppm2      7.933
 ASSI { 3399}
   (( segid "    " and resid "50  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HN  "))
      3.800     1.800     1.800 peak  3399 weight  0.10000E+01 volume  0.27610E+05 ppm1      4.025 ppm2      8.038
 ASSI { 3400}
   (( segid "    " and resid "29  " and name "HA  "))
   (( segid "    " and resid "32  " and name "HN  "))
      2.900     1.100     1.100 peak  3400 weight  0.10000E+01 volume  0.14120E+06 ppm1      3.150 ppm2      7.761
 ASSI { 3401}
   (( segid "    " and resid "30  " and name "HA  "))
   (( segid "    " and resid "33  " and name "HN  "))
      6.000     6.000     1.000 peak  3401 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.203 ppm2      8.137
 ASSI { 3405}
   (( segid "    " and resid "33  " and name "HA  "))
   (( segid "    " and resid "36  " and name "HN  "))
      2.700     0.900     0.900 peak  3405 weight  0.10000E+01 volume  0.19970E+06 ppm1      4.218 ppm2      7.386
 ASSI { 3407}
   (( segid "    " and resid "10  " and name "HA  "))
   (( segid "    " and resid "13  " and name "HN  "))
      3.000     1.100     1.100 peak  3407 weight  0.10000E+01 volume  0.11240E+06 ppm1      3.302 ppm2      8.168
 ASSI { 3408}
   (( segid "    " and resid "26  " and name "HG2 "))
   (( segid "    " and resid "26  " and name "HN  "))
      2.500     0.800     0.800 peak  3408 weight  0.10000E+01 volume  0.36590E+06 ppm1      2.601 ppm2      9.629
 OR { 3408}
   (( segid "    " and resid "26  " and name "HG3 "))
   (( segid "    " and resid "26  " and name "HN  "))
 ASSI { 3410}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "29  " and name "HN  "))
      3.200     1.300     1.300 peak  3410 weight  0.10000E+01 volume  0.80300E+05 ppm1      3.803 ppm2      7.260
 ASSI { 3411}
   (( segid "    " and resid "43  " and name "HB3 "))
   (( segid "    " and resid "43  " and name "HE21"))
      6.000     6.000     1.000 peak  3411 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.089 ppm2      7.635
 ASSI { 3417}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "26  " and name "HE21"))
      3.900     1.900     1.900 peak  3417 weight  0.10000E+01 volume  0.22850E+05 ppm1      1.929 ppm2      6.905
 ASSI { 3420}
   (( segid "    " and resid "26  " and name "HG2 "))
   (( segid "    " and resid "26  " and name "HE21"))
      2.600     0.800     0.800 peak  3420 weight  0.10000E+01 volume  0.28150E+06 ppm1      2.603 ppm2      6.905
 OR { 3420}
   (( segid "    " and resid "26  " and name "HG3 "))
   (( segid "    " and resid "26  " and name "HE21"))
 ASSI { 3422}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "26  " and name "HE21"))
      5.000     3.100     2.000 peak  3422 weight  0.10000E+01 volume  0.55090E+04 ppm1      3.803 ppm2      6.906
 ASSI { 3423}
   (( segid "    " and resid "26  " and name "HE21"))
   (( segid "    " and resid "26  " and name "HN  "))
      3.800     1.800     1.800 peak  3423 weight  0.10000E+01 volume  0.27570E+05 ppm1      6.898 ppm2      9.627
 ASSI {   46}
   (( segid "    " and resid "2   " and name "HG2 "))
   (( segid "    " and resid "2   " and name "HA  "))
      2.900     1.100     1.100 peak    46 weight  0.10000E+01 volume  0.10350E+05 ppm1      1.649 ppm2      4.432
 OR {   46}
   (( segid "    " and resid "2   " and name "HG3 "))
   (( segid "    " and resid "2   " and name "HA  "))
 ASSI {   53}
   (( segid "    " and resid "2   " and name "HD2 "))
   (( segid "    " and resid "2   " and name "HA  "))
      4.000     2.000     2.000 peak    53 weight  0.10000E+01 volume  0.15050E+04 ppm1      3.143 ppm2      4.432
 OR {   53}
   (( segid "    " and resid "2   " and name "HD3 "))
   (( segid "    " and resid "2   " and name "HA  "))
 ASSI {  140}
   (( segid "    " and resid "6   " and name "HG2 "))
   (( segid "    " and resid "6   " and name "HA  "))
      2.800     1.000     1.000 peak   140 weight  0.10000E+01 volume  0.10870E+05 ppm1      1.578 ppm2      4.346
 ASSI {  148}
   (( segid "    " and resid "6   " and name "HG3 "))
   (( segid "    " and resid "6   " and name "HA  "))
      2.700     0.900     0.900 peak   148 weight  0.10000E+01 volume  0.13780E+05 ppm1      1.505 ppm2      4.346
 ASSI {  149}
   (( segid "    " and resid "6   " and name "HG3 "))
   (( segid "    " and resid "6   " and name "HB2 "))
      3.000     1.100     1.100 peak   149 weight  0.10000E+01 volume  0.85100E+04 ppm1      1.505 ppm2      2.021
 ASSI {  164}
   (( segid "    " and resid "6   " and name "HE3 "))
   (( segid "    " and resid "6   " and name "HA  "))
      5.400     3.600     1.600 peak   164 weight  0.10000E+01 volume  0.23420E+03 ppm1      2.980 ppm2      4.346
 OR {  164}
   (( segid "    " and resid "6   " and name "HE2 "))
   (( segid "    " and resid "6   " and name "HA  "))
 ASSI {  257}
   (( segid "    " and resid "9   " and name "HG2 "))
   (( segid "    " and resid "9   " and name "HA  "))
      2.100     0.600     0.600 peak   257 weight  0.10000E+01 volume  0.66320E+05 ppm1      2.522 ppm2      4.198
 OR {  257}
   (( segid "    " and resid "9   " and name "HG3 "))
   (( segid "    " and resid "9   " and name "HA  "))
 ASSI {  276}
   (( segid "    " and resid "10  " and name "HB2 "))
   (( segid "    " and resid "10  " and name "HA  "))
      2.600     0.800     0.800 peak   276 weight  0.10000E+01 volume  0.17880E+05 ppm1      1.834 ppm2      3.301
 ASSI {  280}
   (( segid "    " and resid "10  " and name "HB2 "))
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
      2.300     0.700     0.700 peak   280 weight  0.10000E+01 volume  0.35070E+05 ppm1      1.834 ppm2      0.748
 ASSI {  283}
   (( segid "    " and resid "10  " and name "HB3 "))
   (( segid "    " and resid "10  " and name "HA  "))
      2.200     0.600     0.600 peak   283 weight  0.10000E+01 volume  0.48400E+05 ppm1      1.337 ppm2      3.301
 ASSI {  284}
   (( segid "    " and resid "10  " and name "HB3 "))
   (( segid "    " and resid "10  " and name "HB2 "))
      1.900     0.500     0.500 peak   284 weight  0.10000E+01 volume  0.13760E+06 ppm1      1.337 ppm2      1.834
 ASSI {  287}
   (( segid "    " and resid "10  " and name "HB3 "))
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
      2.500     0.800     0.800 peak   287 weight  0.10000E+01 volume  0.21110E+05 ppm1      1.337 ppm2      0.748
 ASSI {  290}
   (( segid "    " and resid "10  " and name "HG  "))
   (( segid "    " and resid "10  " and name "HA  "))
      2.600     0.800     0.800 peak   290 weight  0.10000E+01 volume  0.17310E+05 ppm1      1.091 ppm2      3.301
 ASSI {  291}
   (( segid "    " and resid "10  " and name "HG  "))
   (( segid "    " and resid "10  " and name "HB2 "))
      2.800     1.000     1.000 peak   291 weight  0.10000E+01 volume  0.11160E+05 ppm1      1.091 ppm2      1.834
 ASSI {  297}
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
   (( segid "    " and resid "10  " and name "HA  "))
      3.400     1.400     1.400 peak   297 weight  0.10000E+01 volume  0.36260E+04 ppm1      0.748 ppm2      3.301
 ASSI {  304}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "10  " and name "HA  "))
      2.200     0.600     0.600 peak   304 weight  0.10000E+01 volume  0.49130E+05 ppm1      0.261 ppm2      3.301
 ASSI {  305}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "10  " and name "HB2 "))
      2.700     0.900     0.900 peak   305 weight  0.10000E+01 volume  0.15040E+05 ppm1      0.261 ppm2      1.834
 ASSI {  306}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "10  " and name "HB3 "))
      2.500     0.800     0.800 peak   306 weight  0.10000E+01 volume  0.25050E+05 ppm1      0.261 ppm2      1.337
 ASSI {  307}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "10  " and name "HG  "))
      2.200     0.600     0.600 peak   307 weight  0.10000E+01 volume  0.56140E+05 ppm1      0.261 ppm2      1.091
 ASSI {  308}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
      2.000     0.500     0.500 peak   308 weight  0.10000E+01 volume  0.96740E+05 ppm1      0.261 ppm2      0.748
 ASSI {  321}
   (( segid "    " and resid "11  " and name "HB  "))
   (( segid "    " and resid "11  " and name "HA  "))
      2.700     0.900     0.900 peak   321 weight  0.10000E+01 volume  0.16430E+05 ppm1      2.121 ppm2      3.358
 ASSI {  324}
   (( segid "    " and resid "11  " and name "HB  "))
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
      2.100     0.600     0.600 peak   324 weight  0.10000E+01 volume  0.67170E+05 ppm1      2.121 ppm2      0.864
 ASSI {  326}
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
   (( segid "    " and resid "11  " and name "HA  "))
      2.100     0.600     0.600 peak   326 weight  0.10000E+01 volume  0.58850E+05 ppm1      1.099 ppm2      3.358
 ASSI {  327}
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
   (( segid "    " and resid "11  " and name "HB  "))
      2.100     0.600     0.600 peak   327 weight  0.10000E+01 volume  0.59100E+05 ppm1      1.099 ppm2      2.121
 ASSI {  331}
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
   (( segid "    " and resid "11  " and name "HA  "))
      2.300     0.700     0.700 peak   331 weight  0.10000E+01 volume  0.38920E+05 ppm1      0.864 ppm2      3.358
 ASSI {  352}
   (( segid "    " and resid "12  " and name "HB2 "))
   (( segid "    " and resid "12  " and name "HA  "))
      2.100     0.600     0.600 peak   352 weight  0.10000E+01 volume  0.58940E+05 ppm1      1.922 ppm2      3.902
 OR {  352}
   (( segid "    " and resid "12  " and name "HB3 "))
   (( segid "    " and resid "12  " and name "HA  "))
 ASSI {  369}
   (( segid "    " and resid "12  " and name "HG3 "))
   (( segid "    " and resid "12  " and name "HB2 "))
      2.900     1.100     1.100 peak   369 weight  0.10000E+01 volume  0.10720E+05 ppm1      1.423 ppm2      1.922
 OR {  369}
   (( segid "    " and resid "12  " and name "HG3 "))
   (( segid "    " and resid "12  " and name "HB3 "))
 ASSI {  384}
   (( segid "    " and resid "12  " and name "HD3 "))
   (( segid "    " and resid "12  " and name "HA  "))
      2.700     0.900     0.900 peak   384 weight  0.10000E+01 volume  0.15180E+05 ppm1      1.602 ppm2      3.902
 ASSI {  420}
   (( segid "    " and resid "14  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      4.000     2.000     2.000 peak   420 weight  0.10000E+01 volume  0.13590E+04 ppm1      3.860 ppm2      7.014
 ASSI {  423}
   (( segid "    " and resid "14  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HA  "))
      2.600     0.800     0.800 peak   423 weight  0.10000E+01 volume  0.20170E+05 ppm1      3.155 ppm2      3.860
 ASSI {  427}
   (( segid "    " and resid "14  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      4.000     2.000     2.000 peak   427 weight  0.10000E+01 volume  0.13510E+04 ppm1      3.155 ppm2      7.014
 ASSI {  430}
   (( segid "    " and resid "14  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HA  "))
      2.300     0.700     0.700 peak   430 weight  0.10000E+01 volume  0.44040E+05 ppm1      2.858 ppm2      3.860
 ASSI {  435}
   (( segid "    " and resid "53  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HZ  "))
      3.800     1.800     1.800 peak   435 weight  0.10000E+01 volume  0.17760E+04 ppm1      2.858 ppm2      6.956
 ASSI {  474}
   (( segid "    " and resid "15  " and name "HB2 "))
   (( segid "    " and resid "15  " and name "HA  "))
      2.400     0.700     0.700 peak   474 weight  0.10000E+01 volume  0.34040E+05 ppm1      1.847 ppm2      3.440
 ASSI {  482}
   (( segid "    " and resid "15  " and name "HB3 "))
   (( segid "    " and resid "15  " and name "HA  "))
      2.400     0.700     0.700 peak   482 weight  0.10000E+01 volume  0.32390E+05 ppm1      1.742 ppm2      3.440
 ASSI {  485}
   (( segid "    " and resid "15  " and name "HB3 "))
   (( segid "    " and resid "15  " and name "HG3 "))
      3.600     1.600     1.600 peak   485 weight  0.10000E+01 volume  0.26910E+04 ppm1      1.742 ppm2      0.928
 OR {  485}
   (( segid "    " and resid "15  " and name "HB3 "))
   (( segid "    " and resid "15  " and name "HG2 "))
 ASSI {  495}
   (( segid "    " and resid "15  " and name "HG2 "))
   (( segid "    " and resid "15  " and name "HE2 "))
      2.300     2.300     4.700 peak   495 weight  0.10000E+01 volume  0.37830E+05 ppm1      0.928 ppm2      2.566
 OR {  495}
   (( segid "    " and resid "15  " and name "HG3 "))
   (( segid "    " and resid "15  " and name "HE2 "))
 ASSI {  496}
   (( segid "    " and resid "15  " and name "HG3 "))
   (( segid "    " and resid "15  " and name "HE3 "))
      3.500     1.500     1.500 peak   496 weight  0.10000E+01 volume  0.30960E+04 ppm1      0.928 ppm2      2.423
 OR {  496}
   (( segid "    " and resid "15  " and name "HG2 "))
   (( segid "    " and resid "15  " and name "HE3 "))
 ASSI {  498}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "15  " and name "HA  "))
      2.500     0.800     0.800 peak   498 weight  0.10000E+01 volume  0.25330E+05 ppm1      1.534 ppm2      3.440
 OR {  498}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "15  " and name "HA  "))
 ASSI {  501}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "15  " and name "HG3 "))
      1.900     0.500     0.500 peak   501 weight  0.10000E+01 volume  0.11770E+06 ppm1      1.534 ppm2      0.928
 OR {  501}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "15  " and name "HG2 "))
 OR {  501}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "15  " and name "HG2 "))
 ASSI {  504}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "15  " and name "HE3 "))
      2.400     0.700     0.700 peak   504 weight  0.10000E+01 volume  0.32150E+05 ppm1      1.534 ppm2      2.423
 OR {  504}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "15  " and name "HE3 "))
 ASSI {  528}
   (( segid "    " and resid "16  " and name "HB2 ")
     OR 
    ( segid "    " and resid "16  " and name "HB3 ")
     OR 
    ( segid "    " and resid "16  " and name "HB1 "))
   (( segid "    " and resid "16  " and name "HA  "))
      2.100     0.600     0.600 peak   528 weight  0.10000E+01 volume  0.71770E+05 ppm1      1.531 ppm2      4.075
 ASSI {  545}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "17  " and name "HA  "))
      2.700     0.900     0.900 peak   545 weight  0.10000E+01 volume  0.14280E+05 ppm1      1.828 ppm2      4.284
 ASSI {  549}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
      2.800     1.000     1.000 peak   549 weight  0.10000E+01 volume  0.12830E+05 ppm1      1.828 ppm2      0.777
 ASSI {  550}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
      2.300     0.700     0.700 peak   550 weight  0.10000E+01 volume  0.40560E+05 ppm1      1.828 ppm2      0.515
 ASSI {  553}
   (( segid "    " and resid "17  " and name "HB3 "))
   (( segid "    " and resid "17  " and name "HB2 "))
      1.900     0.500     0.500 peak   553 weight  0.10000E+01 volume  0.13690E+06 ppm1      1.211 ppm2      1.828
 ASSI {  555}
   (( segid "    " and resid "17  " and name "HB3 "))
   (( segid "    " and resid "17  " and name "HG  "))
      3.100     1.200     1.200 peak   555 weight  0.10000E+01 volume  0.69280E+04 ppm1      1.211 ppm2      2.034
 ASSI {  557}
   (( segid "    " and resid "17  " and name "HB3 "))
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
      3.400     1.400     1.400 peak   557 weight  0.10000E+01 volume  0.38450E+04 ppm1      1.211 ppm2      0.515
 ASSI {  563}
   (( segid "    " and resid "17  " and name "HG  "))
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
      2.200     0.600     0.600 peak   563 weight  0.10000E+01 volume  0.54110E+05 ppm1      2.034 ppm2      0.777
 ASSI {  566}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "17  " and name "HA  "))
      2.100     0.600     0.600 peak   566 weight  0.10000E+01 volume  0.60940E+05 ppm1      0.777 ppm2      4.284
 ASSI {  568}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "17  " and name "HB3 "))
      2.400     0.700     0.700 peak   568 weight  0.10000E+01 volume  0.26740E+05 ppm1      0.777 ppm2      1.211
 ASSI {  573}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "17  " and name "HA  "))
      3.100     1.200     1.200 peak   573 weight  0.10000E+01 volume  0.64420E+04 ppm1      0.515 ppm2      4.284
 ASSI {  576}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "17  " and name "HG  "))
      2.100     0.600     0.600 peak   576 weight  0.10000E+01 volume  0.60130E+05 ppm1      0.515 ppm2      2.034
 ASSI {  597}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "18  " and name "HG  "))
      2.200     0.600     0.600 peak   597 weight  0.10000E+01 volume  0.48060E+05 ppm1      0.424 ppm2      1.285
 ASSI {  604}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "18  " and name "HG  "))
      2.100     0.600     0.600 peak   604 weight  0.10000E+01 volume  0.64810E+05 ppm1      0.492 ppm2      1.285
 ASSI {  608}
   (( segid "    " and resid "18  " and name "HG  "))
   (( segid "    " and resid "18  " and name "HA  "))
      2.700     0.900     0.900 peak   608 weight  0.10000E+01 volume  0.13940E+05 ppm1      1.285 ppm2      3.994
 ASSI {  612}
   (( segid "    " and resid "18  " and name "HG  "))
   (( segid "    " and resid "18  " and name "HB2 "))
      2.800     1.000     1.000 peak   612 weight  0.10000E+01 volume  0.12190E+05 ppm1      1.285 ppm2      1.880
 ASSI {  622}
   (( segid "    " and resid "18  " and name "HB3 "))
   (( segid "    " and resid "18  " and name "HA  "))
      2.300     0.700     0.700 peak   622 weight  0.10000E+01 volume  0.35200E+05 ppm1      1.190 ppm2      3.994
 ASSI {  623}
   (( segid "    " and resid "18  " and name "HB3 "))
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
      2.700     0.900     0.900 peak   623 weight  0.10000E+01 volume  0.15510E+05 ppm1      1.190 ppm2      0.424
 ASSI {  624}
   (( segid "    " and resid "18  " and name "HB3 "))
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
      2.900     1.100     1.100 peak   624 weight  0.10000E+01 volume  0.95960E+04 ppm1      1.190 ppm2      0.492
 ASSI {  626}
   (( segid "    " and resid "18  " and name "HB3 "))
   (( segid "    " and resid "18  " and name "HB2 "))
      2.000     0.500     0.500 peak   626 weight  0.10000E+01 volume  0.89930E+05 ppm1      1.190 ppm2      1.880
 ASSI {  653}
   (( segid "    " and resid "19  " and name "HB3 "))
   (( segid "    " and resid "19  " and name "HA  "))
      2.400     0.700     0.700 peak   653 weight  0.10000E+01 volume  0.29790E+05 ppm1      1.933 ppm2      4.280
 ASSI {  661}
   (( segid "    " and resid "19  " and name "HG2 "))
   (( segid "    " and resid "19  " and name "HA  "))
      2.900     1.100     1.100 peak   661 weight  0.10000E+01 volume  0.91700E+04 ppm1      1.628 ppm2      4.280
 ASSI {  669}
   (( segid "    " and resid "19  " and name "HG3 "))
   (( segid "    " and resid "19  " and name "HA  "))
      2.700     0.900     0.900 peak   669 weight  0.10000E+01 volume  0.16580E+05 ppm1      1.554 ppm2      4.280
 ASSI {  677}
   (( segid "    " and resid "19  " and name "HD2 "))
   (( segid "    " and resid "19  " and name "HA  "))
      3.100     1.200     1.200 peak   677 weight  0.10000E+01 volume  0.67860E+04 ppm1      1.710 ppm2      4.280
 OR {  677}
   (( segid "    " and resid "19  " and name "HD3 "))
   (( segid "    " and resid "19  " and name "HA  "))
 ASSI {  685}
   (( segid "    " and resid "19  " and name "HE2 "))
   (( segid "    " and resid "19  " and name "HA  "))
      4.800     2.900     2.200 peak   685 weight  0.10000E+01 volume  0.46810E+03 ppm1      2.963 ppm2      4.280
 OR {  685}
   (( segid "    " and resid "19  " and name "HE3 "))
   (( segid "    " and resid "19  " and name "HA  "))
 ASSI {  703}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "20  " and name "HA  "))
      2.200     2.200     4.800 peak   703 weight  0.10000E+01 volume  0.49180E+05 ppm1      2.354 ppm2      4.090
 ASSI {  708}
   (( segid "    " and resid "20  " and name "HB3 "))
   (( segid "    " and resid "20  " and name "HA  "))
      2.200     0.600     0.600 peak   708 weight  0.10000E+01 volume  0.45690E+05 ppm1      2.091 ppm2      4.090
 ASSI {  711}
   (( segid "    " and resid "20  " and name "HB3 "))
   (( segid "    " and resid "20  " and name "HG2 "))
      2.700     0.900     0.900 peak   711 weight  0.10000E+01 volume  0.14100E+05 ppm1      2.091 ppm2      2.812
 OR {  711}
   (( segid "    " and resid "20  " and name "HB3 "))
   (( segid "    " and resid "20  " and name "HG3 "))
 ASSI {  713}
   (( segid "    " and resid "20  " and name "HG3 "))
   (( segid "    " and resid "20  " and name "HA  "))
      3.100     1.200     1.200 peak   713 weight  0.10000E+01 volume  0.63610E+04 ppm1      2.812 ppm2      4.090
 OR {  713}
   (( segid "    " and resid "20  " and name "HG2 "))
   (( segid "    " and resid "20  " and name "HA  "))
 ASSI {  736}
   (( segid "    " and resid "21  " and name "HB3 "))
   (( segid "    " and resid "21  " and name "HA  "))
      2.500     0.800     0.800 peak   736 weight  0.10000E+01 volume  0.23480E+05 ppm1      1.976 ppm2      3.974
 ASSI {  742}
   (( segid "    " and resid "21  " and name "HG2 "))
   (( segid "    " and resid "21  " and name "HA  "))
      2.800     1.000     1.000 peak   742 weight  0.10000E+01 volume  0.11220E+05 ppm1      2.428 ppm2      3.974
 ASSI {  770}
   (( segid "    " and resid "22  " and name "HB2 "))
   (( segid "    " and resid "22  " and name "HA  "))
      2.300     0.700     0.700 peak   770 weight  0.10000E+01 volume  0.43910E+05 ppm1      1.297 ppm2      4.513
 ASSI {  773}
   (( segid "    " and resid "22  " and name "HB2 "))
   (( segid "    " and resid "22  " and name "HG2 "))
      3.700     1.700     1.700 peak   773 weight  0.10000E+01 volume  0.20920E+04 ppm1      1.297 ppm2      0.634
 ASSI {  778}
   (( segid "    " and resid "22  " and name "HB3 "))
   (( segid "    " and resid "22  " and name "HA  "))
      2.500     0.800     0.800 peak   778 weight  0.10000E+01 volume  0.23560E+05 ppm1      1.094 ppm2      4.513
 ASSI {  784}
   (( segid "    " and resid "22  " and name "HB3 "))
   (( segid "    " and resid "22  " and name "HE3 "))
      3.900     1.900     1.900 peak   784 weight  0.10000E+01 volume  0.15510E+04 ppm1      1.094 ppm2      2.696
 OR {  784}
   (( segid "    " and resid "22  " and name "HB3 "))
   (( segid "    " and resid "22  " and name "HE2 "))
 ASSI {  786}
   (( segid "    " and resid "22  " and name "HG2 "))
   (( segid "    " and resid "22  " and name "HA  "))
      2.800     1.000     1.000 peak   786 weight  0.10000E+01 volume  0.11290E+05 ppm1      0.634 ppm2      4.513
 ASSI {  788}
   (( segid "    " and resid "22  " and name "HG2 "))
   (( segid "    " and resid "22  " and name "HB3 "))
      2.300     0.700     0.700 peak   788 weight  0.10000E+01 volume  0.39560E+05 ppm1      0.634 ppm2      1.094
 ASSI {  792}
   (( segid "    " and resid "22  " and name "HG2 "))
   (( segid "    " and resid "22  " and name "HE2 "))
      2.800     1.000     1.000 peak   792 weight  0.10000E+01 volume  0.11830E+05 ppm1      0.634 ppm2      2.696
 OR {  792}
   (( segid "    " and resid "22  " and name "HG2 "))
   (( segid "    " and resid "22  " and name "HE3 "))
 ASSI {  794}
   (( segid "    " and resid "22  " and name "HG3 "))
   (( segid "    " and resid "22  " and name "HA  "))
      2.900     1.100     1.100 peak   794 weight  0.10000E+01 volume  0.90020E+04 ppm1      0.581 ppm2      4.513
 ASSI {  796}
   (( segid "    " and resid "22  " and name "HG3 "))
   (( segid "    " and resid "22  " and name "HB3 "))
      2.600     0.800     0.800 peak   796 weight  0.10000E+01 volume  0.20860E+05 ppm1      0.581 ppm2      1.094
 ASSI {  800}
   (( segid "    " and resid "22  " and name "HG3 "))
   (( segid "    " and resid "22  " and name "HE3 "))
      3.100     1.200     1.200 peak   800 weight  0.10000E+01 volume  0.66040E+04 ppm1      0.581 ppm2      2.696
 OR {  800}
   (( segid "    " and resid "22  " and name "HG3 "))
   (( segid "    " and resid "22  " and name "HE2 "))
 ASSI {  802}
   (( segid "    " and resid "22  " and name "HD2 "))
   (( segid "    " and resid "22  " and name "HA  "))
      3.300     1.400     1.400 peak   802 weight  0.10000E+01 volume  0.47100E+04 ppm1      1.376 ppm2      4.513
 OR {  802}
   (( segid "    " and resid "22  " and name "HD3 "))
   (( segid "    " and resid "22  " and name "HA  "))
 ASSI {  805}
   (( segid "    " and resid "22  " and name "HD3 "))
   (( segid "    " and resid "22  " and name "HG2 "))
      3.200     1.300     1.300 peak   805 weight  0.10000E+01 volume  0.51190E+04 ppm1      1.376 ppm2      0.634
 OR {  805}
   (( segid "    " and resid "22  " and name "HD2 "))
   (( segid "    " and resid "22  " and name "HG2 "))
 ASSI {  806}
   (( segid "    " and resid "22  " and name "HD3 "))
   (( segid "    " and resid "22  " and name "HG3 "))
      2.700     0.900     0.900 peak   806 weight  0.10000E+01 volume  0.13410E+05 ppm1      1.376 ppm2      0.581
 OR {  806}
   (( segid "    " and resid "22  " and name "HD2 "))
   (( segid "    " and resid "22  " and name "HG3 "))
 ASSI {  810}
   (( segid "    " and resid "22  " and name "HE3 "))
   (( segid "    " and resid "22  " and name "HA  "))
      3.800     1.800     1.800 peak   810 weight  0.10000E+01 volume  0.20390E+04 ppm1      2.696 ppm2      4.513
 OR {  810}
   (( segid "    " and resid "22  " and name "HE2 "))
   (( segid "    " and resid "22  " and name "HA  "))
 ASSI {  826}
   (( segid "    " and resid "23  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HB2 "))
      2.400     0.700     0.700 peak   826 weight  0.10000E+01 volume  0.28970E+05 ppm1      4.745 ppm2      3.054
 ASSI {  827}
   (( segid "    " and resid "23  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HB3 "))
      4.500     2.500     2.500 peak   827 weight  0.10000E+01 volume  0.65590E+03 ppm1      4.745 ppm2      2.389
 ASSI {  828}
   (( segid "    " and resid "23  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      2.300     0.700     0.700 peak   828 weight  0.10000E+01 volume  0.34330E+05 ppm1      4.745 ppm2      7.279
 ASSI {  829}
   (( segid "    " and resid "23  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      3.600     1.600     1.600 peak   829 weight  0.10000E+01 volume  0.26150E+04 ppm1      4.745 ppm2      7.414
 ASSI {  830}
   (( segid "    " and resid "23  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HZ  "))
      5.100     3.300     1.900 peak   830 weight  0.10000E+01 volume  0.34300E+03 ppm1      4.745 ppm2      7.357
 ASSI {  835}
   (( segid "    " and resid "23  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      2.100     0.600     0.600 peak   835 weight  0.10000E+01 volume  0.73760E+05 ppm1      3.054 ppm2      7.279
 ASSI {  836}
   (( segid "    " and resid "23  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      3.700     1.700     1.700 peak   836 weight  0.10000E+01 volume  0.22960E+04 ppm1      3.054 ppm2      7.414
 ASSI {  837}
   (( segid "    " and resid "23  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HZ  "))
      4.800     2.900     2.200 peak   837 weight  0.10000E+01 volume  0.50210E+03 ppm1      3.054 ppm2      7.357
 ASSI {  842}
   (( segid "    " and resid "23  " and name "HB3 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      2.400     0.700     0.700 peak   842 weight  0.10000E+01 volume  0.30180E+05 ppm1      2.389 ppm2      7.279
 ASSI {  843}
   (( segid "    " and resid "23  " and name "HB3 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      3.400     1.400     1.400 peak   843 weight  0.10000E+01 volume  0.36280E+04 ppm1      2.389 ppm2      7.414
 ASSI {  850}
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      1.900     0.500     0.500 peak   850 weight  0.10000E+01 volume  0.13960E+06 ppm1      7.279 ppm2      7.414
 ASSI {  872}
   (( segid "    " and resid "24  " and name "HA  "))
   (( segid "    " and resid "24  " and name "HB2 "))
      2.400     0.700     0.700 peak   872 weight  0.10000E+01 volume  0.27800E+05 ppm1      4.794 ppm2      4.071
 ASSI {  873}
   (( segid "    " and resid "24  " and name "HA  "))
   (( segid "    " and resid "24  " and name "HB3 "))
      2.400     0.700     0.700 peak   873 weight  0.10000E+01 volume  0.28890E+05 ppm1      4.794 ppm2      3.941
 ASSI {  891}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "25  " and name "HA  "))
      2.200     0.600     0.600 peak   891 weight  0.10000E+01 volume  0.45990E+05 ppm1      4.316 ppm2      5.284
 ASSI {  895}
   (( segid "    " and resid "25  " and name "HB3 "))
   (( segid "    " and resid "25  " and name "HA  "))
      2.300     0.700     0.700 peak   895 weight  0.10000E+01 volume  0.40270E+05 ppm1      3.975 ppm2      5.284
 ASSI {  912}
   (( segid "    " and resid "26  " and name "HB2 "))
   (( segid "    " and resid "26  " and name "HA  "))
      2.400     0.700     0.700 peak   912 weight  0.10000E+01 volume  0.32500E+05 ppm1      2.086 ppm2      3.802
 ASSI {  917}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "26  " and name "HA  "))
      2.300     0.700     0.700 peak   917 weight  0.10000E+01 volume  0.43180E+05 ppm1      1.933 ppm2      3.802
 ASSI {  930}
   (( segid "    " and resid "27  " and name "HA2 "))
   (( segid "    " and resid "27  " and name "HA1 "))
      1.700     0.400     0.500 peak   930 weight  0.10000E+01 volume  0.22060E+06 ppm1      3.714 ppm2      4.056
 ASSI {  943}
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "28  " and name "HA  "))
      2.100     2.100     4.900 peak   943 weight  0.10000E+01 volume  0.66320E+05 ppm1      2.489 ppm2      4.187
 ASSI {  953}
   (( segid "    " and resid "28  " and name "HG2 "))
   (( segid "    " and resid "28  " and name "HA  "))
      4.100     2.100     2.100 peak   953 weight  0.10000E+01 volume  0.11700E+04 ppm1      2.596 ppm2      4.187
 OR {  953}
   (( segid "    " and resid "28  " and name "HG3 "))
   (( segid "    " and resid "28  " and name "HA  "))
 ASSI {  972}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
      2.300     0.700     0.700 peak   972 weight  0.10000E+01 volume  0.40260E+05 ppm1      1.959 ppm2      0.519
 ASSI {  976}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "29  " and name "HA  "))
      2.600     0.800     0.800 peak   976 weight  0.10000E+01 volume  0.20790E+05 ppm1      0.519 ppm2      3.150
 ASSI {  982}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "29  " and name "HA  "))
      2.300     0.700     0.700 peak   982 weight  0.10000E+01 volume  0.37570E+05 ppm1      0.702 ppm2      3.150
 OR {  982}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "29  " and name "HA  "))
 ASSI {  988}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "29  " and name "HA  "))
      2.400     2.400     4.600 peak   988 weight  0.10000E+01 volume  0.31020E+05 ppm1      0.416 ppm2      3.150
 ASSI { 1009}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "30  " and name "HA  "))
      2.200     0.600     0.600 peak  1009 weight  0.10000E+01 volume  0.48530E+05 ppm1      0.846 ppm2      3.211
 ASSI { 1010}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "30  " and name "HB  "))
      2.200     0.600     0.600 peak  1010 weight  0.10000E+01 volume  0.58090E+05 ppm1      0.846 ppm2      2.232
 ASSI { 1014}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "30  " and name "HA  "))
      2.300     0.700     0.700 peak  1014 weight  0.10000E+01 volume  0.38550E+05 ppm1      0.803 ppm2      3.211
 ASSI { 1015}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "30  " and name "HB  "))
      2.100     0.600     0.600 peak  1015 weight  0.10000E+01 volume  0.69110E+05 ppm1      0.803 ppm2      2.232
 ASSI { 1051}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "33  " and name "HA  "))
      2.100     0.600     0.600 peak  1051 weight  0.10000E+01 volume  0.69180E+05 ppm1      0.580 ppm2      4.223
 ASSI { 1053}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "33  " and name "HG  "))
      2.100     0.600     0.600 peak  1053 weight  0.10000E+01 volume  0.59660E+05 ppm1      0.580 ppm2      1.741
 ASSI { 1055}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "33  " and name "HB2 "))
      2.600     0.800     0.800 peak  1055 weight  0.10000E+01 volume  0.18350E+05 ppm1      0.580 ppm2      2.025
 ASSI { 1058}
   (( segid "    " and resid "33  " and name "HG  "))
   (( segid "    " and resid "33  " and name "HA  "))
      2.500     0.800     0.800 peak  1058 weight  0.10000E+01 volume  0.24960E+05 ppm1      1.741 ppm2      4.223
 ASSI { 1061}
   (( segid "    " and resid "33  " and name "HG  "))
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
      2.300     0.700     0.700 peak  1061 weight  0.10000E+01 volume  0.36540E+05 ppm1      1.741 ppm2      0.674
 ASSI { 1065}
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
   (( segid "    " and resid "33  " and name "HA  "))
      3.100     1.200     1.200 peak  1065 weight  0.10000E+01 volume  0.71410E+04 ppm1      0.674 ppm2      4.223
 ASSI { 1072}
   (( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "33  " and name "HA  "))
      2.600     0.800     0.800 peak  1072 weight  0.10000E+01 volume  0.20900E+05 ppm1      2.025 ppm2      4.223
 ASSI { 1075}
   (( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
      2.400     0.700     0.700 peak  1075 weight  0.10000E+01 volume  0.32820E+05 ppm1      2.025 ppm2      0.674
 ASSI { 1079}
   (( segid "    " and resid "33  " and name "HB3 "))
   (( segid "    " and resid "33  " and name "HA  "))
      2.600     0.800     0.800 peak  1079 weight  0.10000E+01 volume  0.20750E+05 ppm1      1.269 ppm2      4.223
 ASSI { 1082}
   (( segid "    " and resid "33  " and name "HB3 "))
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
      2.900     1.100     1.100 peak  1082 weight  0.10000E+01 volume  0.95060E+04 ppm1      1.269 ppm2      0.674
 ASSI { 1083}
   (( segid "    " and resid "33  " and name "HB3 "))
   (( segid "    " and resid "33  " and name "HB2 "))
      2.100     0.600     0.600 peak  1083 weight  0.10000E+01 volume  0.75670E+05 ppm1      1.269 ppm2      2.025
 ASSI { 1110}
   (( segid "    " and resid "34  " and name "HB3 "))
   (( segid "    " and resid "34  " and name "HA  "))
      2.500     0.800     0.800 peak  1110 weight  0.10000E+01 volume  0.23130E+05 ppm1      2.040 ppm2      4.141
 ASSI { 1180}
   (( segid "    " and resid "35  " and name "HG3 "))
   (( segid "    " and resid "35  " and name "HA  "))
      2.800     1.000     1.000 peak  1180 weight  0.10000E+01 volume  0.12070E+05 ppm1      2.431 ppm2      4.111
 ASSI { 1200}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HA  "))
      2.000     0.500     0.500 peak  1200 weight  0.10000E+01 volume  0.83060E+05 ppm1      2.472 ppm2      4.284
 ASSI { 1207}
   (( segid "    " and resid "36  " and name "HB3 "))
   (( segid "    " and resid "36  " and name "HA  "))
      2.500     0.800     0.800 peak  1207 weight  0.10000E+01 volume  0.22150E+05 ppm1      2.236 ppm2      4.284
 ASSI { 1210}
   (( segid "    " and resid "36  " and name "HB3 "))
   (( segid "    " and resid "36  " and name "HG3 "))
      2.300     0.700     0.700 peak  1210 weight  0.10000E+01 volume  0.37220E+05 ppm1      2.236 ppm2      2.804
 OR { 1210}
   (( segid "    " and resid "36  " and name "HB3 "))
   (( segid "    " and resid "36  " and name "HG2 "))
 ASSI { 1214}
   (( segid "    " and resid "36  " and name "HG3 "))
   (( segid "    " and resid "36  " and name "HA  "))
      2.400     0.700     0.700 peak  1214 weight  0.10000E+01 volume  0.28030E+05 ppm1      2.804 ppm2      4.284
 OR { 1214}
   (( segid "    " and resid "36  " and name "HG2 "))
   (( segid "    " and resid "36  " and name "HA  "))
 ASSI { 1241}
   (( segid "    " and resid "37  " and name "HA2 "))
   (( segid "    " and resid "37  " and name "HA1 "))
      1.800     0.400     0.400 peak  1241 weight  0.10000E+01 volume  0.18870E+06 ppm1      3.631 ppm2      4.093
 ASSI { 1258}
   (( segid "    " and resid "38  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HA  "))
      2.200     0.600     0.600 peak  1258 weight  0.10000E+01 volume  0.44980E+05 ppm1      3.007 ppm2      4.536
 ASSI { 1263}
   (( segid "    " and resid "38  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HZ  "))
      4.500     2.500     2.500 peak  1263 weight  0.10000E+01 volume  0.72900E+03 ppm1      3.007 ppm2      7.069
 ASSI { 1265}
   (( segid "    " and resid "38  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HA  "))
      2.600     0.800     0.800 peak  1265 weight  0.10000E+01 volume  0.20500E+05 ppm1      2.591 ppm2      4.536
 ASSI { 1266}
   (( segid "    " and resid "38  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HB2 "))
      1.800     0.400     0.400 peak  1266 weight  0.10000E+01 volume  0.19610E+06 ppm1      2.591 ppm2      3.007
 ASSI { 1269}
   (( segid "    " and resid "38  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      3.500     1.500     1.500 peak  1269 weight  0.10000E+01 volume  0.31800E+04 ppm1      2.591 ppm2      7.257
 ASSI { 1270}
   (( segid "    " and resid "38  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HZ  "))
      6.100     4.700     0.900 peak  1270 weight  0.10000E+01 volume  0.11570E+03 ppm1      2.591 ppm2      7.069
 ASSI { 1290}
   (( segid "    " and resid "38  " and name "HZ  "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      1.800     0.400     0.400 peak  1290 weight  0.10000E+01 volume  0.15050E+06 ppm1      7.069 ppm2      7.257
 ASSI { 1301}
   (( segid "    " and resid "39  " and name "HB2 "))
   (( segid "    " and resid "39  " and name "HA  "))
      2.800     1.000     1.000 peak  1301 weight  0.10000E+01 volume  0.11540E+05 ppm1      2.681 ppm2      4.606
 ASSI { 1305}
   (( segid "    " and resid "39  " and name "HB3 "))
   (( segid "    " and resid "39  " and name "HA  "))
      2.200     0.600     0.600 peak  1305 weight  0.10000E+01 volume  0.46140E+05 ppm1      2.647 ppm2      4.606
 ASSI { 1321}
   (( segid "    " and resid "40  " and name "HB2 "))
   (( segid "    " and resid "40  " and name "HA  "))
      2.400     0.700     0.700 peak  1321 weight  0.10000E+01 volume  0.30530E+05 ppm1      2.868 ppm2      4.532
 ASSI { 1327}
   (( segid "    " and resid "40  " and name "HB3 "))
   (( segid "    " and resid "40  " and name "HA  "))
      2.300     0.700     0.700 peak  1327 weight  0.10000E+01 volume  0.37120E+05 ppm1      2.820 ppm2      4.532
 ASSI { 1359}
   (( segid "    " and resid "41  " and name "HB  "))
   (( segid "    " and resid "41  " and name "HA  "))
      2.500     0.800     0.800 peak  1359 weight  0.10000E+01 volume  0.25050E+05 ppm1      1.976 ppm2      4.143
 ASSI { 1361}
   (( segid "    " and resid "41  " and name "HB  "))
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
      2.200     0.600     0.600 peak  1361 weight  0.10000E+01 volume  0.54620E+05 ppm1      1.976 ppm2      0.926
 ASSI { 1366}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "41  " and name "HA  "))
      2.500     0.800     0.800 peak  1366 weight  0.10000E+01 volume  0.21950E+05 ppm1      0.926 ppm2      4.143
 ASSI { 1374}
   (( segid "    " and resid "41  " and name "HG12"))
   (( segid "    " and resid "41  " and name "HB  "))
      2.800     1.000     1.000 peak  1374 weight  0.10000E+01 volume  0.11210E+05 ppm1      1.441 ppm2      1.976
 ASSI { 1375}
   (( segid "    " and resid "41  " and name "HG12"))
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
      3.000     1.100     1.100 peak  1375 weight  0.10000E+01 volume  0.72960E+04 ppm1      1.441 ppm2      0.926
 ASSI { 1378}
   (( segid "    " and resid "41  " and name "HG12"))
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
      2.700     0.900     0.900 peak  1378 weight  0.10000E+01 volume  0.14360E+05 ppm1      1.441 ppm2      0.725
 ASSI { 1380}
   (( segid "    " and resid "41  " and name "HG13"))
   (( segid "    " and resid "41  " and name "HA  "))
      3.500     1.500     1.500 peak  1380 weight  0.10000E+01 volume  0.33610E+04 ppm1      1.165 ppm2      4.143
 ASSI { 1381}
   (( segid "    " and resid "41  " and name "HG13"))
   (( segid "    " and resid "41  " and name "HB  "))
      2.900     1.100     1.100 peak  1381 weight  0.10000E+01 volume  0.10240E+05 ppm1      1.165 ppm2      1.976
 ASSI { 1387}
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
   (( segid "    " and resid "41  " and name "HA  "))
      2.200     0.600     0.600 peak  1387 weight  0.10000E+01 volume  0.56260E+05 ppm1      0.725 ppm2      4.143
 ASSI { 1391}
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
   (( segid "    " and resid "41  " and name "HG13"))
      2.300     0.700     0.700 peak  1391 weight  0.10000E+01 volume  0.42930E+05 ppm1      0.725 ppm2      1.165
 ASSI { 1401}
   (( segid "    " and resid "42  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HB2 "))
      2.200     0.600     0.600 peak  1401 weight  0.10000E+01 volume  0.50390E+05 ppm1      4.723 ppm2      3.215
 ASSI { 1402}
   (( segid "    " and resid "42  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HB3 "))
      2.000     0.500     0.500 peak  1402 weight  0.10000E+01 volume  0.86020E+05 ppm1      4.723 ppm2      3.020
 ASSI { 1446}
   (( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "43  " and name "HA  "))
      2.500     0.800     0.800 peak  1446 weight  0.10000E+01 volume  0.22240E+05 ppm1      2.154 ppm2      3.608
 ASSI { 1454}
   (( segid "    " and resid "43  " and name "HB3 "))
   (( segid "    " and resid "43  " and name "HA  "))
      2.200     0.600     0.600 peak  1454 weight  0.10000E+01 volume  0.51130E+05 ppm1      2.080 ppm2      3.608
 ASSI { 1462}
   (( segid "    " and resid "43  " and name "HG2 "))
   (( segid "    " and resid "43  " and name "HA  "))
      2.900     1.100     1.100 peak  1462 weight  0.10000E+01 volume  0.10350E+05 ppm1      2.419 ppm2      3.608
 ASSI { 1470}
   (( segid "    " and resid "43  " and name "HG3 "))
   (( segid "    " and resid "43  " and name "HA  "))
      2.700     0.900     0.900 peak  1470 weight  0.10000E+01 volume  0.13940E+05 ppm1      2.290 ppm2      3.608
 ASSI { 1502}
   (( segid "    " and resid "44  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HA  "))
      2.100     0.600     0.600 peak  1502 weight  0.10000E+01 volume  0.67280E+05 ppm1      3.921 ppm2      4.170
 ASSI { 1506}
   (( segid "    " and resid "44  " and name "HB3 "))
   (( segid "    " and resid "44  " and name "HA  "))
      2.200     2.200     4.800 peak  1506 weight  0.10000E+01 volume  0.46080E+05 ppm1      3.871 ppm2      4.170
 ASSI { 1524}
   (( segid "    " and resid "45  " and name "HB3 "))
   (( segid "    " and resid "45  " and name "HA  "))
      2.100     0.600     0.600 peak  1524 weight  0.10000E+01 volume  0.67460E+05 ppm1      1.829 ppm2      3.999
 OR { 1524}
   (( segid "    " and resid "45  " and name "HB2 "))
   (( segid "    " and resid "45  " and name "HA  "))
 ASSI { 1531}
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "45  " and name "HA  "))
      2.800     1.000     1.000 peak  1531 weight  0.10000E+01 volume  0.11230E+05 ppm1      1.591 ppm2      3.999
 ASSI { 1538}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "45  " and name "HA  "))
      2.700     0.900     0.900 peak  1538 weight  0.10000E+01 volume  0.16570E+05 ppm1      1.405 ppm2      3.999
 ASSI { 1545}
   (( segid "    " and resid "45  " and name "HD2 "))
   (( segid "    " and resid "45  " and name "HA  "))
      3.000     1.100     1.100 peak  1545 weight  0.10000E+01 volume  0.79520E+04 ppm1      1.682 ppm2      3.999
 OR { 1545}
   (( segid "    " and resid "45  " and name "HD3 "))
   (( segid "    " and resid "45  " and name "HA  "))
 ASSI { 1571}
   (( segid "    " and resid "46  " and name "HB  "))
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
      2.100     0.600     0.600 peak  1571 weight  0.10000E+01 volume  0.73220E+05 ppm1      2.056 ppm2      0.950
 ASSI { 1588}
   (( segid "    " and resid "47  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HB3 "))
      3.700     1.700     1.700 peak  1588 weight  0.10000E+01 volume  0.21140E+04 ppm1      4.823 ppm2      4.083
 OR { 1588}
   (( segid "    " and resid "47  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HB2 "))
 ASSI { 1611}
   (( segid "    " and resid "48  " and name "HB2 "))
   (( segid "    " and resid "48  " and name "HA  "))
      2.500     0.800     0.800 peak  1611 weight  0.10000E+01 volume  0.25910E+05 ppm1      1.931 ppm2      4.095
 ASSI { 1616}
   (( segid "    " and resid "48  " and name "HB2 "))
   (( segid "    " and resid "48  " and name "HD2 "))
      3.300     1.400     1.400 peak  1616 weight  0.10000E+01 volume  0.42960E+04 ppm1      1.931 ppm2      3.207
 ASSI { 1620}
   (( segid "    " and resid "48  " and name "HB3 "))
   (( segid "    " and resid "48  " and name "HA  "))
      2.400     0.700     0.700 peak  1620 weight  0.10000E+01 volume  0.30560E+05 ppm1      1.856 ppm2      4.095
 ASSI { 1629}
   (( segid "    " and resid "48  " and name "HG2 "))
   (( segid "    " and resid "48  " and name "HA  "))
      2.600     0.800     0.800 peak  1629 weight  0.10000E+01 volume  0.16850E+05 ppm1      1.794 ppm2      4.095
 ASSI { 1638}
   (( segid "    " and resid "48  " and name "HG3 "))
   (( segid "    " and resid "48  " and name "HA  "))
      2.700     0.900     0.900 peak  1638 weight  0.10000E+01 volume  0.16520E+05 ppm1      1.649 ppm2      4.095
 ASSI { 1643}
   (( segid "    " and resid "48  " and name "HG3 "))
   (( segid "    " and resid "48  " and name "HD2 "))
      2.900     1.100     1.100 peak  1643 weight  0.10000E+01 volume  0.96780E+04 ppm1      1.649 ppm2      3.207
 ASSI { 1686}
   (( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "49  " and name "HA  "))
      2.400     0.700     0.700 peak  1686 weight  0.10000E+01 volume  0.33890E+05 ppm1      1.475 ppm2      3.803
 ASSI { 1689}
   (( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "49  " and name "HG2 "))
      2.400     0.700     0.700 peak  1689 weight  0.10000E+01 volume  0.26780E+05 ppm1      1.475 ppm2      2.570
 ASSI { 1695}
   (( segid "    " and resid "49  " and name "HB3 "))
   (( segid "    " and resid "49  " and name "HG2 "))
      2.700     0.900     0.900 peak  1695 weight  0.10000E+01 volume  0.14110E+05 ppm1      1.057 ppm2      2.570
 ASSI { 1698}
   (( segid "    " and resid "49  " and name "HG2 "))
   (( segid "    " and resid "49  " and name "HA  "))
      2.500     0.800     0.800 peak  1698 weight  0.10000E+01 volume  0.23270E+05 ppm1      2.570 ppm2      3.803
 ASSI { 1704}
   (( segid "    " and resid "49  " and name "HG3 "))
   (( segid "    " and resid "49  " and name "HA  "))
      2.300     0.700     0.700 peak  1704 weight  0.10000E+01 volume  0.38310E+05 ppm1      2.052 ppm2      3.803
 ASSI { 1706}
   (( segid "    " and resid "49  " and name "HG3 "))
   (( segid "    " and resid "49  " and name "HB3 "))
      2.400     0.700     0.700 peak  1706 weight  0.10000E+01 volume  0.28170E+05 ppm1      2.052 ppm2      1.057
 ASSI { 1722}
   (( segid "    " and resid "50  " and name "HB2 "))
   (( segid "    " and resid "50  " and name "HA  "))
      2.700     0.900     0.900 peak  1722 weight  0.10000E+01 volume  0.14930E+05 ppm1      2.162 ppm2      4.024
 ASSI { 1728}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "50  " and name "HA  "))
      2.400     0.700     0.700 peak  1728 weight  0.10000E+01 volume  0.31100E+05 ppm1      1.420 ppm2      4.024
 ASSI { 1729}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "50  " and name "HB2 "))
      1.800     0.400     0.400 peak  1729 weight  0.10000E+01 volume  0.19070E+06 ppm1      1.420 ppm2      2.162
 ASSI { 1731}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "50  " and name "HG  "))
      2.900     1.100     1.100 peak  1731 weight  0.10000E+01 volume  0.10440E+05 ppm1      1.420 ppm2      1.890
 ASSI { 1732}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
      2.100     0.600     0.600 peak  1732 weight  0.10000E+01 volume  0.61570E+05 ppm1      1.420 ppm2      0.452
 ASSI { 1758}
   (( segid "    " and resid "51  " and name "HG21")
     OR 
    ( segid "    " and resid "51  " and name "HG23")
     OR 
    ( segid "    " and resid "51  " and name "HG22"))
   (( segid "    " and resid "51  " and name "HA  "))
      2.300     0.700     0.700 peak  1758 weight  0.10000E+01 volume  0.41830E+05 ppm1      1.255 ppm2      4.097
 ASSI { 1759}
   (( segid "    " and resid "51  " and name "HG21")
     OR 
    ( segid "    " and resid "51  " and name "HG23")
     OR 
    ( segid "    " and resid "51  " and name "HG22"))
   (( segid "    " and resid "51  " and name "HB  "))
      2.100     0.600     0.600 peak  1759 weight  0.10000E+01 volume  0.63410E+05 ppm1      1.255 ppm2      4.169
 ASSI { 1783}
   (( segid "    " and resid "52  " and name "HB2 "))
   (( segid "    " and resid "52  " and name "HG2 "))
      2.900     1.100     1.100 peak  1783 weight  0.10000E+01 volume  0.96980E+04 ppm1      1.718 ppm2      1.007
 ASSI { 1784}
   (( segid "    " and resid "52  " and name "HB2 "))
   (( segid "    " and resid "52  " and name "HG3 "))
      3.100     1.200     1.200 peak  1784 weight  0.10000E+01 volume  0.67620E+04 ppm1      1.718 ppm2      0.710
 ASSI { 1798}
   (( segid "    " and resid "52  " and name "HG2 "))
   (( segid "    " and resid "52  " and name "HA  "))
      2.600     0.800     0.800 peak  1798 weight  0.10000E+01 volume  0.20660E+05 ppm1      1.007 ppm2      3.884
 ASSI { 1805}
   (( segid "    " and resid "52  " and name "HG2 "))
   (( segid "    " and resid "52  " and name "HE3 "))
      3.400     1.400     1.400 peak  1805 weight  0.10000E+01 volume  0.38480E+04 ppm1      1.007 ppm2      2.697
 ASSI { 1807}
   (( segid "    " and resid "52  " and name "HG3 "))
   (( segid "    " and resid "52  " and name "HA  "))
      3.000     1.100     1.100 peak  1807 weight  0.10000E+01 volume  0.83420E+04 ppm1      0.710 ppm2      3.884
 ASSI { 1825}
   (( segid "    " and resid "51  " and name "HG21")
     OR 
    ( segid "    " and resid "51  " and name "HG23")
     OR 
    ( segid "    " and resid "51  " and name "HG22"))
   (( segid "    " and resid "52  " and name "HA  "))
      3.200     1.300     1.300 peak  1825 weight  0.10000E+01 volume  0.53150E+04 ppm1      1.255 ppm2      3.884
 ASSI { 1854}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      4.200     2.200     2.200 peak  1854 weight  0.10000E+01 volume  0.10490E+04 ppm1      4.569 ppm2      7.228
 ASSI { 1857}
   (( segid "    " and resid "53  " and name "HB2 "))
   (( segid "    " and resid "53  " and name "HA  "))
      2.300     0.700     0.700 peak  1857 weight  0.10000E+01 volume  0.35600E+05 ppm1      3.480 ppm2      4.569
 ASSI { 1864}
   (( segid "    " and resid "53  " and name "HB3 "))
   (( segid "    " and resid "53  " and name "HA  "))
      2.600     0.800     0.800 peak  1864 weight  0.10000E+01 volume  0.19710E+05 ppm1      2.878 ppm2      4.569
 ASSI { 1865}
   (( segid "    " and resid "53  " and name "HB3 "))
   (( segid "    " and resid "53  " and name "HB2 "))
      1.700     0.400     0.500 peak  1865 weight  0.10000E+01 volume  0.22420E+06 ppm1      2.878 ppm2      3.480
 ASSI { 1881}
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      1.900     0.500     0.500 peak  1881 weight  0.10000E+01 volume  0.13410E+06 ppm1      7.228 ppm2      7.513
 ASSI { 1883}
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
   (( segid "    " and resid "53  " and name "HZ  "))
      2.100     0.600     0.600 peak  1883 weight  0.10000E+01 volume  0.68880E+05 ppm1      7.228 ppm2      7.340
 ASSI { 1907}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "55  " and name "HA  "))
      2.000     0.500     0.500 peak  1907 weight  0.10000E+01 volume  0.88460E+05 ppm1      1.460 ppm2      4.588
 ASSI { 1920}
   (( segid "    " and resid "56  " and name "HB  "))
   (( segid "    " and resid "56  " and name "HA  "))
      2.200     0.600     0.600 peak  1920 weight  0.10000E+01 volume  0.49110E+05 ppm1      2.136 ppm2      4.681
 ASSI { 1922}
   (( segid "    " and resid "56  " and name "HB  "))
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
      2.400     0.700     0.700 peak  1922 weight  0.10000E+01 volume  0.29430E+05 ppm1      2.136 ppm2      0.978
 ASSI { 1925}
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
   (( segid "    " and resid "56  " and name "HA  "))
      2.300     0.700     0.700 peak  1925 weight  0.10000E+01 volume  0.41050E+05 ppm1      0.978 ppm2      4.681
 ASSI { 1930}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "56  " and name "HA  "))
      2.800     1.000     1.000 peak  1930 weight  0.10000E+01 volume  0.12070E+05 ppm1      0.766 ppm2      4.681
 ASSI { 1931}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "56  " and name "HB  "))
      2.200     0.600     0.600 peak  1931 weight  0.10000E+01 volume  0.53470E+05 ppm1      0.766 ppm2      2.136
 ASSI { 1955}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "57  " and name "HA  "))
      2.800     1.000     1.000 peak  1955 weight  0.10000E+01 volume  0.12940E+05 ppm1      1.378 ppm2      5.094
 ASSI { 1965}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "57  " and name "HA  "))
      2.400     0.700     0.700 peak  1965 weight  0.10000E+01 volume  0.32180E+05 ppm1      1.341 ppm2      5.094
 ASSI { 1975}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "57  " and name "HA  "))
      2.900     1.100     1.100 peak  1975 weight  0.10000E+01 volume  0.93350E+04 ppm1      1.055 ppm2      5.094
 ASSI { 1980}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "57  " and name "HD2 "))
      2.900     1.100     1.100 peak  1980 weight  0.10000E+01 volume  0.94560E+04 ppm1      1.055 ppm2      2.789
 ASSI { 1981}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "57  " and name "HD3 "))
      2.800     1.000     1.000 peak  1981 weight  0.10000E+01 volume  0.12700E+05 ppm1      1.055 ppm2      2.677
 ASSI { 1985}
   (( segid "    " and resid "57  " and name "HG3 "))
   (( segid "    " and resid "57  " and name "HA  "))
      2.600     0.800     0.800 peak  1985 weight  0.10000E+01 volume  0.16720E+05 ppm1      0.706 ppm2      5.094
 ASSI { 1990}
   (( segid "    " and resid "57  " and name "HG3 "))
   (( segid "    " and resid "57  " and name "HD2 "))
      2.800     1.000     1.000 peak  1990 weight  0.10000E+01 volume  0.11750E+05 ppm1      0.706 ppm2      2.789
 ASSI { 1995}
   (( segid "    " and resid "57  " and name "HD2 "))
   (( segid "    " and resid "57  " and name "HA  "))
      3.500     1.500     1.500 peak  1995 weight  0.10000E+01 volume  0.29020E+04 ppm1      2.789 ppm2      5.094
 ASSI { 2005}
   (( segid "    " and resid "57  " and name "HD3 "))
   (( segid "    " and resid "57  " and name "HA  "))
      3.000     3.000     4.000 peak  2005 weight  0.10000E+01 volume  0.81510E+04 ppm1      2.677 ppm2      5.094
 ASSI { 2047}
   (( segid "    " and resid "58  " and name "HG21")
     OR 
    ( segid "    " and resid "58  " and name "HG23")
     OR 
    ( segid "    " and resid "58  " and name "HG22"))
   (( segid "    " and resid "58  " and name "HA  "))
      2.600     0.800     0.800 peak  2047 weight  0.10000E+01 volume  0.16960E+05 ppm1      1.013 ppm2      4.498
 ASSI { 2048}
   (( segid "    " and resid "58  " and name "HG21")
     OR 
    ( segid "    " and resid "58  " and name "HG23")
     OR 
    ( segid "    " and resid "58  " and name "HG22"))
   (( segid "    " and resid "58  " and name "HB  "))
      2.300     0.700     0.700 peak  2048 weight  0.10000E+01 volume  0.43600E+05 ppm1      1.013 ppm2      3.954
 ASSI { 2059}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HB2 "))
      2.500     0.800     0.800 peak  2059 weight  0.10000E+01 volume  0.25950E+05 ppm1      4.899 ppm2      1.710
 ASSI { 2060}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HB3 "))
      2.600     0.800     0.800 peak  2060 weight  0.10000E+01 volume  0.17500E+05 ppm1      4.899 ppm2      1.760
 ASSI { 2061}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HG3 "))
      2.400     0.700     0.700 peak  2061 weight  0.10000E+01 volume  0.26820E+05 ppm1      4.899 ppm2      1.586
 OR { 2061}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HG2 "))
 ASSI { 2062}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HD2 "))
      3.000     1.100     1.100 peak  2062 weight  0.10000E+01 volume  0.87460E+04 ppm1      4.899 ppm2      3.043
 OR { 2062}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HD3 "))
 ASSI { 2107}
   (( segid "    " and resid "60  " and name "HA  "))
   (( segid "    " and resid "60  " and name "HB2 "))
      2.100     0.600     0.600 peak  2107 weight  0.10000E+01 volume  0.64070E+05 ppm1      4.849 ppm2      3.717
 ASSI { 2108}
   (( segid "    " and resid "60  " and name "HA  "))
   (( segid "    " and resid "60  " and name "HB3 "))
      2.200     0.600     0.600 peak  2108 weight  0.10000E+01 volume  0.54470E+05 ppm1      4.849 ppm2      2.806
 ASSI { 2119}
   (( segid "    " and resid "60  " and name "HB3 "))
   (( segid "    " and resid "60  " and name "HB2 "))
      1.700     0.400     0.500 peak  2119 weight  0.10000E+01 volume  0.22570E+06 ppm1      2.806 ppm2      3.717
 ASSI { 2166}
   (( segid "    " and resid "62  " and name "HB3 "))
   (( segid "    " and resid "62  " and name "HA  "))
      2.400     0.700     0.700 peak  2166 weight  0.10000E+01 volume  0.31090E+05 ppm1      1.651 ppm2      4.332
 ASSI { 2173}
   (( segid "    " and resid "62  " and name "HG2 "))
   (( segid "    " and resid "62  " and name "HA  "))
      2.700     0.900     0.900 peak  2173 weight  0.10000E+01 volume  0.15920E+05 ppm1      1.444 ppm2      4.332
 OR { 2173}
   (( segid "    " and resid "62  " and name "HG3 "))
   (( segid "    " and resid "62  " and name "HA  "))
 ASSI { 2181}
   (( segid "    " and resid "62  " and name "HD2 "))
   (( segid "    " and resid "62  " and name "HB2 "))
      3.700     1.700     1.700 peak  2181 weight  0.10000E+01 volume  0.23220E+04 ppm1      1.399 ppm2      2.055
 OR { 2181}
   (( segid "    " and resid "62  " and name "HD3 "))
   (( segid "    " and resid "62  " and name "HB2 "))
 ASSI { 2187}
   (( segid "    " and resid "62  " and name "HE3 "))
   (( segid "    " and resid "62  " and name "HA  "))
      5.100     3.300     1.900 peak  2187 weight  0.10000E+01 volume  0.31690E+03 ppm1      2.950 ppm2      4.332
 OR { 2187}
   (( segid "    " and resid "62  " and name "HE2 "))
   (( segid "    " and resid "62  " and name "HA  "))
 ASSI { 2206}
   (( segid "    " and resid "63  " and name "HB2 "))
   (( segid "    " and resid "63  " and name "HA  "))
      2.600     0.800     0.800 peak  2206 weight  0.10000E+01 volume  0.17530E+05 ppm1      2.513 ppm2      3.964
 ASSI { 2215}
   (( segid "    " and resid "63  " and name "HB3 "))
   (( segid "    " and resid "63  " and name "HG2 "))
      2.200     0.600     0.600 peak  2215 weight  0.10000E+01 volume  0.46140E+05 ppm1      2.233 ppm2      2.686
 ASSI { 2218}
   (( segid "    " and resid "63  " and name "HG2 "))
   (( segid "    " and resid "63  " and name "HA  "))
      3.500     1.500     1.500 peak  2218 weight  0.10000E+01 volume  0.30670E+04 ppm1      2.686 ppm2      3.964
 ASSI { 2227}
   (( segid "    " and resid "63  " and name "HG3 "))
   (( segid "    " and resid "63  " and name "HG2 "))
      1.800     0.400     0.400 peak  2227 weight  0.10000E+01 volume  0.17840E+06 ppm1      2.347 ppm2      2.686
 ASSI { 2273}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HB2 "))
      2.800     1.000     1.000 peak  2273 weight  0.10000E+01 volume  0.12760E+05 ppm1      4.725 ppm2      1.922
 ASSI { 2274}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HB3 "))
      2.500     0.800     0.800 peak  2274 weight  0.10000E+01 volume  0.25400E+05 ppm1      4.725 ppm2      1.590
 ASSI { 2275}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HG2 "))
      3.200     1.300     1.300 peak  2275 weight  0.10000E+01 volume  0.56610E+04 ppm1      4.725 ppm2      2.410
 ASSI { 2276}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HG3 "))
      3.500     1.500     1.500 peak  2276 weight  0.10000E+01 volume  0.33680E+04 ppm1      4.725 ppm2      2.370
 ASSI { 2287}
   (( segid "    " and resid "65  " and name "HB3 "))
   (( segid "    " and resid "65  " and name "HG2 "))
      2.900     1.100     1.100 peak  2287 weight  0.10000E+01 volume  0.10040E+05 ppm1      1.590 ppm2      2.410
 ASSI { 2288}
   (( segid "    " and resid "65  " and name "HB3 "))
   (( segid "    " and resid "65  " and name "HG3 "))
      2.500     0.800     0.800 peak  2288 weight  0.10000E+01 volume  0.22600E+05 ppm1      1.590 ppm2      2.370
 ASSI { 2312}
   (( segid "    " and resid "66  " and name "HB  "))
   (( segid "    " and resid "66  " and name "HA  "))
      2.200     0.600     0.600 peak  2312 weight  0.10000E+01 volume  0.48140E+05 ppm1      1.828 ppm2      4.587
 ASSI { 2317}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "66  " and name "HA  "))
      2.800     1.000     1.000 peak  2317 weight  0.10000E+01 volume  0.11670E+05 ppm1      0.648 ppm2      4.587
 ASSI { 2318}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "66  " and name "HB  "))
      2.100     0.600     0.600 peak  2318 weight  0.10000E+01 volume  0.72740E+05 ppm1      0.648 ppm2      1.828
 ASSI { 2322}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "66  " and name "HA  "))
      2.100     0.600     0.600 peak  2322 weight  0.10000E+01 volume  0.65130E+05 ppm1      0.466 ppm2      4.587
 ASSI { 2336}
   (( segid "    " and resid "67  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      2.400     0.700     0.700 peak  2336 weight  0.10000E+01 volume  0.33950E+05 ppm1      4.968 ppm2      6.843
 ASSI { 2337}
   (( segid "    " and resid "67  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.700     1.700     1.700 peak  2337 weight  0.10000E+01 volume  0.22970E+04 ppm1      4.968 ppm2      6.594
 ASSI { 2339}
   (( segid "    " and resid "67  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HA  "))
      2.400     0.700     0.700 peak  2339 weight  0.10000E+01 volume  0.33430E+05 ppm1      2.687 ppm2      4.968
 ASSI { 2343}
   (( segid "    " and resid "67  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      2.900     2.900     4.100 peak  2343 weight  0.10000E+01 volume  0.96740E+04 ppm1      2.687 ppm2      6.594
 ASSI { 2345}
   (( segid "    " and resid "67  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HA  "))
      2.600     0.800     0.800 peak  2345 weight  0.10000E+01 volume  0.18750E+05 ppm1      2.622 ppm2      4.968
 ASSI { 2349}
   (( segid "    " and resid "67  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.500     1.500     1.500 peak  2349 weight  0.10000E+01 volume  0.29500E+04 ppm1      2.622 ppm2      6.594
 ASSI { 2360}
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      1.900     0.500     0.500 peak  2360 weight  0.10000E+01 volume  0.12370E+06 ppm1      6.594 ppm2      6.843
 ASSI { 2371}
   (( segid "    " and resid "68  " and name "HB2 "))
   (( segid "    " and resid "68  " and name "HA  "))
      2.400     0.700     0.700 peak  2371 weight  0.10000E+01 volume  0.28600E+05 ppm1      2.890 ppm2      5.191
 ASSI { 2375}
   (( segid "    " and resid "68  " and name "HB3 "))
   (( segid "    " and resid "68  " and name "HA  "))
      2.300     0.700     0.700 peak  2375 weight  0.10000E+01 volume  0.39640E+05 ppm1      2.840 ppm2      5.191
 ASSI { 2385}
   (( segid "    " and resid "69  " and name "HA  "))
   (( segid "    " and resid "69  " and name "HB3 "))
      2.500     0.800     0.800 peak  2385 weight  0.10000E+01 volume  0.23830E+05 ppm1      4.781 ppm2      1.554
 OR { 2385}
   (( segid "    " and resid "69  " and name "HA  "))
   (( segid "    " and resid "69  " and name "HB2 "))
 ASSI { 2386}
   (( segid "    " and resid "69  " and name "HA  "))
   (( segid "    " and resid "69  " and name "HG  "))
      2.600     0.800     0.800 peak  2386 weight  0.10000E+01 volume  0.18060E+05 ppm1      4.781 ppm2      1.683
 ASSI { 2387}
   (( segid "    " and resid "69  " and name "HA  "))
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
      2.300     0.700     0.700 peak  2387 weight  0.10000E+01 volume  0.42310E+05 ppm1      4.781 ppm2      0.968
 ASSI { 2392}
   (( segid "    " and resid "69  " and name "HB2 "))
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
      2.000     0.500     0.500 peak  2392 weight  0.10000E+01 volume  0.98720E+05 ppm1      1.554 ppm2      0.968
 OR { 2392}
   (( segid "    " and resid "69  " and name "HB3 "))
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
 OR { 2392}
   (( segid "    " and resid "69  " and name "HB3 "))
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
 ASSI { 2410}
   (( segid "    " and resid "70  " and name "HB2 "))
   (( segid "    " and resid "70  " and name "HA  "))
      2.200     0.600     0.600 peak  2410 weight  0.10000E+01 volume  0.46090E+05 ppm1      2.350 ppm2      4.428
 ASSI { 2415}
   (( segid "    " and resid "70  " and name "HB2 "))
   (( segid "    " and resid "70  " and name "HD2 "))
      3.400     1.400     1.400 peak  2415 weight  0.10000E+01 volume  0.35820E+04 ppm1      2.350 ppm2      3.846
 ASSI { 2416}
   (( segid "    " and resid "70  " and name "HB2 "))
   (( segid "    " and resid "70  " and name "HD3 "))
      4.000     2.000     2.000 peak  2416 weight  0.10000E+01 volume  0.14890E+04 ppm1      2.350 ppm2      3.768
 ASSI { 2417}
   (( segid "    " and resid "70  " and name "HB3 "))
   (( segid "    " and resid "70  " and name "HA  "))
      2.500     0.800     0.800 peak  2417 weight  0.10000E+01 volume  0.24530E+05 ppm1      2.024 ppm2      4.428
 ASSI { 2423}
   (( segid "    " and resid "70  " and name "HB3 "))
   (( segid "    " and resid "70  " and name "HD3 "))
      2.800     1.000     1.000 peak  2423 weight  0.10000E+01 volume  0.11010E+05 ppm1      2.024 ppm2      3.768
 ASSI { 2424}
   (( segid "    " and resid "70  " and name "HG2 "))
   (( segid "    " and resid "70  " and name "HA  "))
      3.200     1.300     1.300 peak  2424 weight  0.10000E+01 volume  0.54350E+04 ppm1      2.190 ppm2      4.428
 ASSI { 2429}
   (( segid "    " and resid "70  " and name "HG2 "))
   (( segid "    " and resid "70  " and name "HD2 "))
      2.500     0.800     0.800 peak  2429 weight  0.10000E+01 volume  0.23290E+05 ppm1      2.190 ppm2      3.846
 ASSI { 2430}
   (( segid "    " and resid "70  " and name "HG2 "))
   (( segid "    " and resid "70  " and name "HD3 "))
      2.600     0.800     0.800 peak  2430 weight  0.10000E+01 volume  0.16740E+05 ppm1      2.190 ppm2      3.768
 ASSI { 2431}
   (( segid "    " and resid "70  " and name "HG3 "))
   (( segid "    " and resid "70  " and name "HA  "))
      3.500     1.500     1.500 peak  2431 weight  0.10000E+01 volume  0.30680E+04 ppm1      2.122 ppm2      4.428
 ASSI { 2436}
   (( segid "    " and resid "70  " and name "HG3 "))
   (( segid "    " and resid "70  " and name "HD2 "))
      2.700     0.900     0.900 peak  2436 weight  0.10000E+01 volume  0.15870E+05 ppm1      2.122 ppm2      3.846
 ASSI { 2437}
   (( segid "    " and resid "70  " and name "HG3 "))
   (( segid "    " and resid "70  " and name "HD3 "))
      2.400     0.700     0.700 peak  2437 weight  0.10000E+01 volume  0.33960E+05 ppm1      2.122 ppm2      3.768
 ASSI { 2438}
   (( segid "    " and resid "70  " and name "HD2 "))
   (( segid "    " and resid "70  " and name "HA  "))
      3.300     1.400     1.400 peak  2438 weight  0.10000E+01 volume  0.48070E+04 ppm1      3.846 ppm2      4.428
 ASSI { 2445}
   (( segid "    " and resid "70  " and name "HD3 "))
   (( segid "    " and resid "70  " and name "HA  "))
      3.600     1.600     1.600 peak  2445 weight  0.10000E+01 volume  0.26670E+04 ppm1      3.768 ppm2      4.428
 ASSI { 2513}
   (( segid "    " and resid "73  " and name "HB3 "))
   (( segid "    " and resid "73  " and name "HD22")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD21"))
      2.800     1.000     1.000 peak  2513 weight  0.10000E+01 volume  0.11220E+05 ppm1      1.633 ppm2      0.889
 ASSI { 2522}
   (( segid "    " and resid "73  " and name "HD12")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD11"))
   (( segid "    " and resid "73  " and name "HA  "))
      3.600     1.600     1.600 peak  2522 weight  0.10000E+01 volume  0.25080E+04 ppm1      0.956 ppm2      4.379
 ASSI { 2529}
   (( segid "    " and resid "73  " and name "HD22")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD21"))
   (( segid "    " and resid "73  " and name "HA  "))
      2.700     0.900     0.900 peak  2529 weight  0.10000E+01 volume  0.13510E+05 ppm1      0.889 ppm2      4.379
 ASSI { 2560}
   (( segid "    " and resid "75  " and name "HG12")
     OR 
    ( segid "    " and resid "75  " and name "HG13")
     OR 
    ( segid "    " and resid "75  " and name "HG11"))
   (( segid "    " and resid "75  " and name "HA  "))
      3.100     1.200     1.200 peak  2560 weight  0.10000E+01 volume  0.70300E+04 ppm1      0.985 ppm2      4.456
 ASSI { 2565}
   (( segid "    " and resid "75  " and name "HG22")
     OR 
    ( segid "    " and resid "75  " and name "HG23")
     OR 
    ( segid "    " and resid "75  " and name "HG21"))
   (( segid "    " and resid "75  " and name "HA  "))
      3.200     1.300     1.300 peak  2565 weight  0.10000E+01 volume  0.55160E+04 ppm1      0.920 ppm2      4.456
 ASSI { 2579}
   (( segid "    " and resid "76  " and name "HB2 "))
   (( segid "    " and resid "76  " and name "HD2 "))
      4.200     2.200     2.200 peak  2579 weight  0.10000E+01 volume  0.10780E+04 ppm1      2.327 ppm2      3.915
 ASSI { 2580}
   (( segid "    " and resid "76  " and name "HB2 "))
   (( segid "    " and resid "76  " and name "HD3 "))
      4.500     2.500     2.500 peak  2580 weight  0.10000E+01 volume  0.69620E+03 ppm1      2.327 ppm2      3.706
 ASSI { 2592}
   (( segid "    " and resid "76  " and name "HG3 "))
   (( segid "    " and resid "76  " and name "HD3 "))
      3.000     1.100     1.100 peak  2592 weight  0.10000E+01 volume  0.86480E+04 ppm1      2.058 ppm2      3.706
 OR { 2592}
   (( segid "    " and resid "76  " and name "HG2 "))
   (( segid "    " and resid "76  " and name "HD3 "))
 ASSI { 2669}
   (( segid "    " and resid "56  " and name "HA  "))
   (( segid "    " and resid "57  " and name "HA  "))
      3.800     1.800     1.800 peak  2669 weight  0.10000E+01 volume  0.18230E+04 ppm1      4.677 ppm2      5.097
 ASSI { 2670}
   (( segid "    " and resid "58  " and name "HA  "))
   (( segid "    " and resid "57  " and name "HA  "))
      3.800     1.800     1.800 peak  2670 weight  0.10000E+01 volume  0.19470E+04 ppm1      4.490 ppm2      5.095
 ASSI { 2671}
   (( segid "    " and resid "19  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HA  "))
      4.100     2.100     2.100 peak  2671 weight  0.10000E+01 volume  0.12020E+04 ppm1      4.278 ppm2      5.193
 ASSI { 2672}
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HA  "))
      2.700     0.900     0.900 peak  2672 weight  0.10000E+01 volume  0.13490E+05 ppm1      3.985 ppm2      5.192
 ASSI { 2673}
   (( segid "    " and resid "58  " and name "HB  "))
   (( segid "    " and resid "57  " and name "HA  "))
      4.100     2.100     2.100 peak  2673 weight  0.10000E+01 volume  0.11400E+04 ppm1      3.943 ppm2      5.094
 ASSI { 2674}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "25  " and name "HA  "))
      3.700     1.700     1.700 peak  2674 weight  0.10000E+01 volume  0.21330E+04 ppm1      3.798 ppm2      5.285
 ASSI { 2676}
   (( segid "    " and resid "21  " and name "HG2 "))
   (( segid "    " and resid "68  " and name "HA  "))
      3.700     1.700     1.700 peak  2676 weight  0.10000E+01 volume  0.21700E+04 ppm1      2.419 ppm2      5.194
 ASSI { 2677}
   (( segid "    " and resid "21  " and name "HG3 "))
   (( segid "    " and resid "68  " and name "HA  "))
      3.000     1.100     1.100 peak  2677 weight  0.10000E+01 volume  0.76730E+04 ppm1      2.323 ppm2      5.193
 ASSI { 2678}
   (( segid "    " and resid "67  " and name "HB2 "))
   (( segid "    " and resid "68  " and name "HA  "))
      3.800     1.800     1.800 peak  2678 weight  0.10000E+01 volume  0.18450E+04 ppm1      2.691 ppm2      5.194
 ASSI { 2679}
   (( segid "    " and resid "68  " and name "HB3 "))
   (( segid "    " and resid "57  " and name "HA  "))
      3.800     1.800     1.800 peak  2679 weight  0.10000E+01 volume  0.18390E+04 ppm1      2.853 ppm2      5.096
 ASSI { 2681}
   (( segid "    " and resid "26  " and name "HB2 "))
   (( segid "    " and resid "25  " and name "HA  "))
      4.100     2.100     2.100 peak  2681 weight  0.10000E+01 volume  0.12780E+04 ppm1      2.082 ppm2      5.285
 ASSI { 2682}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "25  " and name "HA  "))
      4.500     2.500     2.500 peak  2682 weight  0.10000E+01 volume  0.72130E+03 ppm1      1.939 ppm2      5.286
 ASSI { 2683}
   (( segid "    " and resid "18  " and name "HB2 "))
   (( segid "    " and resid "68  " and name "HA  "))
      3.400     1.400     1.400 peak  2683 weight  0.10000E+01 volume  0.36830E+04 ppm1      1.864 ppm2      5.192
 ASSI { 2684}
   (( segid "    " and resid "66  " and name "HB  "))
   (( segid "    " and resid "57  " and name "HA  "))
      4.800     2.900     2.200 peak  2684 weight  0.10000E+01 volume  0.46830E+03 ppm1      1.840 ppm2      5.091
 ASSI { 2685}
   (( segid "    " and resid "66  " and name "HB  "))
   (( segid "    " and resid "67  " and name "HA  "))
      4.400     2.400     2.400 peak  2685 weight  0.10000E+01 volume  0.75620E+03 ppm1      1.834 ppm2      4.964
 ASSI { 2686}
   (( segid "    " and resid "56  " and name "HB  "))
   (( segid "    " and resid "57  " and name "HA  "))
      5.000     3.100     2.000 peak  2686 weight  0.10000E+01 volume  0.36020E+03 ppm1      2.133 ppm2      5.094
 ASSI { 2687}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "25  " and name "HA  "))
      4.100     2.100     2.100 peak  2687 weight  0.10000E+01 volume  0.12670E+04 ppm1      0.457 ppm2      5.285
 OR { 2687}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "25  " and name "HA  "))
 ASSI { 2688}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "25  " and name "HA  "))
      4.700     2.800     2.300 peak  2688 weight  0.10000E+01 volume  0.55440E+03 ppm1      0.520 ppm2      5.286
 ASSI { 2689}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "68  " and name "HA  "))
      3.400     1.400     1.400 peak  2689 weight  0.10000E+01 volume  0.34740E+04 ppm1      0.483 ppm2      5.194
 ASSI { 2690}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "68  " and name "HA  "))
      2.900     1.100     1.100 peak  2690 weight  0.10000E+01 volume  0.87880E+04 ppm1      0.421 ppm2      5.193
 ASSI { 2691}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "68  " and name "HA  "))
      4.000     2.000     2.000 peak  2691 weight  0.10000E+01 volume  0.13370E+04 ppm1      0.644 ppm2      5.193
 ASSI { 2692}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "68  " and name "HA  "))
      4.400     2.400     2.400 peak  2692 weight  0.10000E+01 volume  0.81470E+03 ppm1      0.759 ppm2      5.195
 ASSI { 2693}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "68  " and name "HA  "))
      4.000     2.000     2.000 peak  2693 weight  0.10000E+01 volume  0.15070E+04 ppm1      0.959 ppm2      5.193
 OR { 2693}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "68  " and name "HA  "))
 ASSI { 2694}
   (( segid "    " and resid "58  " and name "HG21")
     OR 
    ( segid "    " and resid "58  " and name "HG23")
     OR 
    ( segid "    " and resid "58  " and name "HG22"))
   (( segid "    " and resid "68  " and name "HA  "))
      4.400     2.400     2.400 peak  2694 weight  0.10000E+01 volume  0.81310E+03 ppm1      1.010 ppm2      5.194
 ASSI { 2696}
   (( segid "    " and resid "18  " and name "HB3 "))
   (( segid "    " and resid "68  " and name "HA  "))
      2.700     0.900     0.900 peak  2696 weight  0.10000E+01 volume  0.16610E+05 ppm1      1.183 ppm2      5.193
 ASSI { 2697}
   (( segid "    " and resid "18  " and name "HG  "))
   (( segid "    " and resid "68  " and name "HA  "))
      3.700     1.700     1.700 peak  2697 weight  0.10000E+01 volume  0.21920E+04 ppm1      1.271 ppm2      5.193
 ASSI { 2698}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "68  " and name "HA  "))
      5.400     3.600     1.600 peak  2698 weight  0.10000E+01 volume  0.23840E+03 ppm1      1.458 ppm2      5.193
 ASSI { 2699}
   (( segid "    " and resid "69  " and name "HB3 "))
   (( segid "    " and resid "68  " and name "HA  "))
      4.500     2.500     2.500 peak  2699 weight  0.10000E+01 volume  0.68050E+03 ppm1      1.554 ppm2      5.194
 OR { 2699}
   (( segid "    " and resid "69  " and name "HB2 "))
   (( segid "    " and resid "68  " and name "HA  "))
 ASSI { 2700}
   (( segid "    " and resid "19  " and name "HG2 "))
   (( segid "    " and resid "68  " and name "HA  "))
      3.900     1.900     1.900 peak  2700 weight  0.10000E+01 volume  0.15260E+04 ppm1      1.614 ppm2      5.194
 ASSI { 2701}
   (( segid "    " and resid "58  " and name "HG21")
     OR 
    ( segid "    " and resid "58  " and name "HG23")
     OR 
    ( segid "    " and resid "58  " and name "HG22"))
   (( segid "    " and resid "57  " and name "HA  "))
      3.400     1.400     1.400 peak  2701 weight  0.10000E+01 volume  0.34440E+04 ppm1      1.012 ppm2      5.094
 ASSI { 2702}
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
   (( segid "    " and resid "57  " and name "HA  "))
      4.100     2.100     2.100 peak  2702 weight  0.10000E+01 volume  0.11910E+04 ppm1      0.970 ppm2      5.095
 ASSI { 2703}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "57  " and name "HA  "))
      3.400     1.400     1.400 peak  2703 weight  0.10000E+01 volume  0.35070E+04 ppm1      0.759 ppm2      5.095
 ASSI { 2704}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "57  " and name "HA  "))
      3.500     1.500     1.500 peak  2704 weight  0.10000E+01 volume  0.30290E+04 ppm1      0.645 ppm2      5.094
 ASSI { 2705}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "67  " and name "HA  "))
      3.700     1.700     1.700 peak  2705 weight  0.10000E+01 volume  0.21910E+04 ppm1      1.459 ppm2      4.970
 ASSI { 2706}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HA  "))
      3.400     1.400     1.400 peak  2706 weight  0.10000E+01 volume  0.35170E+04 ppm1      1.347 ppm2      4.969
 ASSI { 2707}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "67  " and name "HA  "))
      3.500     1.500     1.500 peak  2707 weight  0.10000E+01 volume  0.29630E+04 ppm1      1.059 ppm2      4.967
 ASSI { 2708}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "67  " and name "HA  "))
      3.800     1.800     1.800 peak  2708 weight  0.10000E+01 volume  0.17750E+04 ppm1      0.753 ppm2      4.968
 ASSI { 2709}
   (( segid "    " and resid "57  " and name "HG3 "))
   (( segid "    " and resid "67  " and name "HA  "))
      3.100     1.200     1.200 peak  2709 weight  0.10000E+01 volume  0.63180E+04 ppm1      0.706 ppm2      4.967
 ASSI { 2710}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "67  " and name "HA  "))
      3.600     1.600     1.600 peak  2710 weight  0.10000E+01 volume  0.28400E+04 ppm1      0.644 ppm2      4.967
 ASSI { 2711}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "67  " and name "HA  "))
      4.700     2.800     2.300 peak  2711 weight  0.10000E+01 volume  0.51120E+03 ppm1      0.528 ppm2      4.967
 ASSI { 2712}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "67  " and name "HA  "))
      4.200     2.200     2.200 peak  2712 weight  0.10000E+01 volume  0.99250E+03 ppm1      0.473 ppm2      4.969
 ASSI { 2713}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "67  " and name "HA  "))
      3.200     3.200     3.800 peak  2713 weight  0.10000E+01 volume  0.55510E+04 ppm1      0.423 ppm2      4.969
 ASSI { 2714}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "63  " and name "HA  "))
      3.700     1.700     1.700 peak  2714 weight  0.10000E+01 volume  0.22980E+04 ppm1      4.895 ppm2      3.961
 ASSI { 2715}
   (( segid "    " and resid "23  " and name "HA  "))
   (( segid "    " and resid "28  " and name "HB2 "))
      4.100     2.100     2.100 peak  2715 weight  0.10000E+01 volume  0.11680E+04 ppm1      4.750 ppm2      2.492
 ASSI { 2716}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "58  " and name "HG21")
     OR 
    ( segid "    " and resid "58  " and name "HG23")
     OR 
    ( segid "    " and resid "58  " and name "HG22"))
      4.800     2.900     2.200 peak  2716 weight  0.10000E+01 volume  0.47560E+03 ppm1      4.894 ppm2      1.019
 ASSI { 2717}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
      3.800     1.800     1.800 peak  2717 weight  0.10000E+01 volume  0.20300E+04 ppm1      4.895 ppm2      0.648
 ASSI { 2718}
   (( segid "    " and resid "60  " and name "HA  "))
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
      3.500     1.500     1.500 peak  2718 weight  0.10000E+01 volume  0.33510E+04 ppm1      4.848 ppm2      0.648
 ASSI { 2719}
   (( segid "    " and resid "60  " and name "HA  "))
   (( segid "    " and resid "58  " and name "HG21")
     OR 
    ( segid "    " and resid "58  " and name "HG23")
     OR 
    ( segid "    " and resid "58  " and name "HG22"))
      4.200     2.200     2.200 peak  2719 weight  0.10000E+01 volume  0.11220E+04 ppm1      4.848 ppm2      1.017
 ASSI { 2720}
   (( segid "    " and resid "60  " and name "HA  "))
   (( segid "    " and resid "61  " and name "HB2 ")
     OR 
    ( segid "    " and resid "61  " and name "HB3 ")
     OR 
    ( segid "    " and resid "61  " and name "HB1 "))
      4.600     2.600     2.400 peak  2720 weight  0.10000E+01 volume  0.64970E+03 ppm1      4.848 ppm2      1.469
 ASSI { 2721}
   (( segid "    " and resid "24  " and name "HA  "))
   (( segid "    " and resid "66  " and name "HB  "))
      3.300     1.400     1.400 peak  2721 weight  0.10000E+01 volume  0.46160E+04 ppm1      4.791 ppm2      1.840
 ASSI { 2723}
   (( segid "    " and resid "69  " and name "HA  "))
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
      3.800     1.800     1.800 peak  2723 weight  0.10000E+01 volume  0.18470E+04 ppm1      4.777 ppm2      1.466
 ASSI { 2724}
   (( segid "    " and resid "24  " and name "HA  "))
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
      4.800     2.900     2.200 peak  2724 weight  0.10000E+01 volume  0.46860E+03 ppm1      4.796 ppm2      0.651
 ASSI { 2725}
   (( segid "    " and resid "69  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
      4.100     2.100     2.100 peak  2725 weight  0.10000E+01 volume  0.12160E+04 ppm1      4.776 ppm2      0.765
 ASSI { 2726}
   (( segid "    " and resid "24  " and name "HA  "))
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
      2.900     1.100     1.100 peak  2726 weight  0.10000E+01 volume  0.88160E+04 ppm1      4.795 ppm2      0.473
 ASSI { 2727}
   (( segid "    " and resid "69  " and name "HA  "))
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
      3.600     1.600     1.600 peak  2727 weight  0.10000E+01 volume  0.26050E+04 ppm1      4.775 ppm2      0.422
 ASSI { 2728}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HB2 "))
      4.100     2.100     2.100 peak  2728 weight  0.10000E+01 volume  0.11670E+04 ppm1      4.719 ppm2      1.720
 ASSI { 2729}
   (( segid "    " and resid "42  " and name "HA  "))
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
      3.500     1.500     1.500 peak  2729 weight  0.10000E+01 volume  0.29170E+04 ppm1      4.715 ppm2      0.922
 ASSI { 2730}
   (( segid "    " and resid "42  " and name "HA  "))
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
      2.900     1.100     1.100 peak  2730 weight  0.10000E+01 volume  0.92480E+04 ppm1      4.716 ppm2      0.846
 ASSI { 2731}
   (( segid "    " and resid "42  " and name "HA  "))
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
      2.600     0.800     0.800 peak  2731 weight  0.10000E+01 volume  0.17870E+05 ppm1      4.716 ppm2      0.803
 ASSI { 2732}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
      3.500     1.500     1.500 peak  2732 weight  0.10000E+01 volume  0.29070E+04 ppm1      4.720 ppm2      0.648
 ASSI { 2733}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
      3.600     1.600     1.600 peak  2733 weight  0.10000E+01 volume  0.27430E+04 ppm1      4.717 ppm2      0.469
 ASSI { 2737}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "38  " and name "HA  "))
      4.000     2.000     2.000 peak  2737 weight  0.10000E+01 volume  0.13810E+04 ppm1      0.252 ppm2      4.543
 ASSI { 2738}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "22  " and name "HA  "))
      2.400     0.700     0.700 peak  2738 weight  0.10000E+01 volume  0.32400E+05 ppm1      0.465 ppm2      4.516
 ASSI { 2739}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "55  " and name "HA  "))
      3.200     1.300     1.300 peak  2739 weight  0.10000E+01 volume  0.51610E+04 ppm1      0.759 ppm2      4.586
 ASSI { 2740}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "55  " and name "HA  "))
      2.500     0.800     0.800 peak  2740 weight  0.10000E+01 volume  0.22380E+05 ppm1      0.962 ppm2      4.586
 ASSI { 2741}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "58  " and name "HA  "))
      4.100     2.100     2.100 peak  2741 weight  0.10000E+01 volume  0.13050E+04 ppm1      0.759 ppm2      4.493
 ASSI { 2742}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "70  " and name "HA  "))
      2.900     1.100     1.100 peak  2742 weight  0.10000E+01 volume  0.10500E+05 ppm1      0.759 ppm2      4.429
 ASSI { 2743}
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
   (( segid "    " and resid "70  " and name "HA  "))
      3.200     1.300     1.300 peak  2743 weight  0.10000E+01 volume  0.51130E+04 ppm1      0.965 ppm2      4.430
 ASSI { 2744}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "19  " and name "HA  "))
      3.200     1.300     1.300 peak  2744 weight  0.10000E+01 volume  0.52860E+04 ppm1      0.960 ppm2      4.281
 OR { 2744}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "19  " and name "HA  "))
 ASSI { 2745}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "64  " and name "HA  "))
      4.400     2.400     2.400 peak  2745 weight  0.10000E+01 volume  0.77920E+03 ppm1      0.462 ppm2      4.332
 ASSI { 2746}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "17  " and name "HA  "))
      4.900     3.000     2.100 peak  2746 weight  0.10000E+01 volume  0.41180E+03 ppm1      0.421 ppm2      4.279
 ASSI { 2747}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "33  " and name "HA  "))
      2.700     0.900     0.900 peak  2747 weight  0.10000E+01 volume  0.15150E+05 ppm1      0.517 ppm2      4.220
 ASSI { 2748}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "33  " and name "HA  "))
      3.700     1.700     1.700 peak  2748 weight  0.10000E+01 volume  0.23720E+04 ppm1      0.257 ppm2      4.219
 ASSI { 2749}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "41  " and name "HA  "))
      3.900     1.900     1.900 peak  2749 weight  0.10000E+01 volume  0.16230E+04 ppm1      0.255 ppm2      4.132
 ASSI { 2750}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HA  "))
      4.100     2.100     2.100 peak  2750 weight  0.10000E+01 volume  0.11400E+04 ppm1      0.255 ppm2      3.859
 ASSI { 2751}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "24  " and name "HB2 "))
      2.100     0.600     0.600 peak  2751 weight  0.10000E+01 volume  0.71490E+05 ppm1      0.458 ppm2      4.080
 ASSI { 2752}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "21  " and name "HA  "))
      2.500     0.800     0.800 peak  2752 weight  0.10000E+01 volume  0.22730E+05 ppm1      0.642 ppm2      3.978
 ASSI { 2753}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "24  " and name "HB3 "))
      2.800     1.000     1.000 peak  2753 weight  0.10000E+01 volume  0.12690E+05 ppm1      0.463 ppm2      3.935
 ASSI { 2754}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "58  " and name "HB  "))
      3.300     1.400     1.400 peak  2754 weight  0.10000E+01 volume  0.47670E+04 ppm1      0.759 ppm2      3.951
 ASSI { 2755}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "27  " and name "HA1 "))
      3.300     1.400     1.400 peak  2755 weight  0.10000E+01 volume  0.43850E+04 ppm1      0.841 ppm2      4.054
 ASSI { 2756}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "31  " and name "HA  "))
      2.800     1.000     1.000 peak  2756 weight  0.10000E+01 volume  0.11110E+05 ppm1      0.798 ppm2      4.156
 ASSI { 2757}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "33  " and name "HA  "))
      3.700     1.700     1.700 peak  2757 weight  0.10000E+01 volume  0.23130E+04 ppm1      0.712 ppm2      4.217
 OR { 2757}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "33  " and name "HA  "))
 ASSI { 2758}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "47  " and name "HB3 "))
      2.900     1.100     1.100 peak  2758 weight  0.10000E+01 volume  0.95640E+04 ppm1      0.945 ppm2      4.079
 OR { 2758}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "47  " and name "HB2 "))
 ASSI { 2759}
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
   (( segid "    " and resid "12  " and name "HA  "))
      3.200     1.300     1.300 peak  2759 weight  0.10000E+01 volume  0.56170E+04 ppm1      0.861 ppm2      3.901
 ASSI { 2760}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "18  " and name "HA  "))
      3.500     1.500     1.500 peak  2760 weight  0.10000E+01 volume  0.34000E+04 ppm1      0.959 ppm2      4.000
 OR { 2760}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "18  " and name "HA  "))
 ASSI { 2761}
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
   (( segid "    " and resid "8   " and name "HA  "))
      3.100     1.200     1.200 peak  2761 weight  0.10000E+01 volume  0.61410E+04 ppm1      1.095 ppm2      4.155
 ASSI { 2764}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HA  "))
      4.000     2.000     2.000 peak  2764 weight  0.10000E+01 volume  0.13560E+04 ppm1      0.421 ppm2      3.859
 ASSI { 2765}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HA  "))
      2.500     0.800     0.800 peak  2765 weight  0.10000E+01 volume  0.25580E+05 ppm1      0.516 ppm2      3.859
 ASSI { 2766}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HA  "))
      2.600     0.800     0.800 peak  2766 weight  0.10000E+01 volume  0.18800E+05 ppm1      0.573 ppm2      3.862
 ASSI { 2767}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "26  " and name "HA  "))
      2.900     1.100     1.100 peak  2767 weight  0.10000E+01 volume  0.90540E+04 ppm1      0.460 ppm2      3.803
 ASSI { 2770}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "70  " and name "HD2 "))
      2.900     1.100     1.100 peak  2770 weight  0.10000E+01 volume  0.95620E+04 ppm1      0.763 ppm2      3.855
 ASSI { 2771}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "70  " and name "HD3 "))
      3.900     1.900     1.900 peak  2771 weight  0.10000E+01 volume  0.17360E+04 ppm1      0.763 ppm2      3.768
 ASSI { 2772}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "60  " and name "HB2 "))
      3.000     1.100     1.100 peak  2772 weight  0.10000E+01 volume  0.83680E+04 ppm1      0.645 ppm2      3.713
 ASSI { 2773}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "60  " and name "HB2 "))
      4.800     2.900     2.200 peak  2773 weight  0.10000E+01 volume  0.47990E+03 ppm1      0.465 ppm2      3.714
 ASSI { 2774}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "27  " and name "HA2 "))
      3.400     1.400     1.400 peak  2774 weight  0.10000E+01 volume  0.39940E+04 ppm1      0.806 ppm2      3.720
 ASSI { 2775}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "27  " and name "HA2 "))
      2.700     0.900     0.900 peak  2775 weight  0.10000E+01 volume  0.16600E+05 ppm1      0.843 ppm2      3.720
 ASSI { 2776}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "26  " and name "HA  "))
      3.500     1.500     1.500 peak  2776 weight  0.10000E+01 volume  0.33920E+04 ppm1      0.843 ppm2      3.801
 ASSI { 2777}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "43  " and name "HA  "))
      2.200     0.600     0.600 peak  2777 weight  0.10000E+01 volume  0.53110E+05 ppm1      0.841 ppm2      3.608
 ASSI { 2780}
   (( segid "    " and resid "75  " and name "HG12")
     OR 
    ( segid "    " and resid "75  " and name "HG13")
     OR 
    ( segid "    " and resid "75  " and name "HG11"))
   (( segid "    " and resid "76  " and name "HD3 "))
      3.200     1.300     1.300 peak  2780 weight  0.10000E+01 volume  0.54160E+04 ppm1      0.985 ppm2      3.706
 ASSI { 2781}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "70  " and name "HD3 "))
      2.500     0.800     0.800 peak  2781 weight  0.10000E+01 volume  0.22850E+05 ppm1      0.960 ppm2      3.770
 ASSI { 2782}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "26  " and name "HA  "))
      2.500     0.800     0.800 peak  2782 weight  0.10000E+01 volume  0.22830E+05 ppm1      0.947 ppm2      3.803
 ASSI { 2783}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "70  " and name "HD2 "))
      2.700     0.900     0.900 peak  2783 weight  0.10000E+01 volume  0.16120E+05 ppm1      0.963 ppm2      3.851
 ASSI { 2784}
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HA  "))
      3.000     1.100     1.100 peak  2784 weight  0.10000E+01 volume  0.76430E+04 ppm1      0.668 ppm2      3.864
 ASSI { 2785}
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
   (( segid "    " and resid "58  " and name "HB  "))
      3.000     3.000     4.000 peak  2785 weight  0.10000E+01 volume  0.80050E+04 ppm1      0.965 ppm2      3.948
 ASSI { 2786}
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
   (( segid "    " and resid "26  " and name "HA  "))
      3.300     1.400     1.400 peak  2786 weight  0.10000E+01 volume  0.45890E+04 ppm1      0.900 ppm2      3.801
 ASSI { 2787}
   (( segid "    " and resid "61  " and name "HB2 ")
     OR 
    ( segid "    " and resid "61  " and name "HB3 ")
     OR 
    ( segid "    " and resid "61  " and name "HB1 "))
   (( segid "    " and resid "60  " and name "HB2 "))
      3.900     1.900     1.900 peak  2787 weight  0.10000E+01 volume  0.17180E+04 ppm1      1.468 ppm2      3.715
 ASSI { 2788}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "26  " and name "HA  "))
      3.200     3.200     3.800 peak  2788 weight  0.10000E+01 volume  0.50100E+04 ppm1      1.413 ppm2      3.803
 ASSI { 2789}
   (( segid "    " and resid "69  " and name "HB2 "))
   (( segid "    " and resid "70  " and name "HD3 "))
      3.400     1.400     1.400 peak  2789 weight  0.10000E+01 volume  0.38350E+04 ppm1      1.555 ppm2      3.765
 OR { 2789}
   (( segid "    " and resid "69  " and name "HB3 "))
   (( segid "    " and resid "70  " and name "HD3 "))
 ASSI { 2790}
   (( segid "    " and resid "73  " and name "HB3 "))
   (( segid "    " and resid "70  " and name "HD3 "))
      3.300     1.400     1.400 peak  2790 weight  0.10000E+01 volume  0.45510E+04 ppm1      1.616 ppm2      3.766
 ASSI { 2791}
   (( segid "    " and resid "69  " and name "HG  "))
   (( segid "    " and resid "70  " and name "HD3 "))
      2.500     0.800     0.800 peak  2791 weight  0.10000E+01 volume  0.21460E+05 ppm1      1.680 ppm2      3.765
 ASSI { 2792}
   (( segid "    " and resid "59  " and name "HG3 "))
   (( segid "    " and resid "63  " and name "HA  "))
      2.500     0.800     0.800 peak  2792 weight  0.10000E+01 volume  0.22140E+05 ppm1      1.578 ppm2      3.959
 OR { 2792}
   (( segid "    " and resid "59  " and name "HG2 "))
   (( segid "    " and resid "63  " and name "HA  "))
 ASSI { 2793}
   (( segid "    " and resid "59  " and name "HB2 "))
   (( segid "    " and resid "63  " and name "HA  "))
      2.500     0.800     0.800 peak  2793 weight  0.10000E+01 volume  0.23480E+05 ppm1      1.721 ppm2      3.960
 ASSI { 2794}
   (( segid "    " and resid "45  " and name "HD3 "))
   (( segid "    " and resid "41  " and name "HA  "))
      2.600     0.800     0.800 peak  2794 weight  0.10000E+01 volume  0.17910E+05 ppm1      1.683 ppm2      4.140
 OR { 2794}
   (( segid "    " and resid "45  " and name "HD2 "))
   (( segid "    " and resid "41  " and name "HA  "))
 ASSI { 2795}
   (( segid "    " and resid "71  " and name "HB2 ")
     OR 
    ( segid "    " and resid "71  " and name "HB3 ")
     OR 
    ( segid "    " and resid "71  " and name "HB1 "))
   (( segid "    " and resid "70  " and name "HA  "))
      3.900     1.900     1.900 peak  2795 weight  0.10000E+01 volume  0.17680E+04 ppm1      1.391 ppm2      4.428
 ASSI { 2796}
   (( segid "    " and resid "59  " and name "HG2 "))
   (( segid "    " and resid "58  " and name "HA  "))
      3.900     1.900     1.900 peak  2796 weight  0.10000E+01 volume  0.15810E+04 ppm1      1.582 ppm2      4.492
 OR { 2796}
   (( segid "    " and resid "59  " and name "HG3 "))
   (( segid "    " and resid "58  " and name "HA  "))
 ASSI { 2798}
   (( segid "    " and resid "65  " and name "HE2 ")
     OR 
    ( segid "    " and resid "65  " and name "HE3 ")
     OR 
    ( segid "    " and resid "65  " and name "HE1 "))
   (( segid "    " and resid "58  " and name "HA  "))
      2.900     1.100     1.100 peak  2798 weight  0.10000E+01 volume  0.10470E+05 ppm1      1.844 ppm2      4.492
 ASSI { 2799}
   (( segid "    " and resid "59  " and name "HB2 "))
   (( segid "    " and resid "58  " and name "HA  "))
      4.100     2.100     2.100 peak  2799 weight  0.10000E+01 volume  0.12650E+04 ppm1      1.725 ppm2      4.494
 ASSI { 2802}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "43  " and name "HA  "))
      3.200     1.300     1.300 peak  2802 weight  0.10000E+01 volume  0.53660E+04 ppm1      1.937 ppm2      3.609
 ASSI { 2807}
   (( segid "    " and resid "34  " and name "HG3 "))
   (( segid "    " and resid "39  " and name "HA  "))
      3.200     1.300     1.300 peak  2807 weight  0.10000E+01 volume  0.56010E+04 ppm1      2.486 ppm2      4.603
 ASSI { 2809}
   (( segid "    " and resid "68  " and name "HB3 "))
   (( segid "    " and resid "21  " and name "HA  "))
      3.400     1.400     1.400 peak  2809 weight  0.10000E+01 volume  0.35350E+04 ppm1      2.861 ppm2      3.967
 ASSI { 2810}
   (( segid "    " and resid "59  " and name "HD3 "))
   (( segid "    " and resid "63  " and name "HA  "))
      2.700     0.900     0.900 peak  2810 weight  0.10000E+01 volume  0.15650E+05 ppm1      3.041 ppm2      3.963
 ASSI { 2812}
   (( segid "    " and resid "19  " and name "HE2 "))
   (( segid "    " and resid "71  " and name "HA  "))
      4.000     2.000     2.000 peak  2812 weight  0.10000E+01 volume  0.14590E+04 ppm1      2.974 ppm2      4.227
 OR { 2812}
   (( segid "    " and resid "19  " and name "HE3 "))
   (( segid "    " and resid "71  " and name "HA  "))
 ASSI { 2815}
   (( segid "    " and resid "63  " and name "HB2 "))
   (( segid "    " and resid "64  " and name "HA  "))
      3.200     1.300     1.300 peak  2815 weight  0.10000E+01 volume  0.57750E+04 ppm1      2.507 ppm2      4.343
 ASSI { 2818}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "17  " and name "HA  "))
      2.600     0.800     0.800 peak  2818 weight  0.10000E+01 volume  0.16860E+05 ppm1      2.343 ppm2      4.287
 ASSI { 2821}
   (( segid "    " and resid "24  " and name "HB3 "))
   (( segid "    " and resid "66  " and name "HA  "))
      3.000     1.100     1.100 peak  2821 weight  0.10000E+01 volume  0.71890E+04 ppm1      3.925 ppm2      4.587
 ASSI { 2822}
   (( segid "    " and resid "70  " and name "HD2 "))
   (( segid "    " and resid "55  " and name "HA  "))
      2.700     0.900     0.900 peak  2822 weight  0.10000E+01 volume  0.13600E+05 ppm1      3.843 ppm2      4.588
 ASSI { 2823}
   (( segid "    " and resid "70  " and name "HD3 "))
   (( segid "    " and resid "55  " and name "HA  "))
      3.400     1.400     1.400 peak  2823 weight  0.10000E+01 volume  0.37940E+04 ppm1      3.760 ppm2      4.587
 ASSI { 2824}
   (( segid "    " and resid "24  " and name "HB2 "))
   (( segid "    " and resid "66  " and name "HA  "))
      3.500     1.500     1.500 peak  2824 weight  0.10000E+01 volume  0.31470E+04 ppm1      4.065 ppm2      4.590
 ASSI { 2825}
   (( segid "    " and resid "34  " and name "HA  "))
   (( segid "    " and resid "39  " and name "HA  "))
      3.300     1.400     1.400 peak  2825 weight  0.10000E+01 volume  0.47710E+04 ppm1      4.144 ppm2      4.602
 ASSI { 2826}
   (( segid "    " and resid "41  " and name "HA  "))
   (( segid "    " and resid "40  " and name "HA  "))
      3.200     1.300     1.300 peak  2826 weight  0.10000E+01 volume  0.50910E+04 ppm1      4.136 ppm2      4.531
 ASSI { 2827}
   (( segid "    " and resid "76  " and name "HD3 "))
   (( segid "    " and resid "75  " and name "HA  "))
      2.800     1.000     1.000 peak  2827 weight  0.10000E+01 volume  0.13130E+05 ppm1      3.698 ppm2      4.456
 ASSI { 2828}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "15  " and name "HA  "))
      2.600     0.800     0.800 peak  2828 weight  0.10000E+01 volume  0.17010E+05 ppm1      0.486 ppm2      3.441
 ASSI { 2829}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "15  " and name "HA  "))
      3.800     1.800     1.800 peak  2829 weight  0.10000E+01 volume  0.20140E+04 ppm1      0.424 ppm2      3.441
 ASSI { 2830}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "53  " and name "HB2 "))
      3.800     1.800     1.800 peak  2830 weight  0.10000E+01 volume  0.18990E+04 ppm1      0.485 ppm2      3.485
 ASSI { 2831}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "46  " and name "HA  "))
      3.600     1.600     1.600 peak  2831 weight  0.10000E+01 volume  0.27300E+04 ppm1      0.711 ppm2      3.437
 OR { 2831}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "46  " and name "HA  "))
 ASSI { 2832}
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
   (( segid "    " and resid "46  " and name "HA  "))
      4.300     2.300     2.300 peak  2832 weight  0.10000E+01 volume  0.87410E+03 ppm1      0.672 ppm2      3.438
 ASSI { 2833}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "10  " and name "HA  "))
      4.200     2.200     2.200 peak  2833 weight  0.10000E+01 volume  0.10670E+04 ppm1      0.572 ppm2      3.301
 ASSI { 2834}
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
   (( segid "    " and resid "11  " and name "HA  "))
      4.000     2.000     2.000 peak  2834 weight  0.10000E+01 volume  0.13570E+04 ppm1      0.746 ppm2      3.360
 ASSI { 2835}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "46  " and name "HA  "))
      2.800     2.800     4.200 peak  2835 weight  0.10000E+01 volume  0.11570E+05 ppm1      0.848 ppm2      3.438
 ASSI { 2836}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "53  " and name "HB2 "))
      2.800     1.000     1.000 peak  2836 weight  0.10000E+01 volume  0.13300E+05 ppm1      0.962 ppm2      3.489
 ASSI { 2839}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "30  " and name "HA  "))
      2.200     0.600     0.600 peak  2839 weight  0.10000E+01 volume  0.46470E+05 ppm1      0.913 ppm2      3.212
 ASSI { 2840}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "30  " and name "HA  "))
      2.900     1.100     1.100 peak  2840 weight  0.10000E+01 volume  0.10230E+05 ppm1      0.714 ppm2      3.211
 OR { 2840}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "30  " and name "HA  "))
 ASSI { 2842}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HB2 "))
      3.700     1.700     1.700 peak  2842 weight  0.10000E+01 volume  0.24400E+04 ppm1      0.572 ppm2      3.156
 ASSI { 2843}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "23  " and name "HB2 "))
      2.600     0.800     0.800 peak  2843 weight  0.10000E+01 volume  0.17790E+05 ppm1      0.521 ppm2      3.057
 ASSI { 2844}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "23  " and name "HB2 "))
      2.600     0.800     0.800 peak  2844 weight  0.10000E+01 volume  0.20430E+05 ppm1      0.416 ppm2      3.062
 ASSI { 2845}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HB2 "))
      3.500     1.500     1.500 peak  2845 weight  0.10000E+01 volume  0.32290E+04 ppm1      0.255 ppm2      3.160
 ASSI { 2846}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "38  " and name "HB2 "))
      2.800     1.000     1.000 peak  2846 weight  0.10000E+01 volume  0.12660E+05 ppm1      0.256 ppm2      3.005
 ASSI { 2847}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HB3 "))
      3.200     1.300     1.300 peak  2847 weight  0.10000E+01 volume  0.53380E+04 ppm1      0.255 ppm2      2.859
 ASSI { 2848}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "38  " and name "HB3 "))
      3.200     1.300     1.300 peak  2848 weight  0.10000E+01 volume  0.52030E+04 ppm1      0.255 ppm2      2.587
 ASSI { 2849}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "60  " and name "HB3 "))
      3.700     1.700     1.700 peak  2849 weight  0.10000E+01 volume  0.23900E+04 ppm1      0.463 ppm2      2.809
 ASSI { 2850}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "53  " and name "HB3 "))
      3.600     1.600     1.600 peak  2850 weight  0.10000E+01 volume  0.27910E+04 ppm1      0.485 ppm2      2.888
 ASSI { 2851}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HB3 "))
      3.400     1.400     1.400 peak  2851 weight  0.10000E+01 volume  0.36470E+04 ppm1      0.573 ppm2      2.856
 ASSI { 2852}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "60  " and name "HB3 "))
      2.400     0.700     0.700 peak  2852 weight  0.10000E+01 volume  0.33940E+05 ppm1      0.645 ppm2      2.810
 ASSI { 2853}
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HB3 "))
      2.800     2.800     4.200 peak  2853 weight  0.10000E+01 volume  0.13160E+05 ppm1      0.760 ppm2      2.867
 ASSI { 2855}
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
   (( segid "    " and resid "38  " and name "HB2 "))
      3.200     1.300     1.300 peak  2855 weight  0.10000E+01 volume  0.55550E+04 ppm1      0.716 ppm2      3.008
 ASSI { 2856}
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
   (( segid "    " and resid "45  " and name "HE2 "))
      3.600     1.600     1.600 peak  2856 weight  0.10000E+01 volume  0.26450E+04 ppm1      0.745 ppm2      2.974
 ASSI { 2857}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "38  " and name "HB2 "))
      4.700     2.800     2.300 peak  2857 weight  0.10000E+01 volume  0.51050E+03 ppm1      0.923 ppm2      3.010
 ASSI { 2858}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "19  " and name "HE3 "))
      3.500     1.500     1.500 peak  2858 weight  0.10000E+01 volume  0.33010E+04 ppm1      0.963 ppm2      2.962
 OR { 2858}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "19  " and name "HE2 "))
 ASSI { 2860}
   (( segid "    " and resid "41  " and name "HG13"))
   (( segid "    " and resid "30  " and name "HA  "))
      4.800     2.900     2.200 peak  2860 weight  0.10000E+01 volume  0.44830E+03 ppm1      1.152 ppm2      3.215
 ASSI { 2861}
   (( segid "    " and resid "41  " and name "HG13"))
   (( segid "    " and resid "38  " and name "HB2 "))
      3.400     1.400     1.400 peak  2861 weight  0.10000E+01 volume  0.34950E+04 ppm1      1.158 ppm2      3.007
 ASSI { 2862}
   (( segid "    " and resid "10  " and name "HG  "))
   (( segid "    " and resid "14  " and name "HB3 "))
      3.600     1.600     1.600 peak  2862 weight  0.10000E+01 volume  0.28370E+04 ppm1      1.084 ppm2      2.855
 ASSI { 2863}
   (( segid "    " and resid "53  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HB3 "))
      2.700     2.700     4.300 peak  2863 weight  0.10000E+01 volume  0.16670E+05 ppm1      1.011 ppm2      2.865
 ASSI { 2864}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "53  " and name "HB3 "))
      2.900     1.100     1.100 peak  2864 weight  0.10000E+01 volume  0.89830E+04 ppm1      0.959 ppm2      2.883
 ASSI { 2865}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "34  " and name "HG2 "))
      3.200     3.200     3.800 peak  2865 weight  0.10000E+01 volume  0.51370E+04 ppm1      0.856 ppm2      2.614
 ASSI { 2866}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "26  " and name "HG3 "))
      3.000     1.100     1.100 peak  2866 weight  0.10000E+01 volume  0.84670E+04 ppm1      0.456 ppm2      2.594
 OR { 2866}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "26  " and name "HG2 "))
 ASSI { 2867}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "38  " and name "HB3 "))
      4.900     3.000     2.100 peak  2867 weight  0.10000E+01 volume  0.40500E+03 ppm1      0.574 ppm2      2.590
 ASSI { 2868}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "26  " and name "HG3 "))
      3.700     1.700     1.700 peak  2868 weight  0.10000E+01 volume  0.21780E+04 ppm1      0.522 ppm2      2.594
 OR { 2868}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "26  " and name "HG2 "))
 ASSI { 2869}
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
   (( segid "    " and resid "38  " and name "HB3 "))
      3.500     1.500     1.500 peak  2869 weight  0.10000E+01 volume  0.34220E+04 ppm1      0.719 ppm2      2.591
 ASSI { 2870}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "34  " and name "HG2 "))
      3.000     1.100     1.100 peak  2870 weight  0.10000E+01 volume  0.84690E+04 ppm1      0.800 ppm2      2.624
 ASSI { 2871}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "34  " and name "HG3 "))
      4.000     2.000     2.000 peak  2871 weight  0.10000E+01 volume  0.14740E+04 ppm1      0.799 ppm2      2.492
 ASSI { 2872}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "34  " and name "HG3 "))
      3.200     1.300     1.300 peak  2872 weight  0.10000E+01 volume  0.49760E+04 ppm1      0.925 ppm2      2.492
 ASSI { 2873}
   (( segid "    " and resid "41  " and name "HG13"))
   (( segid "    " and resid "38  " and name "HB3 "))
      3.600     1.600     1.600 peak  2873 weight  0.10000E+01 volume  0.25820E+04 ppm1      1.159 ppm2      2.593
 ASSI { 2876}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "67  " and name "HB2 "))
      2.100     2.100     4.900 peak  2876 weight  0.10000E+01 volume  0.66960E+05 ppm1      0.423 ppm2      2.679
 ASSI { 2877}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "67  " and name "HB2 "))
      2.700     2.700     4.300 peak  2877 weight  0.10000E+01 volume  0.14120E+05 ppm1      0.521 ppm2      2.682
 ASSI { 2878}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "11  " and name "HA  "))
      3.400     1.400     1.400 peak  2878 weight  0.10000E+01 volume  0.37240E+04 ppm1      0.256 ppm2      3.361
 ASSI { 2880}
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HB3 "))
      2.800     1.000     1.000 peak  2880 weight  0.10000E+01 volume  0.12090E+05 ppm1      0.654 ppm2      2.859
 ASSI { 2885}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "11  " and name "HA  "))
      3.500     1.500     1.500 peak  2885 weight  0.10000E+01 volume  0.30650E+04 ppm1      1.528 ppm2      3.360
 OR { 2885}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "11  " and name "HA  "))
 ASSI { 2891}
   (( segid "    " and resid "62  " and name "HB2 "))
   (( segid "    " and resid "59  " and name "HD3 "))
      3.400     3.400     3.600 peak  2891 weight  0.10000E+01 volume  0.35780E+04 ppm1      2.061 ppm2      3.046
 OR { 2891}
   (( segid "    " and resid "62  " and name "HB2 "))
   (( segid "    " and resid "59  " and name "HD2 "))
 ASSI { 2892}
   (( segid "    " and resid "33  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HB2 "))
      3.500     1.500     1.500 peak  2892 weight  0.10000E+01 volume  0.28910E+04 ppm1      1.271 ppm2      3.003
 ASSI { 2894}
   (( segid "    " and resid "15  " and name "HB2 "))
   (( segid "    " and resid "11  " and name "HA  "))
      5.000     3.100     2.000 peak  2894 weight  0.10000E+01 volume  0.38940E+03 ppm1      1.838 ppm2      3.361
 ASSI { 2895}
   (( segid "    " and resid "66  " and name "HB  "))
   (( segid "    " and resid "23  " and name "HB2 "))
      3.200     1.300     1.300 peak  2895 weight  0.10000E+01 volume  0.53130E+04 ppm1      1.848 ppm2      3.048
 ASSI { 2896}
   (( segid "    " and resid "18  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HB2 "))
      2.500     2.500     4.500 peak  2896 weight  0.10000E+01 volume  0.23910E+05 ppm1      1.900 ppm2      3.065
 ASSI { 2897}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "49  " and name "HG2 "))
      2.900     1.100     1.100 peak  2897 weight  0.10000E+01 volume  0.89470E+04 ppm1      1.413 ppm2      2.569
 ASSI { 2898}
   (( segid "    " and resid "33  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HB3 "))
      2.800     1.000     1.000 peak  2898 weight  0.10000E+01 volume  0.12530E+05 ppm1      1.268 ppm2      2.588
 ASSI { 2899}
   (( segid "    " and resid "31  " and name "HB2 ")
     OR 
    ( segid "    " and resid "31  " and name "HB3 ")
     OR 
    ( segid "    " and resid "31  " and name "HB1 "))
   (( segid "    " and resid "35  " and name "HG2 "))
      3.100     1.200     1.200 peak  2899 weight  0.10000E+01 volume  0.71550E+04 ppm1      1.497 ppm2      2.497
 ASSI { 2900}
   (( segid "    " and resid "12  " and name "HD2 "))
   (( segid "    " and resid "9   " and name "HG2 "))
      3.400     1.400     1.400 peak  2900 weight  0.10000E+01 volume  0.35930E+04 ppm1      1.733 ppm2      2.510
 OR { 2900}
   (( segid "    " and resid "12  " and name "HD2 "))
   (( segid "    " and resid "9   " and name "HG3 "))
 ASSI { 2902}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "26  " and name "HG2 "))
      2.700     0.900     0.900 peak  2902 weight  0.10000E+01 volume  0.14260E+05 ppm1      1.937 ppm2      2.585
 OR { 2902}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "26  " and name "HG3 "))
 ASSI { 2904}
   (( segid "    " and resid "63  " and name "HB3 "))
   (( segid "    " and resid "59  " and name "HD3 "))
      3.000     1.100     1.100 peak  2904 weight  0.10000E+01 volume  0.73070E+04 ppm1      2.224 ppm2      3.049
 OR { 2904}
   (( segid "    " and resid "63  " and name "HB3 "))
   (( segid "    " and resid "59  " and name "HD2 "))
 ASSI { 2907}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "53  " and name "HB3 "))
      3.600     1.600     1.600 peak  2907 weight  0.10000E+01 volume  0.28400E+04 ppm1      1.453 ppm2      2.890
 ASSI { 2908}
   (( segid "    " and resid "71  " and name "HB2 ")
     OR 
    ( segid "    " and resid "71  " and name "HB3 ")
     OR 
    ( segid "    " and resid "71  " and name "HB1 "))
   (( segid "    " and resid "70  " and name "HB2 "))
      3.000     1.100     1.100 peak  2908 weight  0.10000E+01 volume  0.81880E+04 ppm1      1.365 ppm2      2.360
 ASSI { 2912}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "15  " and name "HE3 "))
      3.300     1.400     1.400 peak  2912 weight  0.10000E+01 volume  0.46520E+04 ppm1      0.960 ppm2      2.421
 ASSI { 2913}
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
   (( segid "    " and resid "15  " and name "HE3 "))
      2.500     0.800     0.800 peak  2913 weight  0.10000E+01 volume  0.25380E+05 ppm1      0.858 ppm2      2.420
 ASSI { 2914}
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
   (( segid "    " and resid "70  " and name "HB2 "))
      3.500     1.500     1.500 peak  2914 weight  0.10000E+01 volume  0.33970E+04 ppm1      0.971 ppm2      2.354
 ASSI { 2915}
   (( segid "    " and resid "22  " and name "HB3 "))
   (( segid "    " and resid "21  " and name "HG2 "))
      3.400     3.400     3.600 peak  2915 weight  0.10000E+01 volume  0.35700E+04 ppm1      1.097 ppm2      2.439
 ASSI { 2916}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "21  " and name "HG3 "))
      3.000     1.100     1.100 peak  2916 weight  0.10000E+01 volume  0.75590E+04 ppm1      0.646 ppm2      2.330
 ASSI { 2917}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "21  " and name "HB2 "))
      3.200     1.300     1.300 peak  2917 weight  0.10000E+01 volume  0.59030E+04 ppm1      0.645 ppm2      2.221
 ASSI { 2918}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "70  " and name "HB2 "))
      3.300     1.400     1.400 peak  2918 weight  0.10000E+01 volume  0.48640E+04 ppm1      0.762 ppm2      2.354
 ASSI { 2919}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "36  " and name "HB3 "))
      4.000     2.000     2.000 peak  2919 weight  0.10000E+01 volume  0.13200E+04 ppm1      0.574 ppm2      2.237
 ASSI { 2920}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "21  " and name "HG2 "))
      4.900     3.000     2.100 peak  2920 weight  0.10000E+01 volume  0.42700E+03 ppm1      0.644 ppm2      2.427
 ASSI { 2921}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "41  " and name "HB  "))
      3.600     1.600     1.600 peak  2921 weight  0.10000E+01 volume  0.28800E+04 ppm1      0.257 ppm2      1.971
 ASSI { 2922}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "33  " and name "HB2 "))
      3.900     1.900     1.900 peak  2922 weight  0.10000E+01 volume  0.17170E+04 ppm1      0.255 ppm2      2.034
 ASSI { 2924}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "64  " and name "HB3 "))
      2.400     0.700     0.700 peak  2924 weight  0.10000E+01 volume  0.31390E+05 ppm1      0.469 ppm2      1.757
 ASSI { 2925}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "26  " and name "HB2 "))
      2.300     0.700     0.700 peak  2925 weight  0.10000E+01 volume  0.41470E+05 ppm1      0.461 ppm2      2.092
 ASSI { 2927}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "19  " and name "HG2 "))
      3.000     1.100     1.100 peak  2927 weight  0.10000E+01 volume  0.83030E+04 ppm1      0.487 ppm2      1.616
 ASSI { 2928}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
      2.400     0.700     0.700 peak  2928 weight  0.10000E+01 volume  0.29820E+05 ppm1      0.574 ppm2      1.512
 ASSI { 2929}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
      3.100     1.200     1.200 peak  2929 weight  0.10000E+01 volume  0.71250E+04 ppm1      0.257 ppm2      1.510
 ASSI { 2931}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
      3.000     1.100     1.100 peak  2931 weight  0.10000E+01 volume  0.74410E+04 ppm1      0.252 ppm2      0.925
 ASSI { 2932}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
      2.200     0.600     0.600 peak  2932 weight  0.10000E+01 volume  0.47160E+05 ppm1      0.257 ppm2      0.673
 ASSI { 2933}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
      2.200     0.600     0.600 peak  2933 weight  0.10000E+01 volume  0.52950E+05 ppm1      0.256 ppm2      0.579
 ASSI { 2939}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
      2.500     0.800     0.800 peak  2939 weight  0.10000E+01 volume  0.21180E+05 ppm1      1.391 ppm2      0.520
 ASSI { 2940}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
      2.400     0.700     0.700 peak  2940 weight  0.10000E+01 volume  0.28360E+05 ppm1      1.458 ppm2      0.489
 ASSI { 2941}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
      2.000     0.500     0.500 peak  2941 weight  0.10000E+01 volume  0.86930E+05 ppm1      1.457 ppm2      0.442
 ASSI { 2943}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
      2.500     0.800     0.800 peak  2943 weight  0.10000E+01 volume  0.22370E+05 ppm1      1.391 ppm2      0.778
 ASSI { 2944}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
      2.500     0.800     0.800 peak  2944 weight  0.10000E+01 volume  0.23540E+05 ppm1      1.410 ppm2      0.745
 ASSI { 2945}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
      2.300     0.700     0.700 peak  2945 weight  0.10000E+01 volume  0.36500E+05 ppm1      1.536 ppm2      0.872
 OR { 2945}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
 ASSI { 2947}
   (( segid "    " and resid "50  " and name "HG  "))
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
      2.200     2.200     4.800 peak  2947 weight  0.10000E+01 volume  0.49480E+05 ppm1      1.885 ppm2      0.521
 ASSI { 2949}
   (( segid "    " and resid "21  " and name "HB3 "))
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
      2.700     0.900     0.900 peak  2949 weight  0.10000E+01 volume  0.14450E+05 ppm1      1.965 ppm2      0.649
 ASSI { 2953}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
      3.100     1.200     1.200 peak  2953 weight  0.10000E+01 volume  0.68180E+04 ppm1      1.948 ppm2      0.846
 ASSI { 2954}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
      2.400     0.700     0.700 peak  2954 weight  0.10000E+01 volume  0.32750E+05 ppm1      1.945 ppm2      0.950
 ASSI { 2955}
   (( segid "    " and resid "50  " and name "HG  "))
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
      2.400     2.400     4.600 peak  2955 weight  0.10000E+01 volume  0.28550E+05 ppm1      1.874 ppm2      0.951
 ASSI { 2962}
   (( segid "    " and resid "46  " and name "HB  "))
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
      2.200     0.600     0.600 peak  2962 weight  0.10000E+01 volume  0.47820E+05 ppm1      2.064 ppm2      0.849
 ASSI { 2968}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "69  " and name "HB3 "))
      3.000     1.100     1.100 peak  2968 weight  0.10000E+01 volume  0.86170E+04 ppm1      0.487 ppm2      1.550
 ASSI { 2973}
   (( segid "    " and resid "30  " and name "HA  "))
   (( segid "    " and resid "31  " and name "HA  "))
      4.300     2.300     2.300 peak  2973 weight  0.10000E+01 volume  0.92320E+03 ppm1      3.201 ppm2      4.149
 ASSI { 2975}
   (( segid "    " and resid "10  " and name "HB3 "))
   (( segid "    " and resid "7   " and name "HA  "))
      3.400     1.400     1.400 peak  2975 weight  0.10000E+01 volume  0.34350E+04 ppm1      1.337 ppm2      4.123
 ASSI { 2976}
   (( segid "    " and resid "10  " and name "HB2 "))
   (( segid "    " and resid "7   " and name "HA  "))
      2.700     2.700     4.300 peak  2976 weight  0.10000E+01 volume  0.15850E+05 ppm1      1.835 ppm2      4.129
 ASSI { 2977}
   (( segid "    " and resid "12  " and name "HB3 "))
   (( segid "    " and resid "9   " and name "HA  "))
      3.200     1.300     1.300 peak  2977 weight  0.10000E+01 volume  0.51700E+04 ppm1      1.922 ppm2      4.198
 ASSI { 2978}
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
   (( segid "    " and resid "10  " and name "HA  "))
      2.500     0.800     0.800 peak  2978 weight  0.10000E+01 volume  0.25630E+05 ppm1      1.508 ppm2      3.299
 ASSI { 2979}
   (( segid "    " and resid "14  " and name "HB3 "))
   (( segid "    " and resid "11  " and name "HA  "))
      2.400     0.700     0.700 peak  2979 weight  0.10000E+01 volume  0.28870E+05 ppm1      2.858 ppm2      3.360
 ASSI { 2980}
   (( segid "    " and resid "14  " and name "HB2 "))
   (( segid "    " and resid "11  " and name "HA  "))
      2.200     0.600     0.600 peak  2980 weight  0.10000E+01 volume  0.46490E+05 ppm1      3.157 ppm2      3.357
 ASSI { 2981}
   (( segid "    " and resid "15  " and name "HB2 "))
   (( segid "    " and resid "12  " and name "HA  "))
      2.500     0.800     0.800 peak  2981 weight  0.10000E+01 volume  0.21260E+05 ppm1      1.829 ppm2      3.902
 ASSI { 2983}
   (( segid "    " and resid "16  " and name "HB2 ")
     OR 
    ( segid "    " and resid "16  " and name "HB3 ")
     OR 
    ( segid "    " and resid "16  " and name "HB1 "))
   (( segid "    " and resid "13  " and name "HA  "))
      2.500     0.800     0.800 peak  2983 weight  0.10000E+01 volume  0.21120E+05 ppm1      1.532 ppm2      4.200
 ASSI { 2984}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HA  "))
      2.900     1.100     1.100 peak  2984 weight  0.10000E+01 volume  0.89870E+04 ppm1      1.828 ppm2      3.861
 ASSI { 2986}
   (( segid "    " and resid "17  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HA  "))
      5.200     3.400     1.800 peak  2986 weight  0.10000E+01 volume  0.28060E+03 ppm1      1.211 ppm2      3.860
 ASSI { 2989}
   (( segid "    " and resid "18  " and name "HB2 "))
   (( segid "    " and resid "15  " and name "HA  "))
      2.800     1.000     1.000 peak  2989 weight  0.10000E+01 volume  0.12250E+05 ppm1      1.885 ppm2      3.440
 ASSI { 2991}
   (( segid "    " and resid "19  " and name "HB3 "))
   (( segid "    " and resid "16  " and name "HA  "))
      2.400     0.700     0.700 peak  2991 weight  0.10000E+01 volume  0.28710E+05 ppm1      1.938 ppm2      4.077
 ASSI { 2992}
   (( segid "    " and resid "19  " and name "HB2 "))
   (( segid "    " and resid "16  " and name "HA  "))
      2.500     2.500     4.500 peak  2992 weight  0.10000E+01 volume  0.24830E+05 ppm1      2.021 ppm2      4.074
 ASSI { 2994}
   (( segid "    " and resid "19  " and name "HG2 "))
   (( segid "    " and resid "16  " and name "HA  "))
      3.100     1.200     1.200 peak  2994 weight  0.10000E+01 volume  0.64550E+04 ppm1      1.629 ppm2      4.074
 ASSI { 2997}
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "25  " and name "HA  "))
      4.600     2.600     2.400 peak  2997 weight  0.10000E+01 volume  0.58640E+03 ppm1      2.489 ppm2      5.283
 ASSI { 2998}
   (( segid "    " and resid "26  " and name "HG3 "))
   (( segid "    " and resid "25  " and name "HA  "))
      3.700     1.700     1.700 peak  2998 weight  0.10000E+01 volume  0.21280E+04 ppm1      2.591 ppm2      5.286
 OR { 2998}
   (( segid "    " and resid "26  " and name "HG2 "))
   (( segid "    " and resid "25  " and name "HA  "))
 ASSI { 2999}
   (( segid "    " and resid "30  " and name "HB  "))
   (( segid "    " and resid "27  " and name "HA2 "))
      2.300     0.700     0.700 peak  2999 weight  0.10000E+01 volume  0.35050E+05 ppm1      2.232 ppm2      3.718
 ASSI { 3004}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "29  " and name "HA  "))
      2.400     0.700     0.700 peak  3004 weight  0.10000E+01 volume  0.30140E+05 ppm1      1.397 ppm2      3.154
 ASSI { 3005}
   (( segid "    " and resid "33  " and name "HB3 "))
   (( segid "    " and resid "30  " and name "HA  "))
      4.300     2.300     2.300 peak  3005 weight  0.10000E+01 volume  0.87590E+03 ppm1      1.269 ppm2      3.210
 ASSI { 3006}
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
   (( segid "    " and resid "30  " and name "HA  "))
      2.800     1.000     1.000 peak  3006 weight  0.10000E+01 volume  0.11420E+05 ppm1      0.669 ppm2      3.211
 ASSI { 3008}
   (( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "30  " and name "HA  "))
      3.000     1.100     1.100 peak  3008 weight  0.10000E+01 volume  0.78330E+04 ppm1      2.025 ppm2      3.213
 ASSI { 3009}
   (( segid "    " and resid "34  " and name "HB2 "))
   (( segid "    " and resid "31  " and name "HA  "))
      2.600     0.800     0.800 peak  3009 weight  0.10000E+01 volume  0.20280E+05 ppm1      2.330 ppm2      4.161
 ASSI { 3011}
   (( segid "    " and resid "34  " and name "HB3 "))
   (( segid "    " and resid "31  " and name "HA  "))
      2.500     2.500     4.500 peak  3011 weight  0.10000E+01 volume  0.21960E+05 ppm1      2.040 ppm2      4.161
 ASSI { 3014}
   (( segid "    " and resid "35  " and name "HB2 "))
   (( segid "    " and resid "32  " and name "HA  "))
      2.800     1.000     1.000 peak  3014 weight  0.10000E+01 volume  0.11210E+05 ppm1      2.283 ppm2      4.235
 ASSI { 3016}
   (( segid "    " and resid "36  " and name "HG3 "))
   (( segid "    " and resid "33  " and name "HA  "))
      3.500     1.500     1.500 peak  3016 weight  0.10000E+01 volume  0.30780E+04 ppm1      2.804 ppm2      4.223
 OR { 3016}
   (( segid "    " and resid "36  " and name "HG2 "))
   (( segid "    " and resid "33  " and name "HA  "))
 ASSI { 3019}
   (( segid "    " and resid "46  " and name "HB  "))
   (( segid "    " and resid "43  " and name "HA  "))
      2.300     0.700     0.700 peak  3019 weight  0.10000E+01 volume  0.38950E+05 ppm1      2.057 ppm2      3.607
 ASSI { 3020}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "43  " and name "HA  "))
      2.900     1.100     1.100 peak  3020 weight  0.10000E+01 volume  0.92710E+04 ppm1      0.950 ppm2      3.608
 ASSI { 3021}
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
   (( segid "    " and resid "43  " and name "HA  "))
      2.600     2.600     4.400 peak  3021 weight  0.10000E+01 volume  0.16960E+05 ppm1      0.901 ppm2      3.608
 ASSI { 3023}
   (( segid "    " and resid "48  " and name "HB2 "))
   (( segid "    " and resid "45  " and name "HA  "))
      2.500     0.800     0.800 peak  3023 weight  0.10000E+01 volume  0.26390E+05 ppm1      1.932 ppm2      3.999
 ASSI { 3024}
   (( segid "    " and resid "48  " and name "HB3 "))
   (( segid "    " and resid "45  " and name "HA  "))
      2.500     2.500     4.500 peak  3024 weight  0.10000E+01 volume  0.22690E+05 ppm1      1.856 ppm2      3.999
 ASSI { 3025}
   (( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "46  " and name "HA  "))
      2.500     0.800     0.800 peak  3025 weight  0.10000E+01 volume  0.22930E+05 ppm1      1.480 ppm2      3.435
 ASSI { 3026}
   (( segid "    " and resid "49  " and name "HB3 "))
   (( segid "    " and resid "46  " and name "HA  "))
      2.900     2.900     4.100 peak  3026 weight  0.10000E+01 volume  0.90490E+04 ppm1      1.057 ppm2      3.436
 ASSI { 3030}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "46  " and name "HA  "))
      2.800     2.800     4.200 peak  3030 weight  0.10000E+01 volume  0.11330E+05 ppm1      1.409 ppm2      3.438
 ASSI { 3035}
   (( segid "    " and resid "53  " and name "HB3 "))
   (( segid "    " and resid "50  " and name "HA  "))
      3.300     1.400     1.400 peak  3035 weight  0.10000E+01 volume  0.41560E+04 ppm1      2.878 ppm2      4.024
 ASSI { 3036}
   (( segid "    " and resid "53  " and name "HB2 "))
   (( segid "    " and resid "50  " and name "HA  "))
      3.500     1.500     1.500 peak  3036 weight  0.10000E+01 volume  0.31610E+04 ppm1      3.480 ppm2      4.024
 ASSI { 3037}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "50  " and name "HA  "))
      2.300     0.700     0.700 peak  3037 weight  0.10000E+01 volume  0.38170E+05 ppm1      1.455 ppm2      4.025
 ASSI { 3038}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "47  " and name "HB2 "))
      3.100     1.200     1.200 peak  3038 weight  0.10000E+01 volume  0.71270E+04 ppm1      1.417 ppm2      4.077
 OR { 3038}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "47  " and name "HB3 "))
 ASSI { 3040}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "56  " and name "HA  "))
      4.200     2.200     2.200 peak  3040 weight  0.10000E+01 volume  0.11040E+04 ppm1      1.345 ppm2      4.683
 ASSI { 3041}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "56  " and name "HA  "))
      3.500     1.500     1.500 peak  3041 weight  0.10000E+01 volume  0.31640E+04 ppm1      1.460 ppm2      4.683
 ASSI { 3044}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "64  " and name "HA  "))
      3.700     1.700     1.700 peak  3044 weight  0.10000E+01 volume  0.24170E+04 ppm1      4.718 ppm2      4.337
 ASSI { 3045}
   (( segid "    " and resid "42  " and name "HA  "))
   (( segid "    " and resid "41  " and name "HA  "))
      4.100     2.100     2.100 peak  3045 weight  0.10000E+01 volume  0.12810E+04 ppm1      4.716 ppm2      4.140
 ASSI { 3046}
   (( segid "    " and resid "60  " and name "HA  "))
   (( segid "    " and resid "61  " and name "HA  "))
      3.900     1.900     1.900 peak  3046 weight  0.10000E+01 volume  0.17580E+04 ppm1      4.843 ppm2      4.165
 ASSI { 3047}
   (( segid "    " and resid "60  " and name "HA  "))
   (( segid "    " and resid "62  " and name "HA  "))
      3.800     3.800     3.200 peak  3047 weight  0.10000E+01 volume  0.20160E+04 ppm1      4.848 ppm2      4.321
 ASSI { 3051}
   (( segid "    " and resid "69  " and name "HA  "))
   (( segid "    " and resid "70  " and name "HD3 "))
      2.200     0.600     0.600 peak  3051 weight  0.10000E+01 volume  0.50650E+05 ppm1      4.776 ppm2      3.765
 ASSI { 3052}
   (( segid "    " and resid "69  " and name "HA  "))
   (( segid "    " and resid "70  " and name "HD2 "))
      2.200     0.600     0.600 peak  3052 weight  0.10000E+01 volume  0.55500E+05 ppm1      4.776 ppm2      3.849
 ASSI { 3055}
   (( segid "    " and resid "60  " and name "HB2 "))
   (( segid "    " and resid "61  " and name "HA  "))
      2.800     2.800     4.200 peak  3055 weight  0.10000E+01 volume  0.12050E+05 ppm1      3.713 ppm2      4.163
 ASSI { 3058}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "25  " and name "HB2 "))
      3.600     1.600     1.600 peak  3058 weight  0.10000E+01 volume  0.26000E+04 ppm1      3.798 ppm2      4.329
 ASSI { 3069}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "56  " and name "HA  "))
      3.900     1.900     1.900 peak  3069 weight  0.10000E+01 volume  0.15890E+04 ppm1      1.060 ppm2      4.684
 ASSI { 3070}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "39  " and name "HA  "))
      3.700     1.700     1.700 peak  3070 weight  0.10000E+01 volume  0.23820E+04 ppm1      0.925 ppm2      4.602
 ASSI { 3071}
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
   (( segid "    " and resid "8   " and name "HA  "))
      3.400     3.400     3.600 peak  3071 weight  0.10000E+01 volume  0.35040E+04 ppm1      0.855 ppm2      4.149
 ASSI { 3073}
   (( segid "    " and resid "15  " and name "HA  "))
   (( segid "    " and resid "16  " and name "HA  "))
      3.500     1.500     1.500 peak  3073 weight  0.10000E+01 volume  0.30490E+04 ppm1      3.436 ppm2      4.075
 ASSI { 3074}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "26  " and name "HA  "))
      3.800     1.800     1.800 peak  3074 weight  0.10000E+01 volume  0.19760E+04 ppm1      3.436 ppm2      3.803
 ASSI { 3075}
   (( segid "    " and resid "48  " and name "HD3 "))
   (( segid "    " and resid "45  " and name "HA  "))
      4.700     2.800     2.300 peak  3075 weight  0.10000E+01 volume  0.52950E+03 ppm1      3.150 ppm2      4.001
 ASSI { 3076}
   (( segid "    " and resid "48  " and name "HD2 "))
   (( segid "    " and resid "45  " and name "HA  "))
      4.800     2.900     2.200 peak  3076 weight  0.10000E+01 volume  0.50020E+03 ppm1      3.194 ppm2      4.008
 ASSI { 3078}
   (( segid "    " and resid "11  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HA  "))
      4.200     2.200     2.200 peak  3078 weight  0.10000E+01 volume  0.10920E+04 ppm1      3.355 ppm2      3.857
 ASSI { 3079}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "45  " and name "HA  "))
      3.700     1.700     1.700 peak  3079 weight  0.10000E+01 volume  0.22110E+04 ppm1      3.436 ppm2      4.004
 ASSI { 3082}
   (( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HA  "))
      2.700     2.700     4.300 peak  3082 weight  0.10000E+01 volume  0.16090E+05 ppm1      2.174 ppm2      4.160
 ASSI { 3086}
   (( segid "    " and resid "63  " and name "HG3 "))
   (( segid "    " and resid "59  " and name "HD3 "))
      3.800     1.800     1.800 peak  3086 weight  0.10000E+01 volume  0.18150E+04 ppm1      2.335 ppm2      3.046
 OR { 3086}
   (( segid "    " and resid "63  " and name "HG3 "))
   (( segid "    " and resid "59  " and name "HD2 "))
 ASSI { 3087}
   (( segid "    " and resid "62  " and name "HB2 "))
   (( segid "    " and resid "63  " and name "HG2 "))
      3.000     1.100     1.100 peak  3087 weight  0.10000E+01 volume  0.73400E+04 ppm1      2.064 ppm2      2.684
 ASSI { 3096}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "45  " and name "HG3 "))
      2.700     2.700     4.300 peak  3096 weight  0.10000E+01 volume  0.13370E+05 ppm1      0.256 ppm2      1.412
 ASSI { 3097}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "19  " and name "HG2 "))
      4.000     2.000     2.000 peak  3097 weight  0.10000E+01 volume  0.14600E+04 ppm1      0.422 ppm2      1.614
 ASSI { 3101}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
      2.300     0.700     0.700 peak  3101 weight  0.10000E+01 volume  0.41790E+05 ppm1      0.958 ppm2      0.492
 ASSI { 3102}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
      2.300     0.700     0.700 peak  3102 weight  0.10000E+01 volume  0.36880E+05 ppm1      0.947 ppm2      0.468
 ASSI { 3103}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
      2.700     0.900     0.900 peak  3103 weight  0.10000E+01 volume  0.15460E+05 ppm1      0.947 ppm2      0.530
 ASSI { 3105}
   (( segid "    " and resid "45  " and name "HD3 "))
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
      3.100     1.200     1.200 peak  3105 weight  0.10000E+01 volume  0.60380E+04 ppm1      1.698 ppm2      0.733
 OR { 3105}
   (( segid "    " and resid "45  " and name "HD2 "))
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
 ASSI { 3106}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
      3.300     3.300     3.700 peak  3106 weight  0.10000E+01 volume  0.48500E+04 ppm1      1.968 ppm2      0.800
 ASSI { 3107}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "58  " and name "HA  "))
      3.600     1.600     1.600 peak  3107 weight  0.10000E+01 volume  0.25240E+04 ppm1      4.893 ppm2      4.495
 ASSI { 3108}
   (( segid "    " and resid "75  " and name "HB  "))
   (( segid "    " and resid "76  " and name "HD3 "))
      3.200     1.300     1.300 peak  3108 weight  0.10000E+01 volume  0.58490E+04 ppm1      2.094 ppm2      3.713
 ASSI { 3114}
   (( segid "    " and resid "57  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      4.400     2.400     2.400 peak  3114 weight  0.10000E+01 volume  0.75770E+03 ppm1      5.088 ppm2      6.591
 ASSI { 3115}
   (( segid "    " and resid "24  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.800     1.800     1.800 peak  3115 weight  0.10000E+01 volume  0.18400E+04 ppm1      4.792 ppm2      6.592
 ASSI { 3116}
   (( segid "    " and resid "56  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.900     1.900     1.900 peak  3116 weight  0.10000E+01 volume  0.16040E+04 ppm1      4.677 ppm2      6.590
 ASSI { 3119}
   (( segid "    " and resid "24  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      4.600     2.600     2.400 peak  3119 weight  0.10000E+01 volume  0.65050E+03 ppm1      4.072 ppm2      6.592
 ASSI { 3122}
   (( segid "    " and resid "50  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      4.500     2.500     2.500 peak  3122 weight  0.10000E+01 volume  0.73370E+03 ppm1      4.010 ppm2      6.792
 ASSI { 3123}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      3.100     1.200     1.200 peak  3123 weight  0.10000E+01 volume  0.60960E+04 ppm1      3.432 ppm2      6.793
 ASSI { 3125}
   (( segid "    " and resid "66  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.500     1.500     1.500 peak  3125 weight  0.10000E+01 volume  0.33520E+04 ppm1      4.580 ppm2      6.843
 ASSI { 3126}
   (( segid "    " and resid "56  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.700     1.700     1.700 peak  3126 weight  0.10000E+01 volume  0.22470E+04 ppm1      4.677 ppm2      6.844
 ASSI { 3127}
   (( segid "    " and resid "24  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.100     1.200     1.200 peak  3127 weight  0.10000E+01 volume  0.63450E+04 ppm1      4.789 ppm2      6.844
 ASSI { 3128}
   (( segid "    " and resid "57  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.300     1.400     1.400 peak  3128 weight  0.10000E+01 volume  0.45390E+04 ppm1      5.088 ppm2      6.845
 ASSI { 3129}
   (( segid "    " and resid "25  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.700     1.700     1.700 peak  3129 weight  0.10000E+01 volume  0.22370E+04 ppm1      5.281 ppm2      6.844
 ASSI { 3133}
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HZ  "))
      4.200     2.200     2.200 peak  3133 weight  0.10000E+01 volume  0.10680E+04 ppm1      3.798 ppm2      6.961
 ASSI { 3134}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      4.200     2.200     2.200 peak  3134 weight  0.10000E+01 volume  0.11170E+04 ppm1      3.795 ppm2      7.014
 ASSI { 3137}
   (( segid "    " and resid "15  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HZ  "))
      3.500     3.500     3.500 peak  3137 weight  0.10000E+01 volume  0.29900E+04 ppm1      3.432 ppm2      6.960
 ASSI { 3138}
   (( segid "    " and resid "15  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      3.000     3.000     4.000 peak  3138 weight  0.10000E+01 volume  0.72900E+04 ppm1      3.432 ppm2      7.014
 ASSI { 3144}
   (( segid "    " and resid "53  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      4.700     2.800     2.300 peak  3144 weight  0.10000E+01 volume  0.53760E+03 ppm1      3.478 ppm2      6.793
 ASSI { 3146}
   (( segid "    " and resid "26  " and name "HG3 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.000     1.100     1.100 peak  3146 weight  0.10000E+01 volume  0.75110E+04 ppm1      2.587 ppm2      6.590
 OR { 3146}
   (( segid "    " and resid "26  " and name "HG2 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
 ASSI { 3147}
   (( segid "    " and resid "26  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.200     1.300     1.300 peak  3147 weight  0.10000E+01 volume  0.51920E+04 ppm1      2.084 ppm2      6.590
 ASSI { 3149}
   (( segid "    " and resid "50  " and name "HG  "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      4.100     2.100     2.100 peak  3149 weight  0.10000E+01 volume  0.11530E+04 ppm1      1.892 ppm2      6.591
 ASSI { 3150}
   (( segid "    " and resid "49  " and name "HG3 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      4.300     2.300     2.300 peak  3150 weight  0.10000E+01 volume  0.88290E+03 ppm1      2.037 ppm2      6.794
 ASSI { 3151}
   (( segid "    " and resid "15  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      4.000     2.000     2.000 peak  3151 weight  0.10000E+01 volume  0.13180E+04 ppm1      1.832 ppm2      6.794
 ASSI { 3152}
   (( segid "    " and resid "33  " and name "HG  "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      4.100     2.100     2.100 peak  3152 weight  0.10000E+01 volume  0.12030E+04 ppm1      1.741 ppm2      6.792
 ASSI { 3154}
   (( segid "    " and resid "50  " and name "HG  "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.700     1.700     1.700 peak  3154 weight  0.10000E+01 volume  0.23680E+04 ppm1      1.888 ppm2      6.844
 ASSI { 3157}
   (( segid "    " and resid "46  " and name "HB  "))
   (( segid "    " and resid "14  " and name "HZ  "))
      4.100     2.100     2.100 peak  3157 weight  0.10000E+01 volume  0.12030E+04 ppm1      2.058 ppm2      6.964
 ASSI { 3158}
   (( segid "    " and resid "50  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HZ  "))
      3.800     1.800     1.800 peak  3158 weight  0.10000E+01 volume  0.19640E+04 ppm1      2.162 ppm2      6.963
 ASSI { 3160}
   (( segid "    " and resid "46  " and name "HB  "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      3.800     1.800     1.800 peak  3160 weight  0.10000E+01 volume  0.19890E+04 ppm1      2.056 ppm2      7.012
 ASSI { 3161}
   (( segid "    " and resid "50  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      4.900     3.000     2.100 peak  3161 weight  0.10000E+01 volume  0.39700E+03 ppm1      2.160 ppm2      7.011
 ASSI { 3162}
   (( segid "    " and resid "57  " and name "HD2 "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.200     1.300     1.300 peak  3162 weight  0.10000E+01 volume  0.49180E+04 ppm1      2.776 ppm2      6.845
 ASSI { 3163}
   (( segid "    " and resid "9   " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HZ  "))
      2.400     0.700     0.700 peak  3163 weight  0.10000E+01 volume  0.27630E+05 ppm1      2.393 ppm2      7.070
 ASSI { 3164}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HZ  "))
      3.200     1.300     1.300 peak  3164 weight  0.10000E+01 volume  0.49550E+04 ppm1      2.500 ppm2      7.069
 ASSI { 3166}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.800     1.800     1.800 peak  3166 weight  0.10000E+01 volume  0.18640E+04 ppm1      1.415 ppm2      6.591
 ASSI { 3167}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.400     1.400     1.400 peak  3167 weight  0.10000E+01 volume  0.38750E+04 ppm1      1.346 ppm2      6.591
 ASSI { 3168}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.200     1.300     1.300 peak  3168 weight  0.10000E+01 volume  0.49990E+04 ppm1      1.060 ppm2      6.591
 ASSI { 3169}
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      4.000     2.000     2.000 peak  3169 weight  0.10000E+01 volume  0.14220E+04 ppm1      0.951 ppm2      6.592
 ASSI { 3170}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      4.300     2.300     2.300 peak  3170 weight  0.10000E+01 volume  0.89230E+03 ppm1      0.752 ppm2      6.591
 ASSI { 3171}
   (( segid "    " and resid "57  " and name "HG3 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.400     1.400     1.400 peak  3171 weight  0.10000E+01 volume  0.34320E+04 ppm1      0.702 ppm2      6.591
 ASSI { 3172}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.000     1.100     1.100 peak  3172 weight  0.10000E+01 volume  0.79120E+04 ppm1      0.516 ppm2      6.591
 ASSI { 3173}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      2.400     0.700     0.700 peak  3173 weight  0.10000E+01 volume  0.27250E+05 ppm1      0.453 ppm2      6.590
 OR { 3173}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
 ASSI { 3174}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      2.900     1.100     1.100 peak  3174 weight  0.10000E+01 volume  0.10140E+05 ppm1      1.537 ppm2      6.793
 OR { 3174}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
 ASSI { 3175}
   (( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      3.500     1.500     1.500 peak  3175 weight  0.10000E+01 volume  0.29400E+04 ppm1      1.458 ppm2      6.794
 ASSI { 3176}
   (( segid "    " and resid "52  " and name "HD2 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      3.000     3.000     4.000 peak  3176 weight  0.10000E+01 volume  0.86160E+04 ppm1      1.407 ppm2      6.794
 ASSI { 3177}
   (( segid "    " and resid "33  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      3.800     1.800     1.800 peak  3177 weight  0.10000E+01 volume  0.19540E+04 ppm1      1.280 ppm2      6.792
 ASSI { 3180}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      3.100     1.200     1.200 peak  3180 weight  0.10000E+01 volume  0.59680E+04 ppm1      0.941 ppm2      6.792
 ASSI { 3181}
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      3.100     1.200     1.200 peak  3181 weight  0.10000E+01 volume  0.64250E+04 ppm1      0.906 ppm2      6.793
 ASSI { 3182}
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      3.400     1.400     1.400 peak  3182 weight  0.10000E+01 volume  0.37010E+04 ppm1      0.864 ppm2      6.792
 ASSI { 3184}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      2.700     0.900     0.900 peak  3184 weight  0.10000E+01 volume  0.16140E+05 ppm1      0.705 ppm2      6.791
 OR { 3184}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
 ASSI { 3186}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      3.100     1.200     1.200 peak  3186 weight  0.10000E+01 volume  0.61340E+04 ppm1      0.567 ppm2      6.792
 ASSI { 3187}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      3.000     3.000     4.000 peak  3187 weight  0.10000E+01 volume  0.74220E+04 ppm1      0.516 ppm2      6.792
 ASSI { 3192}
   (( segid "    " and resid "52  " and name "HD2 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      3.300     3.300     3.700 peak  3192 weight  0.10000E+01 volume  0.42820E+04 ppm1      1.404 ppm2      7.016
 ASSI { 3193}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HZ  "))
      3.300     1.400     1.400 peak  3193 weight  0.10000E+01 volume  0.47430E+04 ppm1      1.407 ppm2      6.961
 ASSI { 3195}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.600     1.600     1.600 peak  3195 weight  0.10000E+01 volume  0.28320E+04 ppm1      1.344 ppm2      6.844
 ASSI { 3196}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.200     1.300     1.300 peak  3196 weight  0.10000E+01 volume  0.49490E+04 ppm1      1.059 ppm2      6.844
 ASSI { 3197}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.900     1.900     1.900 peak  3197 weight  0.10000E+01 volume  0.17600E+04 ppm1      0.957 ppm2      6.844
 ASSI { 3198}
   (( segid "    " and resid "57  " and name "HG3 "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.000     1.100     1.100 peak  3198 weight  0.10000E+01 volume  0.75570E+04 ppm1      0.702 ppm2      6.845
 ASSI { 3200}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      2.300     0.700     0.700 peak  3200 weight  0.10000E+01 volume  0.36150E+05 ppm1      0.439 ppm2      6.844
 OR { 3200}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
 ASSI { 3201}
   (( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HZ  "))
      2.800     1.000     1.000 peak  3201 weight  0.10000E+01 volume  0.11200E+05 ppm1      1.460 ppm2      6.962
 ASSI { 3202}
   (( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      2.800     1.000     1.000 peak  3202 weight  0.10000E+01 volume  0.10900E+05 ppm1      1.462 ppm2      7.015
 ASSI { 3203}
   (( segid "    " and resid "49  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HZ  "))
      3.200     1.300     1.300 peak  3203 weight  0.10000E+01 volume  0.55670E+04 ppm1      1.049 ppm2      6.961
 ASSI { 3205}
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
   (( segid "    " and resid "14  " and name "HZ  "))
      3.500     1.500     1.500 peak  3205 weight  0.10000E+01 volume  0.29530E+04 ppm1      0.905 ppm2      6.963
 ASSI { 3206}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "14  " and name "HZ  "))
      3.400     1.400     1.400 peak  3206 weight  0.10000E+01 volume  0.39990E+04 ppm1      0.705 ppm2      6.966
 OR { 3206}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "14  " and name "HZ  "))
 ASSI { 3207}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HZ  "))
      2.700     0.900     0.900 peak  3207 weight  0.10000E+01 volume  0.14070E+05 ppm1      0.484 ppm2      6.962
 ASSI { 3208}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HZ  "))
      2.200     0.600     0.600 peak  3208 weight  0.10000E+01 volume  0.51740E+05 ppm1      0.438 ppm2      6.960
 ASSI { 3209}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "14  " and name "HZ  "))
      3.300     1.400     1.400 peak  3209 weight  0.10000E+01 volume  0.45370E+04 ppm1      0.523 ppm2      6.962
 ASSI { 3210}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      3.000     1.100     1.100 peak  3210 weight  0.10000E+01 volume  0.81720E+04 ppm1      0.521 ppm2      7.016
 ASSI { 3212}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      2.400     0.700     0.700 peak  3212 weight  0.10000E+01 volume  0.30440E+05 ppm1      0.436 ppm2      7.014
 OR { 3212}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
 ASSI { 3213}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      2.500     0.800     0.800 peak  3213 weight  0.10000E+01 volume  0.23800E+05 ppm1      0.705 ppm2      7.016
 OR { 3213}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
 ASSI { 3214}
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      2.700     0.900     0.900 peak  3214 weight  0.10000E+01 volume  0.14790E+05 ppm1      0.902 ppm2      7.016
 ASSI { 3216}
   (( segid "    " and resid "49  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      3.000     1.100     1.100 peak  3216 weight  0.10000E+01 volume  0.73120E+04 ppm1      1.052 ppm2      7.015
 ASSI { 3217}
   (( segid "    " and resid "18  " and name "HG  "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      3.700     1.700     1.700 peak  3217 weight  0.10000E+01 volume  0.21590E+04 ppm1      1.282 ppm2      7.017
 ASSI { 3218}
   (( segid "    " and resid "18  " and name "HG  "))
   (( segid "    " and resid "14  " and name "HZ  "))
      4.600     2.600     2.400 peak  3218 weight  0.10000E+01 volume  0.61300E+03 ppm1      1.280 ppm2      6.960
 ASSI { 3219}
   (( segid "    " and resid "33  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HZ  "))
      3.700     1.700     1.700 peak  3219 weight  0.10000E+01 volume  0.22320E+04 ppm1      1.295 ppm2      7.069
 ASSI { 3221}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "38  " and name "HZ  "))
      3.900     1.900     1.900 peak  3221 weight  0.10000E+01 volume  0.15940E+04 ppm1      0.571 ppm2      7.069
 ASSI { 3224}
   (( segid "    " and resid "15  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      5.100     3.300     1.900 peak  3224 weight  0.10000E+01 volume  0.34160E+03 ppm1      3.433 ppm2      7.226
 ASSI { 3226}
   (( segid "    " and resid "33  " and name "HA  "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      2.900     1.100     1.100 peak  3226 weight  0.10000E+01 volume  0.88130E+04 ppm1      4.207 ppm2      7.257
 ASSI { 3227}
   (( segid "    " and resid "37  " and name "HA1 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      3.300     1.400     1.400 peak  3227 weight  0.10000E+01 volume  0.45640E+04 ppm1      4.118 ppm2      7.258
 ASSI { 3229}
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      3.400     1.400     1.400 peak  3229 weight  0.10000E+01 volume  0.35700E+04 ppm1      3.988 ppm2      7.279
 ASSI { 3230}
   (( segid "    " and resid "28  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      3.600     1.600     1.600 peak  3230 weight  0.10000E+01 volume  0.25790E+04 ppm1      4.187 ppm2      7.279
 ASSI { 3231}
   (( segid "    " and resid "17  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      3.200     1.300     1.300 peak  3231 weight  0.10000E+01 volume  0.49310E+04 ppm1      4.283 ppm2      7.279
 ASSI { 3232}
   (( segid "    " and resid "22  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      4.400     2.400     2.400 peak  3232 weight  0.10000E+01 volume  0.78810E+03 ppm1      4.514 ppm2      7.279
 ASSI { 3234}
   (( segid "    " and resid "34  " and name "HA  "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      3.100     1.200     1.200 peak  3234 weight  0.10000E+01 volume  0.68410E+04 ppm1      4.124 ppm2      7.451
 ASSI { 3242}
   (( segid "    " and resid "15  " and name "HE3 "))
   (( segid "    " and resid "53  " and name "HZ  "))
      3.800     1.800     1.800 peak  3242 weight  0.10000E+01 volume  0.17790E+04 ppm1      2.410 ppm2      7.339
 ASSI { 3243}
   (( segid "    " and resid "52  " and name "HE2 "))
   (( segid "    " and resid "53  " and name "HZ  "))
      3.800     1.800     1.800 peak  3243 weight  0.10000E+01 volume  0.20580E+04 ppm1      2.779 ppm2      7.341
 ASSI { 3246}
   (( segid "    " and resid "49  " and name "HG2 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.500     1.500     1.500 peak  3246 weight  0.10000E+01 volume  0.33100E+04 ppm1      2.607 ppm2      7.513
 ASSI { 3247}
   (( segid "    " and resid "15  " and name "HE3 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      3.600     1.600     1.600 peak  3247 weight  0.10000E+01 volume  0.28460E+04 ppm1      2.412 ppm2      7.223
 ASSI { 3248}
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      2.400     0.700     0.700 peak  3248 weight  0.10000E+01 volume  0.29480E+05 ppm1      2.487 ppm2      7.279
 ASSI { 3249}
   (( segid "    " and resid "22  " and name "HE2 "))
   (( segid "    " and resid "23  " and name "HZ  "))
      3.000     1.100     1.100 peak  3249 weight  0.10000E+01 volume  0.84680E+04 ppm1      2.698 ppm2      7.353
 OR { 3249}
   (( segid "    " and resid "22  " and name "HE3 "))
   (( segid "    " and resid "23  " and name "HZ  "))
 ASSI { 3250}
   (( segid "    " and resid "14  " and name "HB2 "))
   (( segid "    " and resid "53  " and name "HZ  "))
      4.000     2.000     2.000 peak  3250 weight  0.10000E+01 volume  0.14140E+04 ppm1      3.147 ppm2      7.353
 ASSI { 3251}
   (( segid "    " and resid "29  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      3.600     1.600     1.600 peak  3251 weight  0.10000E+01 volume  0.24520E+04 ppm1      3.146 ppm2      7.415
 ASSI { 3252}
   (( segid "    " and resid "22  " and name "HE2 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      3.100     1.200     1.200 peak  3252 weight  0.10000E+01 volume  0.62380E+04 ppm1      2.697 ppm2      7.417
 OR { 3252}
   (( segid "    " and resid "22  " and name "HE3 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
 ASSI { 3257}
   (( segid "    " and resid "15  " and name "HE3 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.900     1.900     1.900 peak  3257 weight  0.10000E+01 volume  0.16190E+04 ppm1      2.418 ppm2      7.514
 ASSI { 3258}
   (( segid "    " and resid "15  " and name "HA  "))
   (( segid "    " and resid "18  " and name "HN  "))
      2.800     1.000     1.000 peak  3258 weight  0.10000E+01 volume  0.11070E+05 ppm1      3.437 ppm2      7.515
 ASSI { 3259}
   (( segid "    " and resid "49  " and name "HG3 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.300     1.400     1.400 peak  3259 weight  0.10000E+01 volume  0.44270E+04 ppm1      2.042 ppm2      7.514
 ASSI { 3260}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      2.900     1.100     1.100 peak  3260 weight  0.10000E+01 volume  0.94130E+04 ppm1      1.516 ppm2      7.514
 OR { 3260}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
 ASSI { 3261}
   (( segid "    " and resid "52  " and name "HB2 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.800     1.800     1.800 peak  3261 weight  0.10000E+01 volume  0.18950E+04 ppm1      1.721 ppm2      7.517
 ASSI { 3262}
   (( segid "    " and resid "52  " and name "HD2 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.800     1.800     1.800 peak  3262 weight  0.10000E+01 volume  0.19420E+04 ppm1      1.409 ppm2      7.516
 ASSI { 3263}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "53  " and name "HZ  "))
      3.700     1.700     1.700 peak  3263 weight  0.10000E+01 volume  0.23960E+04 ppm1      1.526 ppm2      7.340
 OR { 3263}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "53  " and name "HZ  "))
 ASSI { 3265}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.000     1.100     1.100 peak  3265 weight  0.10000E+01 volume  0.80350E+04 ppm1      0.959 ppm2      7.515
 OR { 3265}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
 ASSI { 3266}
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      4.000     2.000     2.000 peak  3266 weight  0.10000E+01 volume  0.13890E+04 ppm1      0.860 ppm2      7.514
 ASSI { 3269}
   (( segid "    " and resid "52  " and name "HG3 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.900     1.900     1.900 peak  3269 weight  0.10000E+01 volume  0.16020E+04 ppm1      0.709 ppm2      7.514
 ASSI { 3271}
   (( segid "    " and resid "10  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      3.600     1.600     1.600 peak  3271 weight  0.10000E+01 volume  0.25610E+04 ppm1      1.841 ppm2      7.451
 ASSI { 3274}
   (( segid "    " and resid "33  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      2.600     0.800     0.800 peak  3274 weight  0.10000E+01 volume  0.18000E+05 ppm1      1.281 ppm2      7.451
 ASSI { 3275}
   (( segid "    " and resid "10  " and name "HG  "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      4.200     2.200     2.200 peak  3275 weight  0.10000E+01 volume  0.10460E+04 ppm1      1.097 ppm2      7.451
 ASSI { 3277}
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      3.000     1.100     1.100 peak  3277 weight  0.10000E+01 volume  0.83770E+04 ppm1      0.740 ppm2      7.451
 ASSI { 3282}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "23  " and name "HZ  "))
      3.400     1.400     1.400 peak  3282 weight  0.10000E+01 volume  0.35920E+04 ppm1      0.519 ppm2      7.355
 ASSI { 3286}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HZ  "))
      4.500     2.500     2.500 peak  3286 weight  0.10000E+01 volume  0.71980E+03 ppm1      1.833 ppm2      7.342
 ASSI { 3287}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      3.300     1.400     1.400 peak  3287 weight  0.10000E+01 volume  0.44140E+04 ppm1      1.827 ppm2      7.417
 ASSI { 3288}
   (( segid "    " and resid "29  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      2.800     1.000     1.000 peak  3288 weight  0.10000E+01 volume  0.11860E+05 ppm1      3.143 ppm2      7.279
 ASSI { 3289}
   (( segid "    " and resid "22  " and name "HE2 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      4.300     2.300     2.300 peak  3289 weight  0.10000E+01 volume  0.97910E+03 ppm1      2.692 ppm2      7.279
 OR { 3289}
   (( segid "    " and resid "22  " and name "HE3 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
 ASSI { 3290}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      3.300     1.400     1.400 peak  3290 weight  0.10000E+01 volume  0.41820E+04 ppm1      1.830 ppm2      7.277
 ASSI { 3291}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      3.400     1.400     1.400 peak  3291 weight  0.10000E+01 volume  0.37270E+04 ppm1      1.390 ppm2      7.280
 ASSI { 3293}
   (( segid "    " and resid "22  " and name "HB3 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      3.600     1.600     1.600 peak  3293 weight  0.10000E+01 volume  0.26410E+04 ppm1      1.095 ppm2      7.279
 ASSI { 3295}
   (( segid "    " and resid "18  " and name "HG  "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      3.500     1.500     1.500 peak  3295 weight  0.10000E+01 volume  0.33330E+04 ppm1      1.289 ppm2      7.281
 ASSI { 3296}
   (( segid "    " and resid "22  " and name "HB3 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      3.500     1.500     1.500 peak  3296 weight  0.10000E+01 volume  0.32410E+04 ppm1      1.099 ppm2      7.419
 ASSI { 3298}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      2.500     0.800     0.800 peak  3298 weight  0.10000E+01 volume  0.26430E+05 ppm1      1.392 ppm2      7.419
 ASSI { 3301}
   (( segid "    " and resid "17  " and name "HG  "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      4.600     2.600     2.400 peak  3301 weight  0.10000E+01 volume  0.61390E+03 ppm1      2.034 ppm2      7.281
 ASSI { 3302}
   (( segid "    " and resid "17  " and name "HG  "))
   (( segid "    " and resid "23  " and name "HZ  "))
      5.100     3.300     1.900 peak  3302 weight  0.10000E+01 volume  0.31700E+03 ppm1      2.040 ppm2      7.350
 ASSI { 3308}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      2.900     1.100     1.100 peak  3308 weight  0.10000E+01 volume  0.10340E+05 ppm1      0.421 ppm2      7.277
 ASSI { 3309}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      2.900     1.100     1.100 peak  3309 weight  0.10000E+01 volume  0.92270E+04 ppm1      0.519 ppm2      7.276
 ASSI { 3310}
   (( segid "    " and resid "22  " and name "HG2 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      3.300     1.400     1.400 peak  3310 weight  0.10000E+01 volume  0.42890E+04 ppm1      0.652 ppm2      7.276
 ASSI { 3313}
   (( segid "    " and resid "22  " and name "HG3 "))
   (( segid "    " and resid "23  " and name "HZ  "))
      3.900     1.900     1.900 peak  3313 weight  0.10000E+01 volume  0.17010E+04 ppm1      0.577 ppm2      7.355
 ASSI { 3314}
   (( segid "    " and resid "22  " and name "HG3 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      3.300     1.400     1.400 peak  3314 weight  0.10000E+01 volume  0.48210E+04 ppm1      0.574 ppm2      7.419
 ASSI { 3315}
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      5.000     3.100     2.000 peak  3315 weight  0.10000E+01 volume  0.37910E+03 ppm1      0.253 ppm2      7.016
 ASSI { 3318}
   (( segid "    " and resid "33  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      3.300     1.400     1.400 peak  3318 weight  0.10000E+01 volume  0.47480E+04 ppm1      1.297 ppm2      7.257
 ASSI { 3324}
   (( segid "    " and resid "49  " and name "HG3 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      3.300     1.400     1.400 peak  3324 weight  0.10000E+01 volume  0.45680E+04 ppm1      2.048 ppm2      7.225
 ASSI { 3326}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      3.000     1.100     1.100 peak  3326 weight  0.10000E+01 volume  0.77730E+04 ppm1      1.518 ppm2      7.224
 OR { 3326}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
 ASSI { 3331}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      3.600     1.600     1.600 peak  3331 weight  0.10000E+01 volume  0.25980E+04 ppm1      0.953 ppm2      7.231
 OR { 3331}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
 ASSI { 3335}
   (( segid "    " and resid "26  " and name "HG3 "))
   (( segid "    " and resid "26  " and name "HA  "))
      3.000     1.100     1.100 peak  3335 weight  0.10000E+01 volume  0.86460E+04 ppm1      2.598 ppm2      3.801
 OR { 3335}
   (( segid "    " and resid "26  " and name "HG2 "))
   (( segid "    " and resid "26  " and name "HA  "))
 ASSI { 3338}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "26  " and name "HA  "))
      3.300     1.400     1.400 peak  3338 weight  0.10000E+01 volume  0.48690E+04 ppm1      0.705 ppm2      3.804
 OR { 3338}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "26  " and name "HA  "))
 ASSI { 3343}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "26  " and name "HA  "))
      2.500     0.800     0.800 peak  3343 weight  0.10000E+01 volume  0.23350E+05 ppm1      0.520 ppm2      3.802
 ASSI { 3344}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "26  " and name "HA  "))
      3.300     1.400     1.400 peak  3344 weight  0.10000E+01 volume  0.41700E+04 ppm1      0.419 ppm2      3.802
 ASSI { 3345}
   (( segid "    " and resid "67  " and name "HA  "))
   (( segid "    " and resid "57  " and name "HA  "))
      2.200     0.600     0.600 peak  3345 weight  0.10000E+01 volume  0.54380E+05 ppm1      4.963 ppm2      5.095
 ASSI { 3346}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HA  "))
      2.300     0.700     0.700 peak  3346 weight  0.10000E+01 volume  0.44400E+05 ppm1      4.722 ppm2      4.900
 ASSI { 3347}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "26  " and name "HA  "))
      2.600     2.600     4.400 peak  3347 weight  0.10000E+01 volume  0.16800E+05 ppm1      1.962 ppm2      3.804
 ASSI { 3349}
   (( segid "    " and resid "69  " and name "HG  "))
   (( segid "    " and resid "70  " and name "HD2 "))
      3.400     1.400     1.400 peak  3349 weight  0.10000E+01 volume  0.39840E+04 ppm1      1.683 ppm2      3.846
 ASSI { 3350}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "53  " and name "HB2 "))
      4.100     2.100     2.100 peak  3350 weight  0.10000E+01 volume  0.11710E+04 ppm1      1.460 ppm2      3.486
 ASSI { 3351}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "53  " and name "HB2 "))
      4.200     2.200     2.200 peak  3351 weight  0.10000E+01 volume  0.10290E+04 ppm1      1.542 ppm2      3.488
 OR { 3351}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "53  " and name "HB2 "))
 ASSI { 3354}
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      2.700     0.900     0.900 peak  3354 weight  0.10000E+01 volume  0.14830E+05 ppm1      7.009 ppm2      7.517
 ASSI { 3356}
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.200     1.300     1.300 peak  3356 weight  0.10000E+01 volume  0.58610E+04 ppm1      6.788 ppm2      7.516
 ASSI { 3359}
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      3.100     1.200     1.200 peak  3359 weight  0.10000E+01 volume  0.63260E+04 ppm1      6.784 ppm2      7.231
 ASSI { 3360}
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      1.900     0.500     0.500 peak  3360 weight  0.10000E+01 volume  0.13370E+06 ppm1      6.789 ppm2      7.016
 ASSI { 3365}
   (( segid "    " and resid "42  " and name "HA  "))
   (( segid "    " and resid "43  " and name "HA  "))
      3.900     1.900     1.900 peak  3365 weight  0.10000E+01 volume  0.15390E+04 ppm1      4.712 ppm2      3.617
 ASSI {   12}
   (( segid "    " and resid "1   " and name "HB3 "))
   (( segid "    " and resid "1   " and name "HG2 "))
      6.000     6.000     1.000 peak    12 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.137 ppm2      2.387
 OR {   12}
   (( segid "    " and resid "1   " and name "HB2 "))
   (( segid "    " and resid "1   " and name "HG3 "))
 OR {   12}
   (( segid "    " and resid "1   " and name "HB2 "))
   (( segid "    " and resid "1   " and name "HG2 "))
 OR {   12}
   (( segid "    " and resid "1   " and name "HB3 "))
   (( segid "    " and resid "1   " and name "HG3 "))
 ASSI {   14}
   (( segid "    " and resid "1   " and name "HG2 "))
   (( segid "    " and resid "1   " and name "HA  "))
      6.000     6.000     1.000 peak    14 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      4.140
 OR {   14}
   (( segid "    " and resid "1   " and name "HG3 "))
   (( segid "    " and resid "1   " and name "HA  "))
 ASSI {   32}
   (( segid "    " and resid "2   " and name "HB2 "))
   (( segid "    " and resid "2   " and name "HA  "))
      6.000     6.000     1.000 peak    32 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.849 ppm2      4.432
 ASSI {   36}
   (( segid "    " and resid "2   " and name "HB2 "))
   (( segid "    " and resid "2   " and name "HD3 "))
      6.000     6.000     1.000 peak    36 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.849 ppm2      3.143
 OR {   36}
   (( segid "    " and resid "2   " and name "HB2 "))
   (( segid "    " and resid "2   " and name "HD2 "))
 ASSI {   39}
   (( segid "    " and resid "2   " and name "HB3 "))
   (( segid "    " and resid "2   " and name "HA  "))
      6.000     6.000     1.000 peak    39 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.760 ppm2      4.432
 ASSI {   43}
   (( segid "    " and resid "2   " and name "HB3 "))
   (( segid "    " and resid "2   " and name "HD2 "))
      6.000     6.000     1.000 peak    43 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.760 ppm2      3.143
 OR {   43}
   (( segid "    " and resid "2   " and name "HB3 "))
   (( segid "    " and resid "2   " and name "HD3 "))
 ASSI {   47}
   (( segid "    " and resid "2   " and name "HG3 "))
   (( segid "    " and resid "2   " and name "HB2 "))
      6.000     6.000     1.000 peak    47 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.649 ppm2      1.849
 OR {   47}
   (( segid "    " and resid "2   " and name "HG2 "))
   (( segid "    " and resid "2   " and name "HB2 "))
 ASSI {   48}
   (( segid "    " and resid "2   " and name "HG2 "))
   (( segid "    " and resid "2   " and name "HB3 "))
      6.000     6.000     1.000 peak    48 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.649 ppm2      1.760
 OR {   48}
   (( segid "    " and resid "2   " and name "HG3 "))
   (( segid "    " and resid "2   " and name "HB3 "))
 ASSI {   50}
   (( segid "    " and resid "2   " and name "HG2 "))
   (( segid "    " and resid "2   " and name "HD2 "))
      6.000     6.000     1.000 peak    50 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.649 ppm2      3.143
 OR {   50}
   (( segid "    " and resid "2   " and name "HG3 "))
   (( segid "    " and resid "2   " and name "HD3 "))
 OR {   50}
   (( segid "    " and resid "2   " and name "HG2 "))
   (( segid "    " and resid "2   " and name "HD3 "))
 ASSI {   75}
   (( segid "    " and resid "3   " and name "HB2 "))
   (( segid "    " and resid "3   " and name "HA  "))
      6.000     6.000     1.000 peak    75 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.920 ppm2      4.474
 ASSI {   79}
   (( segid "    " and resid "3   " and name "HB3 "))
   (( segid "    " and resid "3   " and name "HA  "))
      6.000     6.000     1.000 peak    79 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.881 ppm2      4.474
 ASSI {   91}
   (( segid "    " and resid "4   " and name "HB2 "))
   (( segid "    " and resid "4   " and name "HA  "))
      6.000     6.000     1.000 peak    91 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      4.488
 ASSI {   95}
   (( segid "    " and resid "4   " and name "HB3 "))
   (( segid "    " and resid "4   " and name "HA  "))
      6.000     6.000     1.000 peak    95 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.880 ppm2      4.488
 ASSI {   96}
   (( segid "    " and resid "4   " and name "HB3 "))
   (( segid "    " and resid "4   " and name "HB2 "))
      6.000     6.000     1.000 peak    96 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.880 ppm2      3.972
 ASSI {  105}
   (( segid "    " and resid "5   " and name "HB2 ")
     OR 
    ( segid "    " and resid "5   " and name "HB3 ")
     OR 
    ( segid "    " and resid "5   " and name "HB1 "))
   (( segid "    " and resid "5   " and name "HA  "))
      6.000     6.000     1.000 peak   105 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.352 ppm2      4.350
 ASSI {  124}
   (( segid "    " and resid "6   " and name "HB2 "))
   (( segid "    " and resid "6   " and name "HA  "))
      6.000     6.000     1.000 peak   124 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.021 ppm2      4.346
 ASSI {  130}
   (( segid "    " and resid "6   " and name "HB2 "))
   (( segid "    " and resid "6   " and name "HE3 "))
      6.000     6.000     1.000 peak   130 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.021 ppm2      2.980
 OR {  130}
   (( segid "    " and resid "6   " and name "HB2 "))
   (( segid "    " and resid "6   " and name "HE2 "))
 ASSI {  132}
   (( segid "    " and resid "6   " and name "HB3 "))
   (( segid "    " and resid "6   " and name "HA  "))
      6.000     6.000     1.000 peak   132 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.869 ppm2      4.346
 ASSI {  133}
   (( segid "    " and resid "6   " and name "HB3 "))
   (( segid "    " and resid "6   " and name "HB2 "))
      6.000     6.000     1.000 peak   133 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.869 ppm2      2.021
 ASSI {  138}
   (( segid "    " and resid "6   " and name "HB3 "))
   (( segid "    " and resid "6   " and name "HE2 "))
      6.000     6.000     1.000 peak   138 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.869 ppm2      2.980
 OR {  138}
   (( segid "    " and resid "6   " and name "HB3 "))
   (( segid "    " and resid "6   " and name "HE3 "))
 ASSI {  141}
   (( segid "    " and resid "6   " and name "HG2 "))
   (( segid "    " and resid "6   " and name "HB2 "))
      6.000     6.000     1.000 peak   141 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      2.021
 ASSI {  142}
   (( segid "    " and resid "6   " and name "HG2 "))
   (( segid "    " and resid "6   " and name "HB3 "))
      6.000     6.000     1.000 peak   142 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      1.869
 ASSI {  145}
   (( segid "    " and resid "6   " and name "HG2 "))
   (( segid "    " and resid "6   " and name "HD3 "))
      6.000     6.000     1.000 peak   145 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      1.747
 OR {  145}
   (( segid "    " and resid "6   " and name "HG2 "))
   (( segid "    " and resid "6   " and name "HD2 "))
 ASSI {  146}
   (( segid "    " and resid "6   " and name "HG2 "))
   (( segid "    " and resid "6   " and name "HE3 "))
      6.000     6.000     1.000 peak   146 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      2.980
 OR {  146}
   (( segid "    " and resid "6   " and name "HG2 "))
   (( segid "    " and resid "6   " and name "HE2 "))
 ASSI {  151}
   (( segid "    " and resid "6   " and name "HG3 "))
   (( segid "    " and resid "6   " and name "HG2 "))
      6.000     6.000     1.000 peak   151 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.505 ppm2      1.578
 ASSI {  153}
   (( segid "    " and resid "6   " and name "HG3 "))
   (( segid "    " and resid "6   " and name "HD3 "))
      6.000     6.000     1.000 peak   153 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.505 ppm2      1.747
 OR {  153}
   (( segid "    " and resid "6   " and name "HG3 "))
   (( segid "    " and resid "6   " and name "HD2 "))
 ASSI {  154}
   (( segid "    " and resid "6   " and name "HG3 "))
   (( segid "    " and resid "6   " and name "HE2 "))
      6.000     6.000     1.000 peak   154 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.505 ppm2      2.980
 OR {  154}
   (( segid "    " and resid "6   " and name "HG3 "))
   (( segid "    " and resid "6   " and name "HE3 "))
 ASSI {  156}
   (( segid "    " and resid "6   " and name "HD2 "))
   (( segid "    " and resid "6   " and name "HA  "))
      6.000     6.000     1.000 peak   156 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      4.346
 OR {  156}
   (( segid "    " and resid "6   " and name "HD3 "))
   (( segid "    " and resid "6   " and name "HA  "))
 ASSI {  157}
   (( segid "    " and resid "6   " and name "HD3 "))
   (( segid "    " and resid "6   " and name "HB2 "))
      6.000     6.000     1.000 peak   157 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      2.021
 OR {  157}
   (( segid "    " and resid "6   " and name "HD2 "))
   (( segid "    " and resid "6   " and name "HB2 "))
 ASSI {  162}
   (( segid "    " and resid "6   " and name "HD3 "))
   (( segid "    " and resid "6   " and name "HE3 "))
      6.000     6.000     1.000 peak   162 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      2.980
 OR {  162}
   (( segid "    " and resid "6   " and name "HD3 "))
   (( segid "    " and resid "6   " and name "HE2 "))
 OR {  162}
   (( segid "    " and resid "6   " and name "HD2 "))
   (( segid "    " and resid "6   " and name "HE3 "))
 OR {  162}
   (( segid "    " and resid "6   " and name "HD2 "))
   (( segid "    " and resid "6   " and name "HE2 "))
 ASSI {  186}
   (( segid "    " and resid "7   " and name "HB2 "))
   (( segid "    " and resid "7   " and name "HA  "))
      6.000     6.000     1.000 peak   186 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.162 ppm2      4.132
 ASSI {  189}
   (( segid "    " and resid "7   " and name "HB2 "))
   (( segid "    " and resid "7   " and name "HG3 "))
      6.000     6.000     1.000 peak   189 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.162 ppm2      2.472
 OR {  189}
   (( segid "    " and resid "7   " and name "HB2 "))
   (( segid "    " and resid "7   " and name "HG2 "))
 ASSI {  193}
   (( segid "    " and resid "7   " and name "HB3 "))
   (( segid "    " and resid "7   " and name "HA  "))
      6.000     6.000     1.000 peak   193 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.110 ppm2      4.132
 ASSI {  200}
   (( segid "    " and resid "7   " and name "HG2 "))
   (( segid "    " and resid "7   " and name "HA  "))
      6.000     6.000     1.000 peak   200 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.472 ppm2      4.132
 OR {  200}
   (( segid "    " and resid "7   " and name "HG3 "))
   (( segid "    " and resid "7   " and name "HA  "))
 ASSI {  229}
   (( segid "    " and resid "8   " and name "HG2 "))
   (( segid "    " and resid "8   " and name "HA  "))
      6.000     6.000     1.000 peak   229 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.382 ppm2      4.149
 OR {  229}
   (( segid "    " and resid "8   " and name "HG3 "))
   (( segid "    " and resid "8   " and name "HA  "))
 ASSI {  233}
   (( segid "    " and resid "8   " and name "HB2 "))
   (( segid "    " and resid "8   " and name "HA  "))
      6.000     6.000     1.000 peak   233 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.130 ppm2      4.149
 OR {  233}
   (( segid "    " and resid "8   " and name "HB3 "))
   (( segid "    " and resid "8   " and name "HA  "))
 ASSI {  234}
   (( segid "    " and resid "8   " and name "HB3 "))
   (( segid "    " and resid "8   " and name "HG3 "))
      6.000     6.000     1.000 peak   234 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.130 ppm2      2.382
 OR {  234}
   (( segid "    " and resid "8   " and name "HB2 "))
   (( segid "    " and resid "8   " and name "HG3 "))
 OR {  234}
   (( segid "    " and resid "8   " and name "HB3 "))
   (( segid "    " and resid "8   " and name "HG2 "))
 ASSI {  247}
   (( segid "    " and resid "9   " and name "HB2 "))
   (( segid "    " and resid "9   " and name "HA  "))
      6.000     6.000     1.000 peak   247 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.398 ppm2      4.198
 ASSI {  250}
   (( segid "    " and resid "9   " and name "HB2 "))
   (( segid "    " and resid "9   " and name "HG3 "))
      6.000     6.000     1.000 peak   250 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.398 ppm2      2.522
 OR {  250}
   (( segid "    " and resid "9   " and name "HB2 "))
   (( segid "    " and resid "9   " and name "HG2 "))
 ASSI {  252}
   (( segid "    " and resid "9   " and name "HB3 "))
   (( segid "    " and resid "9   " and name "HA  "))
      6.000     6.000     1.000 peak   252 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.358 ppm2      4.198
 ASSI {  255}
   (( segid "    " and resid "9   " and name "HB3 "))
   (( segid "    " and resid "9   " and name "HG2 "))
      6.000     6.000     1.000 peak   255 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.358 ppm2      2.522
 OR {  255}
   (( segid "    " and resid "9   " and name "HB3 "))
   (( segid "    " and resid "9   " and name "HG3 "))
 ASSI {  292}
   (( segid "    " and resid "10  " and name "HG  "))
   (( segid "    " and resid "10  " and name "HB3 "))
      6.000     6.000     1.000 peak   292 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.091 ppm2      1.337
 ASSI {  300}
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
   (( segid "    " and resid "10  " and name "HG  "))
      6.000     6.000     1.000 peak   300 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.748 ppm2      1.091
 ASSI {  333}
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
      6.000     6.000     1.000 peak   333 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.864 ppm2      1.099
 ASSI {  358}
   (( segid "    " and resid "12  " and name "HB2 "))
   (( segid "    " and resid "12  " and name "HE2 "))
      6.000     6.000     1.000 peak   358 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.922 ppm2      2.981
 OR {  358}
   (( segid "    " and resid "12  " and name "HB3 "))
   (( segid "    " and resid "12  " and name "HE2 "))
 OR {  358}
   (( segid "    " and resid "12  " and name "HB3 "))
   (( segid "    " and resid "12  " and name "HE3 "))
 ASSI {  360}
   (( segid "    " and resid "12  " and name "HG2 "))
   (( segid "    " and resid "12  " and name "HA  "))
      6.000     6.000     1.000 peak   360 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.536 ppm2      3.902
 ASSI {  361}
   (( segid "    " and resid "12  " and name "HG2 "))
   (( segid "    " and resid "12  " and name "HB3 "))
      6.000     6.000     1.000 peak   361 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.536 ppm2      1.922
 OR {  361}
   (( segid "    " and resid "12  " and name "HG2 "))
   (( segid "    " and resid "12  " and name "HB2 "))
 ASSI {  364}
   (( segid "    " and resid "12  " and name "HG2 "))
   (( segid "    " and resid "12  " and name "HD2 "))
      6.000     6.000     1.000 peak   364 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.536 ppm2      1.737
 ASSI {  365}
   (( segid "    " and resid "12  " and name "HG2 "))
   (( segid "    " and resid "12  " and name "HD3 "))
      6.000     6.000     1.000 peak   365 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.536 ppm2      1.602
 ASSI {  366}
   (( segid "    " and resid "12  " and name "HG2 "))
   (( segid "    " and resid "12  " and name "HE3 "))
      6.000     6.000     1.000 peak   366 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.536 ppm2      2.981
 OR {  366}
   (( segid "    " and resid "12  " and name "HG2 "))
   (( segid "    " and resid "12  " and name "HE2 "))
 ASSI {  368}
   (( segid "    " and resid "12  " and name "HG3 "))
   (( segid "    " and resid "12  " and name "HA  "))
      6.000     6.000     1.000 peak   368 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      3.902
 ASSI {  370}
   (( segid "    " and resid "12  " and name "HG3 "))
   (( segid "    " and resid "12  " and name "HG2 "))
      6.000     6.000     1.000 peak   370 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      1.536
 ASSI {  372}
   (( segid "    " and resid "12  " and name "HG3 "))
   (( segid "    " and resid "12  " and name "HD2 "))
      6.000     6.000     1.000 peak   372 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      1.737
 ASSI {  374}
   (( segid "    " and resid "12  " and name "HG3 "))
   (( segid "    " and resid "12  " and name "HE2 "))
      6.000     6.000     1.000 peak   374 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      2.981
 OR {  374}
   (( segid "    " and resid "12  " and name "HG3 "))
   (( segid "    " and resid "12  " and name "HE3 "))
 ASSI {  376}
   (( segid "    " and resid "12  " and name "HD2 "))
   (( segid "    " and resid "12  " and name "HA  "))
      6.000     6.000     1.000 peak   376 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.737 ppm2      3.902
 ASSI {  382}
   (( segid "    " and resid "12  " and name "HD2 "))
   (( segid "    " and resid "12  " and name "HE2 "))
      6.000     6.000     1.000 peak   382 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.737 ppm2      2.981
 OR {  382}
   (( segid "    " and resid "12  " and name "HD2 "))
   (( segid "    " and resid "12  " and name "HE3 "))
 ASSI {  385}
   (( segid "    " and resid "12  " and name "HD3 "))
   (( segid "    " and resid "12  " and name "HB3 "))
      6.000     6.000     1.000 peak   385 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      1.922
 OR {  385}
   (( segid "    " and resid "12  " and name "HD3 "))
   (( segid "    " and resid "12  " and name "HB2 "))
 ASSI {  388}
   (( segid "    " and resid "12  " and name "HD3 "))
   (( segid "    " and resid "12  " and name "HD2 "))
      6.000     6.000     1.000 peak   388 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      1.737
 ASSI {  390}
   (( segid "    " and resid "12  " and name "HD3 "))
   (( segid "    " and resid "12  " and name "HE3 "))
      6.000     6.000     1.000 peak   390 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      2.981
 OR {  390}
   (( segid "    " and resid "12  " and name "HD3 "))
   (( segid "    " and resid "12  " and name "HE2 "))
 ASSI {  406}
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
   (( segid "    " and resid "13  " and name "HA  "))
      6.000     6.000     1.000 peak   406 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      4.200
 ASSI {  431}
   (( segid "    " and resid "14  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HB2 "))
      6.000     6.000     1.000 peak   431 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.858 ppm2      3.155
 ASSI {  480}
   (( segid "    " and resid "65  " and name "HE2 ")
     OR 
    ( segid "    " and resid "65  " and name "HE3 ")
     OR 
    ( segid "    " and resid "65  " and name "HE1 "))
   (( segid "    " and resid "65  " and name "HG2 "))
      6.000     6.000     1.000 peak   480 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.847 ppm2      2.423
 ASSI {  490}
   (( segid "    " and resid "15  " and name "HG2 "))
   (( segid "    " and resid "15  " and name "HA  "))
      6.000     6.000     1.000 peak   490 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.928 ppm2      3.440
 OR {  490}
   (( segid "    " and resid "15  " and name "HG3 "))
   (( segid "    " and resid "15  " and name "HA  "))
 ASSI {  506}
   (( segid "    " and resid "49  " and name "HG2 "))
   (( segid "    " and resid "46  " and name "HA  "))
      6.000     6.000     1.000 peak   506 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.566 ppm2      3.440
 ASSI {  548}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "17  " and name "HG  "))
      6.000     6.000     1.000 peak   548 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.828 ppm2      2.034
 ASSI {  552}
   (( segid "    " and resid "17  " and name "HB3 "))
   (( segid "    " and resid "17  " and name "HA  "))
      6.000     6.000     1.000 peak   552 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.211 ppm2      4.284
 ASSI {  559}
   (( segid "    " and resid "17  " and name "HG  "))
   (( segid "    " and resid "17  " and name "HA  "))
      6.000     6.000     1.000 peak   559 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.034 ppm2      4.284
 ASSI {  577}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
      6.000     6.000     1.000 peak   577 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.515 ppm2      0.777
 ASSI {  594}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "18  " and name "HA  "))
      6.000     6.000     1.000 peak   594 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.424 ppm2      3.994
 ASSI {  598}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "18  " and name "HB2 "))
      6.000     6.000     1.000 peak   598 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.424 ppm2      1.880
 ASSI {  601}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "18  " and name "HA  "))
      6.000     6.000     1.000 peak   601 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.492 ppm2      3.994
 ASSI {  605}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "18  " and name "HB2 "))
      6.000     6.000     1.000 peak   605 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.492 ppm2      1.880
 ASSI {  615}
   (( segid "    " and resid "18  " and name "HB2 "))
   (( segid "    " and resid "18  " and name "HA  "))
      6.000     6.000     1.000 peak   615 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.880 ppm2      3.994
 ASSI {  625}
   (( segid "    " and resid "18  " and name "HB3 "))
   (( segid "    " and resid "18  " and name "HG  "))
      6.000     6.000     1.000 peak   625 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.190 ppm2      1.285
 ASSI {  645}
   (( segid "    " and resid "19  " and name "HB2 "))
   (( segid "    " and resid "19  " and name "HA  "))
      6.000     6.000     1.000 peak   645 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      4.280
 ASSI {  663}
   (( segid "    " and resid "19  " and name "HG2 "))
   (( segid "    " and resid "19  " and name "HB3 "))
      6.000     6.000     1.000 peak   663 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.628 ppm2      1.933
 ASSI {  666}
   (( segid "    " and resid "19  " and name "HG2 "))
   (( segid "    " and resid "19  " and name "HD2 "))
      6.000     6.000     1.000 peak   666 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.628 ppm2      1.710
 OR {  666}
   (( segid "    " and resid "19  " and name "HG2 "))
   (( segid "    " and resid "19  " and name "HD3 "))
 ASSI {  675}
   (( segid "    " and resid "19  " and name "HG3 "))
   (( segid "    " and resid "19  " and name "HE2 "))
      6.000     6.000     1.000 peak   675 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.554 ppm2      2.963
 OR {  675}
   (( segid "    " and resid "19  " and name "HG3 "))
   (( segid "    " and resid "19  " and name "HE3 "))
 ASSI {  683}
   (( segid "    " and resid "19  " and name "HD2 "))
   (( segid "    " and resid "19  " and name "HE2 "))
      6.000     6.000     1.000 peak   683 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.710 ppm2      2.963
 OR {  683}
   (( segid "    " and resid "19  " and name "HD2 "))
   (( segid "    " and resid "19  " and name "HE3 "))
 OR {  683}
   (( segid "    " and resid "19  " and name "HD3 "))
   (( segid "    " and resid "19  " and name "HE2 "))
 ASSI {  706}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "20  " and name "HG3 "))
      6.000     6.000     1.000 peak   706 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.354 ppm2      2.812
 OR {  706}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "20  " and name "HG2 "))
 ASSI {  709}
   (( segid "    " and resid "20  " and name "HB3 "))
   (( segid "    " and resid "20  " and name "HB2 "))
      6.000     6.000     1.000 peak   709 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.091 ppm2      2.354
 ASSI {  730}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "21  " and name "HA  "))
      6.000     6.000     1.000 peak   730 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.220 ppm2      3.974
 ASSI {  733}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "21  " and name "HG2 "))
      6.000     6.000     1.000 peak   733 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.220 ppm2      2.428
 ASSI {  734}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "21  " and name "HG3 "))
      6.000     6.000     1.000 peak   734 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.220 ppm2      2.322
 ASSI {  737}
   (( segid "    " and resid "21  " and name "HB3 "))
   (( segid "    " and resid "21  " and name "HB2 "))
      6.000     6.000     1.000 peak   737 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.976 ppm2      2.220
 ASSI {  739}
   (( segid "    " and resid "21  " and name "HB3 "))
   (( segid "    " and resid "21  " and name "HG2 "))
      6.000     6.000     1.000 peak   739 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.976 ppm2      2.428
 ASSI {  740}
   (( segid "    " and resid "21  " and name "HB3 "))
   (( segid "    " and resid "21  " and name "HG3 "))
      6.000     6.000     1.000 peak   740 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.976 ppm2      2.322
 ASSI {  748}
   (( segid "    " and resid "21  " and name "HG3 "))
   (( segid "    " and resid "21  " and name "HA  "))
      6.000     6.000     1.000 peak   748 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.322 ppm2      3.974
 ASSI {  751}
   (( segid "    " and resid "21  " and name "HG3 "))
   (( segid "    " and resid "21  " and name "HG2 "))
      6.000     6.000     1.000 peak   751 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.322 ppm2      2.428
 ASSI {  775}
   (( segid "    " and resid "22  " and name "HB2 "))
   (( segid "    " and resid "22  " and name "HD3 "))
      6.000     6.000     1.000 peak   775 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.297 ppm2      1.376
 OR {  775}
   (( segid "    " and resid "22  " and name "HB2 "))
   (( segid "    " and resid "22  " and name "HD2 "))
 ASSI {  776}
   (( segid "    " and resid "22  " and name "HB2 "))
   (( segid "    " and resid "22  " and name "HE3 "))
      6.000     6.000     1.000 peak   776 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.297 ppm2      2.696
 OR {  776}
   (( segid "    " and resid "22  " and name "HB2 "))
   (( segid "    " and resid "22  " and name "HE2 "))
 ASSI {  779}
   (( segid "    " and resid "22  " and name "HB3 "))
   (( segid "    " and resid "22  " and name "HB2 "))
      6.000     6.000     1.000 peak   779 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.094 ppm2      1.297
 ASSI {  783}
   (( segid "    " and resid "22  " and name "HB3 "))
   (( segid "    " and resid "22  " and name "HD3 "))
      6.000     6.000     1.000 peak   783 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.094 ppm2      1.376
 OR {  783}
   (( segid "    " and resid "22  " and name "HB3 "))
   (( segid "    " and resid "22  " and name "HD2 "))
 ASSI {  795}
   (( segid "    " and resid "22  " and name "HG3 "))
   (( segid "    " and resid "22  " and name "HB2 "))
      6.000     6.000     1.000 peak   795 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.581 ppm2      1.297
 ASSI {  808}
   (( segid "    " and resid "22  " and name "HD2 "))
   (( segid "    " and resid "22  " and name "HE2 "))
      6.000     6.000     1.000 peak   808 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.376 ppm2      2.696
 OR {  808}
   (( segid "    " and resid "22  " and name "HD3 "))
   (( segid "    " and resid "22  " and name "HE2 "))
 OR {  808}
   (( segid "    " and resid "22  " and name "HD3 "))
   (( segid "    " and resid "22  " and name "HE3 "))
 OR {  808}
   (( segid "    " and resid "22  " and name "HD2 "))
   (( segid "    " and resid "22  " and name "HE3 "))
 ASSI {  880}
   (( segid "    " and resid "24  " and name "HB3 "))
   (( segid "    " and resid "24  " and name "HB2 "))
      6.000     6.000     1.000 peak   880 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.941 ppm2      4.071
 ASSI {  896}
   (( segid "    " and resid "25  " and name "HB3 "))
   (( segid "    " and resid "25  " and name "HB2 "))
      6.000     6.000     1.000 peak   896 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.975 ppm2      4.316
 ASSI {  915}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "26  " and name "HB2 "))
      6.000     6.000     1.000 peak   915 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.933 ppm2      2.086
 ASSI {  946}
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "28  " and name "HG2 "))
      6.000     6.000     1.000 peak   946 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.489 ppm2      2.596
 OR {  946}
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "28  " and name "HG3 "))
 ASSI {  948}
   (( segid "    " and resid "28  " and name "HB3 "))
   (( segid "    " and resid "28  " and name "HA  "))
      6.000     6.000     1.000 peak   948 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.405 ppm2      4.187
 ASSI {  949}
   (( segid "    " and resid "28  " and name "HB3 "))
   (( segid "    " and resid "28  " and name "HB2 "))
      6.000     6.000     1.000 peak   949 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.405 ppm2      2.489
 ASSI {  951}
   (( segid "    " and resid "28  " and name "HB3 "))
   (( segid "    " and resid "28  " and name "HG3 "))
      6.000     6.000     1.000 peak   951 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.405 ppm2      2.596
 OR {  951}
   (( segid "    " and resid "28  " and name "HB3 "))
   (( segid "    " and resid "28  " and name "HG2 "))
 ASSI {  970}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "29  " and name "HA  "))
      6.000     6.000     1.000 peak   970 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.959 ppm2      3.150
 ASSI {  979}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "29  " and name "HG12"))
      6.000     6.000     1.000 peak   979 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.519 ppm2      0.702
 OR {  979}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "29  " and name "HG13"))
 ASSI {  983}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "29  " and name "HB  "))
      6.000     6.000     1.000 peak   983 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.702 ppm2      1.959
 OR {  983}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "29  " and name "HB  "))
 ASSI {  990}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
      6.000     6.000     1.000 peak   990 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.416 ppm2      0.519
 ASSI {  991}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "29  " and name "HG12"))
      6.000     6.000     1.000 peak   991 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.416 ppm2      0.702
 OR {  991}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "29  " and name "HG13"))
 ASSI { 1004}
   (( segid "    " and resid "30  " and name "HB  "))
   (( segid "    " and resid "30  " and name "HA  "))
      6.000     6.000     1.000 peak  1004 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.232 ppm2      3.211
 ASSI { 1025}
   (( segid "    " and resid "31  " and name "HB2 ")
     OR 
    ( segid "    " and resid "31  " and name "HB3 ")
     OR 
    ( segid "    " and resid "31  " and name "HB1 "))
   (( segid "    " and resid "31  " and name "HA  "))
      6.000     6.000     1.000 peak  1025 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.496 ppm2      4.161
 ASSI { 1034}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "32  " and name "HA  "))
      6.000     6.000     1.000 peak  1034 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.394 ppm2      4.234
 ASSI { 1054}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
      6.000     6.000     1.000 peak  1054 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.580 ppm2      0.674
 ASSI { 1056}
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
   (( segid "    " and resid "33  " and name "HB3 "))
      6.000     6.000     1.000 peak  1056 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.580 ppm2      1.269
 ASSI { 1062}
   (( segid "    " and resid "33  " and name "HG  "))
   (( segid "    " and resid "33  " and name "HB2 "))
      6.000     6.000     1.000 peak  1062 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.741 ppm2      2.025
 ASSI { 1102}
   (( segid "    " and resid "34  " and name "HB2 "))
   (( segid "    " and resid "34  " and name "HA  "))
      6.000     6.000     1.000 peak  1102 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.330 ppm2      4.141
 ASSI { 1111}
   (( segid "    " and resid "34  " and name "HB3 "))
   (( segid "    " and resid "34  " and name "HB2 "))
      6.000     6.000     1.000 peak  1111 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.040 ppm2      2.330
 ASSI { 1113}
   (( segid "    " and resid "34  " and name "HB3 "))
   (( segid "    " and resid "34  " and name "HG2 "))
      6.000     6.000     1.000 peak  1113 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.040 ppm2      2.611
 ASSI { 1118}
   (( segid "    " and resid "34  " and name "HG2 "))
   (( segid "    " and resid "34  " and name "HA  "))
      6.000     6.000     1.000 peak  1118 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.611 ppm2      4.141
 ASSI { 1126}
   (( segid "    " and resid "34  " and name "HG3 "))
   (( segid "    " and resid "34  " and name "HA  "))
      6.000     6.000     1.000 peak  1126 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.495 ppm2      4.141
 ASSI { 1129}
   (( segid "    " and resid "34  " and name "HG3 "))
   (( segid "    " and resid "34  " and name "HG2 "))
      6.000     6.000     1.000 peak  1129 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.495 ppm2      2.611
 ASSI { 1162}
   (( segid "    " and resid "35  " and name "HB2 "))
   (( segid "    " and resid "35  " and name "HA  "))
      6.000     6.000     1.000 peak  1162 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2      4.111
 ASSI { 1165}
   (( segid "    " and resid "35  " and name "HB2 "))
   (( segid "    " and resid "35  " and name "HG2 "))
      6.000     6.000     1.000 peak  1165 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2      2.494
 ASSI { 1168}
   (( segid "    " and resid "35  " and name "HB3 "))
   (( segid "    " and resid "35  " and name "HA  "))
      6.000     6.000     1.000 peak  1168 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.240 ppm2      4.111
 ASSI { 1171}
   (( segid "    " and resid "35  " and name "HB3 "))
   (( segid "    " and resid "35  " and name "HG2 "))
      6.000     6.000     1.000 peak  1171 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.240 ppm2      2.494
 ASSI { 1172}
   (( segid "    " and resid "35  " and name "HB3 "))
   (( segid "    " and resid "35  " and name "HG3 "))
      6.000     6.000     1.000 peak  1172 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.240 ppm2      2.431
 ASSI { 1174}
   (( segid "    " and resid "35  " and name "HG2 "))
   (( segid "    " and resid "35  " and name "HA  "))
      6.000     6.000     1.000 peak  1174 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.494 ppm2      4.111
 ASSI { 1183}
   (( segid "    " and resid "35  " and name "HG3 "))
   (( segid "    " and resid "35  " and name "HG2 "))
      6.000     6.000     1.000 peak  1183 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.431 ppm2      2.494
 ASSI { 1203}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HG3 "))
      6.000     6.000     1.000 peak  1203 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.472 ppm2      2.804
 OR { 1203}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HG2 "))
 ASSI { 1208}
   (( segid "    " and resid "36  " and name "HB3 "))
   (( segid "    " and resid "36  " and name "HB2 "))
      6.000     6.000     1.000 peak  1208 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.236 ppm2      2.472
 ASSI { 1370}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "41  " and name "HG13"))
      6.000     6.000     1.000 peak  1370 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.926 ppm2      1.165
 ASSI { 1373}
   (( segid "    " and resid "41  " and name "HG12"))
   (( segid "    " and resid "41  " and name "HA  "))
      6.000     6.000     1.000 peak  1373 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.441 ppm2      4.143
 ASSI { 1383}
   (( segid "    " and resid "41  " and name "HG13"))
   (( segid "    " and resid "41  " and name "HG12"))
      6.000     6.000     1.000 peak  1383 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.165 ppm2      1.441
 ASSI { 1389}
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
      6.000     6.000     1.000 peak  1389 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.725 ppm2      0.926
 ASSI { 1413}
   (( segid "    " and resid "42  " and name "HB3 "))
   (( segid "    " and resid "42  " and name "HB2 "))
      6.000     6.000     1.000 peak  1413 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.020 ppm2      3.215
 ASSI { 1450}
   (( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "43  " and name "HG3 "))
      6.000     6.000     1.000 peak  1450 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      2.290
 ASSI { 1455}
   (( segid "    " and resid "43  " and name "HB3 "))
   (( segid "    " and resid "43  " and name "HB2 "))
      6.000     6.000     1.000 peak  1455 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.080 ppm2      2.154
 ASSI { 1457}
   (( segid "    " and resid "43  " and name "HB3 "))
   (( segid "    " and resid "43  " and name "HG2 "))
      6.000     6.000     1.000 peak  1457 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.080 ppm2      2.419
 ASSI { 1458}
   (( segid "    " and resid "43  " and name "HB3 "))
   (( segid "    " and resid "43  " and name "HG3 "))
      6.000     6.000     1.000 peak  1458 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.080 ppm2      2.290
 ASSI { 1473}
   (( segid "    " and resid "43  " and name "HG3 "))
   (( segid "    " and resid "43  " and name "HG2 "))
      6.000     6.000     1.000 peak  1473 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.290 ppm2      2.419
 ASSI { 1535}
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "45  " and name "HD3 "))
      6.000     6.000     1.000 peak  1535 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.591 ppm2      1.682
 OR { 1535}
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "45  " and name "HD2 "))
 ASSI { 1536}
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "45  " and name "HE2 "))
      6.000     6.000     1.000 peak  1536 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.591 ppm2      2.974
 ASSI { 1540}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "45  " and name "HG2 "))
      6.000     6.000     1.000 peak  1540 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.405 ppm2      1.591
 ASSI { 1542}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "45  " and name "HD2 "))
      6.000     6.000     1.000 peak  1542 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.405 ppm2      1.682
 OR { 1542}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "45  " and name "HD3 "))
 ASSI { 1546}
   (( segid "    " and resid "45  " and name "HD3 "))
   (( segid "    " and resid "45  " and name "HB3 "))
      6.000     6.000     1.000 peak  1546 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.682 ppm2      1.829
 OR { 1546}
   (( segid "    " and resid "45  " and name "HD3 "))
   (( segid "    " and resid "45  " and name "HB2 "))
 OR { 1546}
   (( segid "    " and resid "45  " and name "HD2 "))
   (( segid "    " and resid "45  " and name "HB2 "))
 ASSI { 1569}
   (( segid "    " and resid "46  " and name "HB  "))
   (( segid "    " and resid "46  " and name "HA  "))
      6.000     6.000     1.000 peak  1569 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.056 ppm2      3.435
 ASSI { 1572}
   (( segid "    " and resid "46  " and name "HB  "))
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
      6.000     6.000     1.000 peak  1572 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.056 ppm2      0.903
 ASSI { 1574}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "46  " and name "HA  "))
      6.000     6.000     1.000 peak  1574 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.950 ppm2      3.435
 ASSI { 1579}
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
   (( segid "    " and resid "46  " and name "HA  "))
      6.000     6.000     1.000 peak  1579 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.903 ppm2      3.435
 ASSI { 1617}
   (( segid "    " and resid "48  " and name "HB2 "))
   (( segid "    " and resid "48  " and name "HD3 "))
      6.000     6.000     1.000 peak  1617 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.931 ppm2      3.168
 ASSI { 1621}
   (( segid "    " and resid "48  " and name "HB3 "))
   (( segid "    " and resid "48  " and name "HB2 "))
      6.000     6.000     1.000 peak  1621 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.856 ppm2      1.931
 ASSI { 1625}
   (( segid "    " and resid "48  " and name "HB3 "))
   (( segid "    " and resid "48  " and name "HD2 "))
      6.000     6.000     1.000 peak  1625 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.856 ppm2      3.207
 ASSI { 1626}
   (( segid "    " and resid "48  " and name "HB3 "))
   (( segid "    " and resid "48  " and name "HD3 "))
      6.000     6.000     1.000 peak  1626 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.856 ppm2      3.168
 ASSI { 1630}
   (( segid "    " and resid "48  " and name "HG2 "))
   (( segid "    " and resid "48  " and name "HB2 "))
      6.000     6.000     1.000 peak  1630 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      1.931
 ASSI { 1631}
   (( segid "    " and resid "48  " and name "HG2 "))
   (( segid "    " and resid "48  " and name "HB3 "))
      6.000     6.000     1.000 peak  1631 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      1.856
 ASSI { 1634}
   (( segid "    " and resid "48  " and name "HG2 "))
   (( segid "    " and resid "48  " and name "HD2 "))
      6.000     6.000     1.000 peak  1634 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      3.207
 ASSI { 1639}
   (( segid "    " and resid "48  " and name "HG3 "))
   (( segid "    " and resid "48  " and name "HB2 "))
      6.000     6.000     1.000 peak  1639 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.649 ppm2      1.931
 ASSI { 1640}
   (( segid "    " and resid "48  " and name "HG3 "))
   (( segid "    " and resid "48  " and name "HB3 "))
      6.000     6.000     1.000 peak  1640 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.649 ppm2      1.856
 ASSI { 1641}
   (( segid "    " and resid "48  " and name "HG3 "))
   (( segid "    " and resid "48  " and name "HG2 "))
      6.000     6.000     1.000 peak  1641 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.649 ppm2      1.794
 ASSI { 1644}
   (( segid "    " and resid "48  " and name "HG3 "))
   (( segid "    " and resid "48  " and name "HD3 "))
      6.000     6.000     1.000 peak  1644 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.649 ppm2      3.168
 ASSI { 1690}
   (( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "49  " and name "HG3 "))
      6.000     6.000     1.000 peak  1690 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.475 ppm2      2.052
 ASSI { 1693}
   (( segid "    " and resid "49  " and name "HB3 "))
   (( segid "    " and resid "49  " and name "HB2 "))
      6.000     6.000     1.000 peak  1693 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.057 ppm2      1.475
 ASSI { 1707}
   (( segid "    " and resid "49  " and name "HG3 "))
   (( segid "    " and resid "49  " and name "HG2 "))
      6.000     6.000     1.000 peak  1707 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.052 ppm2      2.570
 ASSI { 1734}
   (( segid "    " and resid "50  " and name "HG  "))
   (( segid "    " and resid "50  " and name "HA  "))
      6.000     6.000     1.000 peak  1734 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.890 ppm2      4.024
 ASSI { 1735}
   (( segid "    " and resid "50  " and name "HG  "))
   (( segid "    " and resid "50  " and name "HB2 "))
      6.000     6.000     1.000 peak  1735 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.890 ppm2      2.162
 ASSI { 1740}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "50  " and name "HA  "))
      6.000     6.000     1.000 peak  1740 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.452 ppm2      4.024
 ASSI { 1741}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "50  " and name "HB2 "))
      6.000     6.000     1.000 peak  1741 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.452 ppm2      2.162
 OR { 1741}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "50  " and name "HB2 "))
 ASSI { 1743}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "50  " and name "HG  "))
      6.000     6.000     1.000 peak  1743 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.452 ppm2      1.890
 OR { 1743}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "50  " and name "HG  "))
 ASSI { 1751}
   (( segid "    " and resid "51  " and name "HA  "))
   (( segid "    " and resid "51  " and name "HB  "))
      6.000     6.000     1.000 peak  1751 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.097 ppm2      4.169
 ASSI { 1780}
   (( segid "    " and resid "52  " and name "HB2 "))
   (( segid "    " and resid "52  " and name "HA  "))
      6.000     6.000     1.000 peak  1780 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.718 ppm2      3.884
 ASSI { 1789}
   (( segid "    " and resid "52  " and name "HB3 "))
   (( segid "    " and resid "52  " and name "HA  "))
      6.000     6.000     1.000 peak  1789 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.516 ppm2      3.884
 ASSI { 1790}
   (( segid "    " and resid "52  " and name "HB3 "))
   (( segid "    " and resid "52  " and name "HB2 "))
      6.000     6.000     1.000 peak  1790 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.516 ppm2      1.718
 ASSI { 1800}
   (( segid "    " and resid "52  " and name "HG2 "))
   (( segid "    " and resid "52  " and name "HB3 "))
      6.000     6.000     1.000 peak  1800 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.007 ppm2      1.516
 ASSI { 1803}
   (( segid "    " and resid "52  " and name "HG2 "))
   (( segid "    " and resid "52  " and name "HD2 "))
      6.000     6.000     1.000 peak  1803 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.007 ppm2      1.421
 ASSI { 1810}
   (( segid "    " and resid "52  " and name "HG3 "))
   (( segid "    " and resid "52  " and name "HG2 "))
      6.000     6.000     1.000 peak  1810 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.710 ppm2      1.007
 ASSI { 1812}
   (( segid "    " and resid "52  " and name "HG3 "))
   (( segid "    " and resid "52  " and name "HD2 "))
      6.000     6.000     1.000 peak  1812 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.710 ppm2      1.421
 ASSI { 1814}
   (( segid "    " and resid "52  " and name "HG3 "))
   (( segid "    " and resid "52  " and name "HE3 "))
      6.000     6.000     1.000 peak  1814 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.710 ppm2      2.697
 ASSI { 1816}
   (( segid "    " and resid "52  " and name "HD2 "))
   (( segid "    " and resid "52  " and name "HA  "))
      6.000     6.000     1.000 peak  1816 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.421 ppm2      3.884
 ASSI { 1817}
   (( segid "    " and resid "52  " and name "HD2 "))
   (( segid "    " and resid "52  " and name "HB2 "))
      6.000     6.000     1.000 peak  1817 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.421 ppm2      1.718
 ASSI { 1823}
   (( segid "    " and resid "52  " and name "HD2 "))
   (( segid "    " and resid "52  " and name "HE3 "))
      6.000     6.000     1.000 peak  1823 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.421 ppm2      2.697
 ASSI { 1832}
   (( segid "    " and resid "52  " and name "HD3 "))
   (( segid "    " and resid "52  " and name "HE3 "))
      6.000     6.000     1.000 peak  1832 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.255 ppm2      2.697
 ASSI { 1834}
   (( segid "    " and resid "52  " and name "HE3 "))
   (( segid "    " and resid "52  " and name "HA  "))
      6.000     6.000     1.000 peak  1834 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.697 ppm2      3.884
 ASSI { 1898}
   (( segid "    " and resid "54  " and name "HA2 "))
   (( segid "    " and resid "54  " and name "HA1 "))
      6.000     6.000     1.000 peak  1898 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.922 ppm2      4.101
 ASSI { 1932}
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
      6.000     6.000     1.000 peak  1932 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.766 ppm2      0.978
 ASSI { 1960}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "57  " and name "HD2 "))
      6.000     6.000     1.000 peak  1960 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.378 ppm2      2.789
 ASSI { 1961}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "57  " and name "HD3 "))
      6.000     6.000     1.000 peak  1961 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.378 ppm2      2.677
 ASSI { 1970}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "57  " and name "HD2 "))
      6.000     6.000     1.000 peak  1970 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.341 ppm2      2.789
 ASSI { 1971}
   (( segid "    " and resid "57  " and name "HB3 "))
   (( segid "    " and resid "57  " and name "HD3 "))
      6.000     6.000     1.000 peak  1971 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.341 ppm2      2.677
 ASSI { 1988}
   (( segid "    " and resid "57  " and name "HG3 "))
   (( segid "    " and resid "57  " and name "HG2 "))
      6.000     6.000     1.000 peak  1988 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.706 ppm2      1.055
 ASSI { 1991}
   (( segid "    " and resid "57  " and name "HG3 "))
   (( segid "    " and resid "57  " and name "HD3 "))
      6.000     6.000     1.000 peak  1991 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.706 ppm2      2.677
 ASSI { 2043}
   (( segid "    " and resid "58  " and name "HB  "))
   (( segid "    " and resid "58  " and name "HA  "))
      6.000     6.000     1.000 peak  2043 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.954 ppm2      4.498
 ASSI { 2069}
   (( segid "    " and resid "59  " and name "HB2 "))
   (( segid "    " and resid "59  " and name "HD2 "))
      6.000     6.000     1.000 peak  2069 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.710 ppm2      3.043
 OR { 2069}
   (( segid "    " and resid "59  " and name "HB2 "))
   (( segid "    " and resid "59  " and name "HD3 "))
 ASSI { 2076}
   (( segid "    " and resid "59  " and name "HB3 "))
   (( segid "    " and resid "59  " and name "HD2 "))
      6.000     6.000     1.000 peak  2076 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.760 ppm2      3.043
 OR { 2076}
   (( segid "    " and resid "59  " and name "HB3 "))
   (( segid "    " and resid "59  " and name "HD3 "))
 ASSI { 2080}
   (( segid "    " and resid "59  " and name "HG3 "))
   (( segid "    " and resid "59  " and name "HB2 "))
      6.000     6.000     1.000 peak  2080 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.586 ppm2      1.710
 OR { 2080}
   (( segid "    " and resid "59  " and name "HG2 "))
   (( segid "    " and resid "59  " and name "HB2 "))
 ASSI { 2081}
   (( segid "    " and resid "59  " and name "HG2 "))
   (( segid "    " and resid "59  " and name "HB3 "))
      6.000     6.000     1.000 peak  2081 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.586 ppm2      1.760
 OR { 2081}
   (( segid "    " and resid "59  " and name "HG3 "))
   (( segid "    " and resid "59  " and name "HB3 "))
 ASSI { 2083}
   (( segid "    " and resid "59  " and name "HG3 "))
   (( segid "    " and resid "59  " and name "HD3 "))
      6.000     6.000     1.000 peak  2083 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.586 ppm2      3.043
 OR { 2083}
   (( segid "    " and resid "59  " and name "HG2 "))
   (( segid "    " and resid "59  " and name "HD2 "))
 OR { 2083}
   (( segid "    " and resid "59  " and name "HG3 "))
   (( segid "    " and resid "59  " and name "HD2 "))
 ASSI { 2142}
   (( segid "    " and resid "61  " and name "HB2 ")
     OR 
    ( segid "    " and resid "61  " and name "HB3 ")
     OR 
    ( segid "    " and resid "61  " and name "HB1 "))
   (( segid "    " and resid "61  " and name "HA  "))
      6.000     6.000     1.000 peak  2142 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.479 ppm2      4.169
 ASSI { 2159}
   (( segid "    " and resid "62  " and name "HB2 "))
   (( segid "    " and resid "62  " and name "HA  "))
      6.000     6.000     1.000 peak  2159 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.055 ppm2      4.332
 ASSI { 2164}
   (( segid "    " and resid "62  " and name "HB2 "))
   (( segid "    " and resid "62  " and name "HE2 "))
      6.000     6.000     1.000 peak  2164 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.055 ppm2      2.950
 OR { 2164}
   (( segid "    " and resid "62  " and name "HB2 "))
   (( segid "    " and resid "62  " and name "HE3 "))
 ASSI { 2167}
   (( segid "    " and resid "62  " and name "HB3 "))
   (( segid "    " and resid "62  " and name "HB2 "))
      6.000     6.000     1.000 peak  2167 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.651 ppm2      2.055
 ASSI { 2171}
   (( segid "    " and resid "62  " and name "HB3 "))
   (( segid "    " and resid "62  " and name "HE2 "))
      6.000     6.000     1.000 peak  2171 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.651 ppm2      2.950
 OR { 2171}
   (( segid "    " and resid "62  " and name "HB3 "))
   (( segid "    " and resid "62  " and name "HE3 "))
 ASSI { 2174}
   (( segid "    " and resid "62  " and name "HG3 "))
   (( segid "    " and resid "62  " and name "HB2 "))
      6.000     6.000     1.000 peak  2174 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.444 ppm2      2.055
 OR { 2174}
   (( segid "    " and resid "62  " and name "HG2 "))
   (( segid "    " and resid "62  " and name "HB2 "))
 ASSI { 2175}
   (( segid "    " and resid "62  " and name "HG3 "))
   (( segid "    " and resid "62  " and name "HB3 "))
      6.000     6.000     1.000 peak  2175 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.444 ppm2      1.651
 OR { 2175}
   (( segid "    " and resid "62  " and name "HG2 "))
   (( segid "    " and resid "62  " and name "HB3 "))
 ASSI { 2178}
   (( segid "    " and resid "62  " and name "HG2 "))
   (( segid "    " and resid "62  " and name "HE2 "))
      6.000     6.000     1.000 peak  2178 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.444 ppm2      2.950
 OR { 2178}
   (( segid "    " and resid "62  " and name "HG3 "))
   (( segid "    " and resid "62  " and name "HE3 "))
 OR { 2178}
   (( segid "    " and resid "62  " and name "HG3 "))
   (( segid "    " and resid "62  " and name "HE2 "))
 ASSI { 2180}
   (( segid "    " and resid "62  " and name "HD3 "))
   (( segid "    " and resid "62  " and name "HA  "))
      6.000     6.000     1.000 peak  2180 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.399 ppm2      4.332
 OR { 2180}
   (( segid "    " and resid "62  " and name "HD2 "))
   (( segid "    " and resid "62  " and name "HA  "))
 ASSI { 2182}
   (( segid "    " and resid "62  " and name "HD2 "))
   (( segid "    " and resid "62  " and name "HB3 "))
      6.000     6.000     1.000 peak  2182 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.399 ppm2      1.651
 OR { 2182}
   (( segid "    " and resid "62  " and name "HD3 "))
   (( segid "    " and resid "62  " and name "HB3 "))
 ASSI { 2185}
   (( segid "    " and resid "62  " and name "HD3 "))
   (( segid "    " and resid "62  " and name "HE2 "))
      6.000     6.000     1.000 peak  2185 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.399 ppm2      2.950
 OR { 2185}
   (( segid "    " and resid "62  " and name "HD3 "))
   (( segid "    " and resid "62  " and name "HE3 "))
 OR { 2185}
   (( segid "    " and resid "62  " and name "HD2 "))
   (( segid "    " and resid "62  " and name "HE3 "))
 OR { 2185}
   (( segid "    " and resid "62  " and name "HD2 "))
   (( segid "    " and resid "62  " and name "HE2 "))
 ASSI { 2212}
   (( segid "    " and resid "63  " and name "HB3 "))
   (( segid "    " and resid "63  " and name "HA  "))
      6.000     6.000     1.000 peak  2212 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.233 ppm2      3.964
 ASSI { 2213}
   (( segid "    " and resid "63  " and name "HB3 "))
   (( segid "    " and resid "63  " and name "HB2 "))
      6.000     6.000     1.000 peak  2213 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.233 ppm2      2.513
 ASSI { 2216}
   (( segid "    " and resid "63  " and name "HB3 "))
   (( segid "    " and resid "63  " and name "HG3 "))
      6.000     6.000     1.000 peak  2216 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.233 ppm2      2.347
 ASSI { 2224}
   (( segid "    " and resid "63  " and name "HG3 "))
   (( segid "    " and resid "63  " and name "HA  "))
      6.000     6.000     1.000 peak  2224 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.347 ppm2      3.964
 ASSI { 2225}
   (( segid "    " and resid "63  " and name "HG3 "))
   (( segid "    " and resid "63  " and name "HB2 "))
      6.000     6.000     1.000 peak  2225 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.347 ppm2      2.513
 ASSI { 2242}
   (( segid "    " and resid "64  " and name "HB2 "))
   (( segid "    " and resid "64  " and name "HA  "))
      6.000     6.000     1.000 peak  2242 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      4.341
 ASSI { 2245}
   (( segid "    " and resid "64  " and name "HB2 "))
   (( segid "    " and resid "64  " and name "HG2 "))
      6.000     6.000     1.000 peak  2245 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      2.162
 ASSI { 2246}
   (( segid "    " and resid "64  " and name "HB2 "))
   (( segid "    " and resid "64  " and name "HG3 "))
      6.000     6.000     1.000 peak  2246 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      2.114
 ASSI { 2248}
   (( segid "    " and resid "64  " and name "HB3 "))
   (( segid "    " and resid "64  " and name "HA  "))
      6.000     6.000     1.000 peak  2248 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.746 ppm2      4.341
 ASSI { 2249}
   (( segid "    " and resid "64  " and name "HB3 "))
   (( segid "    " and resid "64  " and name "HB2 "))
      6.000     6.000     1.000 peak  2249 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.746 ppm2      1.862
 ASSI { 2251}
   (( segid "    " and resid "64  " and name "HB3 "))
   (( segid "    " and resid "64  " and name "HG2 "))
      6.000     6.000     1.000 peak  2251 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.746 ppm2      2.162
 ASSI { 2252}
   (( segid "    " and resid "64  " and name "HB3 "))
   (( segid "    " and resid "64  " and name "HG3 "))
      6.000     6.000     1.000 peak  2252 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.746 ppm2      2.114
 ASSI { 2254}
   (( segid "    " and resid "64  " and name "HG2 "))
   (( segid "    " and resid "64  " and name "HA  "))
      6.000     6.000     1.000 peak  2254 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.162 ppm2      4.341
 ASSI { 2260}
   (( segid "    " and resid "64  " and name "HG3 "))
   (( segid "    " and resid "64  " and name "HA  "))
      6.000     6.000     1.000 peak  2260 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.114 ppm2      4.341
 ASSI { 2281}
   (( segid "    " and resid "65  " and name "HB2 "))
   (( segid "    " and resid "65  " and name "HG2 "))
      6.000     6.000     1.000 peak  2281 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.922 ppm2      2.410
 ASSI { 2282}
   (( segid "    " and resid "65  " and name "HB2 "))
   (( segid "    " and resid "65  " and name "HG3 "))
      6.000     6.000     1.000 peak  2282 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.922 ppm2      2.370
 ASSI { 2285}
   (( segid "    " and resid "65  " and name "HB3 "))
   (( segid "    " and resid "65  " and name "HB2 "))
      6.000     6.000     1.000 peak  2285 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.590 ppm2      1.922
 ASSI { 2323}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "66  " and name "HB  "))
      6.000     6.000     1.000 peak  2323 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.466 ppm2      1.828
 ASSI { 2324}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
      6.000     6.000     1.000 peak  2324 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.466 ppm2      0.648
 ASSI { 2346}
   (( segid "    " and resid "67  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HB2 "))
      6.000     6.000     1.000 peak  2346 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.622 ppm2      2.687
 ASSI { 2391}
   (( segid "    " and resid "69  " and name "HB2 "))
   (( segid "    " and resid "69  " and name "HG  "))
      6.000     6.000     1.000 peak  2391 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.554 ppm2      1.683
 OR { 2391}
   (( segid "    " and resid "69  " and name "HB3 "))
   (( segid "    " and resid "69  " and name "HG  "))
 ASSI { 2401}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "69  " and name "HG  "))
      6.000     6.000     1.000 peak  2401 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      1.683
 OR { 2401}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "69  " and name "HG  "))
 ASSI { 2418}
   (( segid "    " and resid "70  " and name "HB3 "))
   (( segid "    " and resid "70  " and name "HB2 "))
      6.000     6.000     1.000 peak  2418 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.024 ppm2      2.350
 ASSI { 2420}
   (( segid "    " and resid "70  " and name "HB3 "))
   (( segid "    " and resid "70  " and name "HG2 "))
      6.000     6.000     1.000 peak  2420 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.024 ppm2      2.190
 ASSI { 2421}
   (( segid "    " and resid "70  " and name "HB3 "))
   (( segid "    " and resid "70  " and name "HG3 "))
      6.000     6.000     1.000 peak  2421 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.024 ppm2      2.122
 ASSI { 2432}
   (( segid "    " and resid "70  " and name "HG3 "))
   (( segid "    " and resid "70  " and name "HB2 "))
      6.000     6.000     1.000 peak  2432 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.122 ppm2      2.350
 ASSI { 2434}
   (( segid "    " and resid "70  " and name "HG3 "))
   (( segid "    " and resid "70  " and name "HG2 "))
      6.000     6.000     1.000 peak  2434 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.122 ppm2      2.190
 ASSI { 2450}
   (( segid "    " and resid "70  " and name "HD3 "))
   (( segid "    " and resid "70  " and name "HD2 "))
      6.000     6.000     1.000 peak  2450 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.768 ppm2      3.846
 ASSI { 2459}
   (( segid "    " and resid "71  " and name "HB2 ")
     OR 
    ( segid "    " and resid "71  " and name "HB3 ")
     OR 
    ( segid "    " and resid "71  " and name "HB1 "))
   (( segid "    " and resid "71  " and name "HA  "))
      6.000     6.000     1.000 peak  2459 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.393 ppm2      4.240
 ASSI { 2472}
   (( segid "    " and resid "72  " and name "HB2 "))
   (( segid "    " and resid "72  " and name "HA  "))
      6.000     6.000     1.000 peak  2472 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.058 ppm2      4.320
 ASSI { 2475}
   (( segid "    " and resid "72  " and name "HB2 "))
   (( segid "    " and resid "72  " and name "HG2 "))
      6.000     6.000     1.000 peak  2475 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.058 ppm2      2.293
 OR { 2475}
   (( segid "    " and resid "72  " and name "HB2 "))
   (( segid "    " and resid "72  " and name "HG3 "))
 ASSI { 2477}
   (( segid "    " and resid "72  " and name "HB3 "))
   (( segid "    " and resid "72  " and name "HA  "))
      6.000     6.000     1.000 peak  2477 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.942 ppm2      4.320
 ASSI { 2478}
   (( segid "    " and resid "72  " and name "HB3 "))
   (( segid "    " and resid "72  " and name "HB2 "))
      6.000     6.000     1.000 peak  2478 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.942 ppm2      2.058
 ASSI { 2480}
   (( segid "    " and resid "72  " and name "HB3 "))
   (( segid "    " and resid "72  " and name "HG3 "))
      6.000     6.000     1.000 peak  2480 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.942 ppm2      2.293
 OR { 2480}
   (( segid "    " and resid "72  " and name "HB3 "))
   (( segid "    " and resid "72  " and name "HG2 "))
 ASSI { 2482}
   (( segid "    " and resid "72  " and name "HG3 "))
   (( segid "    " and resid "72  " and name "HA  "))
      6.000     6.000     1.000 peak  2482 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.293 ppm2      4.320
 OR { 2482}
   (( segid "    " and resid "72  " and name "HG2 "))
   (( segid "    " and resid "72  " and name "HA  "))
 ASSI { 2508}
   (( segid "    " and resid "73  " and name "HB3 "))
   (( segid "    " and resid "73  " and name "HA  "))
      6.000     6.000     1.000 peak  2508 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.633 ppm2      4.379
 ASSI { 2509}
   (( segid "    " and resid "73  " and name "HB3 "))
   (( segid "    " and resid "73  " and name "HB2 "))
      6.000     6.000     1.000 peak  2509 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.633 ppm2      1.700
 ASSI { 2523}
   (( segid "    " and resid "73  " and name "HD12")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD11"))
   (( segid "    " and resid "73  " and name "HB2 "))
      6.000     6.000     1.000 peak  2523 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.956 ppm2      1.700
 ASSI { 2524}
   (( segid "    " and resid "73  " and name "HD12")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD11"))
   (( segid "    " and resid "73  " and name "HB3 "))
      6.000     6.000     1.000 peak  2524 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.956 ppm2      1.633
 ASSI { 2525}
   (( segid "    " and resid "73  " and name "HD12")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD11"))
   (( segid "    " and resid "73  " and name "HG  "))
      6.000     6.000     1.000 peak  2525 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.956 ppm2      1.681
 ASSI { 2530}
   (( segid "    " and resid "73  " and name "HD22")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD21"))
   (( segid "    " and resid "73  " and name "HB2 "))
      6.000     6.000     1.000 peak  2530 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.889 ppm2      1.700
 ASSI { 2532}
   (( segid "    " and resid "73  " and name "HD22")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD21"))
   (( segid "    " and resid "73  " and name "HG  "))
      6.000     6.000     1.000 peak  2532 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.889 ppm2      1.681
 ASSI { 2533}
   (( segid "    " and resid "73  " and name "HD22")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD21"))
   (( segid "    " and resid "73  " and name "HD12")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD11"))
      6.000     6.000     1.000 peak  2533 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.889 ppm2      0.956
 ASSI { 2542}
   (( segid "    " and resid "74  " and name "HA2 "))
   (( segid "    " and resid "74  " and name "HA1 "))
      6.000     6.000     1.000 peak  2542 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.917 ppm2      3.981
 ASSI { 2555}
   (( segid "    " and resid "75  " and name "HB  "))
   (( segid "    " and resid "75  " and name "HA  "))
      6.000     6.000     1.000 peak  2555 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.091 ppm2      4.456
 ASSI { 2558}
   (( segid "    " and resid "75  " and name "HB  "))
   (( segid "    " and resid "75  " and name "HG22")
     OR 
    ( segid "    " and resid "75  " and name "HG23")
     OR 
    ( segid "    " and resid "75  " and name "HG21"))
      6.000     6.000     1.000 peak  2558 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.091 ppm2      0.920
 ASSI { 2561}
   (( segid "    " and resid "75  " and name "HG12")
     OR 
    ( segid "    " and resid "75  " and name "HG13")
     OR 
    ( segid "    " and resid "75  " and name "HG11"))
   (( segid "    " and resid "75  " and name "HB  "))
      6.000     6.000     1.000 peak  2561 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.985 ppm2      2.091
 ASSI { 2567}
   (( segid "    " and resid "75  " and name "HG22")
     OR 
    ( segid "    " and resid "75  " and name "HG23")
     OR 
    ( segid "    " and resid "75  " and name "HG21"))
   (( segid "    " and resid "75  " and name "HG12")
     OR 
    ( segid "    " and resid "75  " and name "HG13")
     OR 
    ( segid "    " and resid "75  " and name "HG11"))
      6.000     6.000     1.000 peak  2567 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.920 ppm2      0.985
 ASSI { 2575}
   (( segid "    " and resid "76  " and name "HB2 "))
   (( segid "    " and resid "76  " and name "HA  "))
      6.000     6.000     1.000 peak  2575 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.327 ppm2      4.534
 ASSI { 2581}
   (( segid "    " and resid "76  " and name "HB3 "))
   (( segid "    " and resid "76  " and name "HA  "))
      6.000     6.000     1.000 peak  2581 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.957 ppm2      4.534
 ASSI { 2582}
   (( segid "    " and resid "76  " and name "HB3 "))
   (( segid "    " and resid "76  " and name "HB2 "))
      6.000     6.000     1.000 peak  2582 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.957 ppm2      2.327
 ASSI { 2584}
   (( segid "    " and resid "76  " and name "HB3 "))
   (( segid "    " and resid "76  " and name "HG3 "))
      6.000     6.000     1.000 peak  2584 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.957 ppm2      2.058
 OR { 2584}
   (( segid "    " and resid "76  " and name "HB3 "))
   (( segid "    " and resid "76  " and name "HG2 "))
 ASSI { 2585}
   (( segid "    " and resid "76  " and name "HB3 "))
   (( segid "    " and resid "76  " and name "HD2 "))
      6.000     6.000     1.000 peak  2585 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.957 ppm2      3.915
 ASSI { 2587}
   (( segid "    " and resid "76  " and name "HG3 "))
   (( segid "    " and resid "76  " and name "HA  "))
      6.000     6.000     1.000 peak  2587 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.058 ppm2      4.534
 OR { 2587}
   (( segid "    " and resid "76  " and name "HG2 "))
   (( segid "    " and resid "76  " and name "HA  "))
 ASSI { 2588}
   (( segid "    " and resid "76  " and name "HG2 "))
   (( segid "    " and resid "76  " and name "HB2 "))
      6.000     6.000     1.000 peak  2588 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.058 ppm2      2.327
 OR { 2588}
   (( segid "    " and resid "76  " and name "HG3 "))
   (( segid "    " and resid "76  " and name "HB2 "))
 ASSI { 2591}
   (( segid "    " and resid "76  " and name "HG2 "))
   (( segid "    " and resid "76  " and name "HD2 "))
      6.000     6.000     1.000 peak  2591 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.058 ppm2      3.915
 OR { 2591}
   (( segid "    " and resid "76  " and name "HG3 "))
   (( segid "    " and resid "76  " and name "HD2 "))
 ASSI { 2603}
   (( segid "    " and resid "76  " and name "HD3 "))
   (( segid "    " and resid "76  " and name "HD2 "))
      6.000     6.000     1.000 peak  2603 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.706 ppm2      3.915
 ASSI { 2614}
   (( segid "    " and resid "77  " and name "HB  "))
   (( segid "    " and resid "77  " and name "HA  "))
      6.000     6.000     1.000 peak  2614 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.291 ppm2      4.396
 ASSI { 2618}
   (( segid "    " and resid "77  " and name "HG21")
     OR 
    ( segid "    " and resid "77  " and name "HG23")
     OR 
    ( segid "    " and resid "77  " and name "HG22"))
   (( segid "    " and resid "77  " and name "HA  "))
      6.000     6.000     1.000 peak  2618 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.245 ppm2      4.396
 ASSI { 2619}
   (( segid "    " and resid "77  " and name "HG21")
     OR 
    ( segid "    " and resid "77  " and name "HG23")
     OR 
    ( segid "    " and resid "77  " and name "HG22"))
   (( segid "    " and resid "77  " and name "HB  "))
      6.000     6.000     1.000 peak  2619 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.245 ppm2      4.291
 ASSI { 2626}
   (( segid "    " and resid "78  " and name "HA  "))
   (( segid "    " and resid "78  " and name "HB  "))
      6.000     6.000     1.000 peak  2626 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.166 ppm2      4.238
 ASSI { 2985}
   (( segid "    " and resid "17  " and name "HG  "))
   (( segid "    " and resid "14  " and name "HA  "))
      6.000     6.000     1.000 peak  2985 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.036 ppm2      3.861
 ASSI { 3003}
   (( segid "    " and resid "31  " and name "HB2 ")
     OR 
    ( segid "    " and resid "31  " and name "HB3 ")
     OR 
    ( segid "    " and resid "31  " and name "HB1 "))
   (( segid "    " and resid "28  " and name "HA  "))
      6.000     6.000     1.000 peak  3003 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.497 ppm2      4.187
 ASSI { 3010}
   (( segid "    " and resid "34  " and name "HG2 "))
   (( segid "    " and resid "31  " and name "HA  "))
      6.000     6.000     1.000 peak  3010 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.614 ppm2      4.161
 ASSI { 3012}
   (( segid "    " and resid "34  " and name "HG3 "))
   (( segid "    " and resid "31  " and name "HA  "))
      6.000     6.000     1.000 peak  3012 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.491 ppm2      4.161
 ASSI { 3013}
   (( segid "    " and resid "35  " and name "HB3 "))
   (( segid "    " and resid "32  " and name "HA  "))
      6.000     6.000     1.000 peak  3013 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.242 ppm2      4.234
 ASSI { 3015}
   (( segid "    " and resid "35  " and name "HG2 "))
   (( segid "    " and resid "32  " and name "HA  "))
      6.000     6.000     1.000 peak  3015 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.493 ppm2      4.235
 ASSI { 3017}
   (( segid "    " and resid "36  " and name "HB3 "))
   (( segid "    " and resid "33  " and name "HA  "))
      6.000     6.000     1.000 peak  3017 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.236 ppm2      4.223
 ASSI { 3018}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "33  " and name "HA  "))
      6.000     6.000     1.000 peak  3018 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.472 ppm2      4.223
 ASSI { 3022}
   (( segid "    " and resid "47  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HA  "))
      6.000     6.000     1.000 peak  3022 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.082 ppm2      4.172
 OR { 3022}
   (( segid "    " and resid "47  " and name "HB3 "))
   (( segid "    " and resid "44  " and name "HA  "))
 ASSI { 3110}
   (( segid "    " and resid "70  " and name "HB3 "))
   (( segid "    " and resid "70  " and name "HD2 "))
      6.000     6.000     1.000 peak  3110 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      3.847
 ASSI { 3369}
   (( segid "    " and resid "19  " and name "HE3 "))
   (( segid "    " and resid "68  " and name "HA  "))
      6.100     4.700     0.900 peak  3369 weight  0.10000E+01 volume  0.10690E+03 ppm1      2.964 ppm2      5.191
 OR { 3369}
   (( segid "    " and resid "19  " and name "HE2 "))
   (( segid "    " and resid "68  " and name "HA  "))
 ASSI { 3370}
   (( segid "    " and resid "24  " and name "HA  "))
   (( segid "    " and resid "66  " and name "HA  "))
      2.700     0.900     0.900 peak  3370 weight  0.10000E+01 volume  0.14200E+05 ppm1      4.780 ppm2      4.587
 ASSI { 3373}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HE2 ")
     OR 
    ( segid "    " and resid "65  " and name "HE3 ")
     OR 
    ( segid "    " and resid "65  " and name "HE1 "))
      5.000     3.100     2.000 peak  3373 weight  0.10000E+01 volume  0.35410E+03 ppm1      4.717 ppm2      1.849
 ASSI { 3378}
   (( segid "    " and resid "17  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HZ  "))
      5.300     3.500     1.700 peak  3378 weight  0.10000E+01 volume  0.26160E+03 ppm1      4.281 ppm2      7.361
 ASSI { 3380}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      5.100     3.300     1.900 peak  3380 weight  0.10000E+01 volume  0.32440E+03 ppm1      1.955 ppm2      7.281
 ASSI { 3381}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      6.200     4.800     0.800 peak  3381 weight  0.10000E+01 volume  0.98300E+02 ppm1      0.706 ppm2      7.281
 OR { 3381}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
 ASSI { 3382}
   (( segid "    " and resid "22  " and name "HG3 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      5.100     3.300     1.900 peak  3382 weight  0.10000E+01 volume  0.31750E+03 ppm1      0.574 ppm2      7.281
 ASSI { 3385}
   (( segid "    " and resid "38  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      4.500     2.500     2.500 peak  3385 weight  0.10000E+01 volume  0.72700E+03 ppm1      2.991 ppm2      7.262
 ASSI { 3387}
   (( segid "    " and resid "10  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      5.300     3.500     1.700 peak  3387 weight  0.10000E+01 volume  0.25880E+03 ppm1      1.840 ppm2      7.258
 ASSI { 3389}
   (( segid "    " and resid "9   " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HZ  "))
      4.600     2.600     2.400 peak  3389 weight  0.10000E+01 volume  0.59240E+03 ppm1      2.354 ppm2      7.071
 ASSI { 3393}
   (( segid "    " and resid "52  " and name "HG3 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      5.700     4.100     1.300 peak  3393 weight  0.10000E+01 volume  0.16100E+03 ppm1      0.710 ppm2      7.227
 ASSI { 3394}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      6.700     5.600     0.300 peak  3394 weight  0.10000E+01 volume  0.64200E+02 ppm1      1.937 ppm2      6.590
 ASSI {   11}
   (( segid "    " and resid "3   " and name "HN  "))
   (( segid "    " and resid "3   " and name "HB2 "))
      3.000     1.100     1.100 peak    11 weight  0.10000E+01 volume  0.18190E+05 ppm1      8.657 ppm2      3.909
 OR {   11}
   (( segid "    " and resid "3   " and name "HN  "))
   (( segid "    " and resid "3   " and name "HB3 "))
 ASSI {   12}
   (( segid "    " and resid "3   " and name "HN  "))
   (( segid "    " and resid "3   " and name "HB3 "))
      3.200     1.300     1.300 peak    12 weight  0.10000E+01 volume  0.12030E+05 ppm1      8.656 ppm2      3.874
 ASSI {   14}
   (( segid "    " and resid "4   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HA  "))
      2.500     0.800     0.800 peak    14 weight  0.10000E+01 volume  0.60410E+05 ppm1      8.513 ppm2      4.466
 ASSI {   15}
   (( segid "    " and resid "4   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HB2 "))
      3.000     1.100     1.100 peak    15 weight  0.10000E+01 volume  0.19200E+05 ppm1      8.514 ppm2      3.960
 ASSI {   18}
   (( segid "    " and resid "5   " and name "HN  "))
   (( segid "    " and resid "5   " and name "HA  "))
      2.800     1.000     1.000 peak    18 weight  0.10000E+01 volume  0.30170E+05 ppm1      8.328 ppm2      4.318
 ASSI {   25}
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "6   " and name "HG3 "))
      3.500     1.500     1.500 peak    25 weight  0.10000E+01 volume  0.71490E+04 ppm1      8.357 ppm2      1.502
 ASSI {   26}
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "6   " and name "HD3 "))
      5.000     3.100     2.000 peak    26 weight  0.10000E+01 volume  0.83950E+03 ppm1      8.356 ppm2      1.733
 OR {   26}
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "6   " and name "HD2 "))
 ASSI {   30}
   (( segid "    " and resid "7   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HB2 "))
      2.300     0.700     0.700 peak    30 weight  0.10000E+01 volume  0.87990E+05 ppm1      8.596 ppm2      2.154
 ASSI {   31}
   (( segid "    " and resid "7   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HG2 "))
      2.800     2.800     4.200 peak    31 weight  0.10000E+01 volume  0.28140E+05 ppm1      8.596 ppm2      2.474
 OR {   31}
   (( segid "    " and resid "7   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HG3 "))
 ASSI {   35}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HB3 "))
      2.400     0.700     0.700 peak    35 weight  0.10000E+01 volume  0.71200E+05 ppm1      8.832 ppm2      2.121
 OR {   35}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HB2 "))
 ASSI {   38}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB3 "))
      2.300     0.700     0.700 peak    38 weight  0.10000E+01 volume  0.86440E+05 ppm1      8.231 ppm2      2.397
 ASSI {   43}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HB2 "))
      2.400     0.700     0.700 peak    43 weight  0.10000E+01 volume  0.77280E+05 ppm1      7.873 ppm2      1.825
 ASSI {   44}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HB3 "))
      2.400     0.700     0.700 peak    44 weight  0.10000E+01 volume  0.68140E+05 ppm1      7.873 ppm2      1.340
 ASSI {   46}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
      3.600     1.600     1.600 peak    46 weight  0.10000E+01 volume  0.63060E+04 ppm1      7.873 ppm2      0.737
 ASSI {   50}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HB  "))
      2.200     0.600     0.600 peak    50 weight  0.10000E+01 volume  0.11260E+06 ppm1      8.004 ppm2      2.115
 ASSI {   54}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HA  "))
      2.600     0.800     0.800 peak    54 weight  0.10000E+01 volume  0.48020E+05 ppm1      7.723 ppm2      3.899
 ASSI {   55}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HB3 "))
      2.200     0.600     0.600 peak    55 weight  0.10000E+01 volume  0.13150E+06 ppm1      7.723 ppm2      1.921
 OR {   55}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HB2 "))
 ASSI {   57}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HG3 "))
      4.400     2.400     2.400 peak    57 weight  0.10000E+01 volume  0.17840E+04 ppm1      7.723 ppm2      1.423
 ASSI {   66}
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HB2 "))
      2.300     0.700     0.700 peak    66 weight  0.10000E+01 volume  0.95950E+05 ppm1      8.834 ppm2      3.150
 ASSI {   70}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HB2 "))
      2.400     0.700     0.700 peak    70 weight  0.10000E+01 volume  0.73610E+05 ppm1      8.540 ppm2      1.823
 ASSI {   71}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HB3 "))
      2.900     1.100     1.100 peak    71 weight  0.10000E+01 volume  0.23140E+05 ppm1      8.540 ppm2      1.733
 ASSI {   77}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HA  "))
      2.600     0.800     0.800 peak    77 weight  0.10000E+01 volume  0.48080E+05 ppm1      7.770 ppm2      4.063
 ASSI {   81}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HB2 "))
      2.600     0.800     0.800 peak    81 weight  0.10000E+01 volume  0.48320E+05 ppm1      7.664 ppm2      1.821
 ASSI {   92}
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
      3.000     1.100     1.100 peak    92 weight  0.10000E+01 volume  0.20260E+05 ppm1      7.515 ppm2      0.484
 ASSI {   95}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HB2 "))
      2.700     0.900     0.900 peak    95 weight  0.10000E+01 volume  0.31600E+05 ppm1      8.207 ppm2      2.022
 ASSI {   97}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HG2 "))
      3.100     1.200     1.200 peak    97 weight  0.10000E+01 volume  0.15340E+05 ppm1      8.207 ppm2      1.627
 ASSI {   98}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HG3 "))
      3.900     1.900     1.900 peak    98 weight  0.10000E+01 volume  0.37690E+04 ppm1      8.207 ppm2      1.554
 ASSI {  102}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HB3 "))
      3.100     1.200     1.200 peak   102 weight  0.10000E+01 volume  0.14310E+05 ppm1      7.412 ppm2      2.091
 ASSI {  108}
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HG2 "))
      2.900     1.100     1.100 peak   108 weight  0.10000E+01 volume  0.24190E+05 ppm1      7.906 ppm2      2.424
 ASSI {  113}
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "22  " and name "HB2 "))
      3.600     1.600     1.600 peak   113 weight  0.10000E+01 volume  0.66120E+04 ppm1      7.923 ppm2      1.312
 ASSI {  116}
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "22  " and name "HB3 "))
      3.400     1.400     1.400 peak   116 weight  0.10000E+01 volume  0.83340E+04 ppm1      7.923 ppm2      1.100
 ASSI {  119}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HA  "))
      3.300     1.400     1.400 peak   119 weight  0.10000E+01 volume  0.10650E+05 ppm1      8.318 ppm2      4.755
 ASSI {  128}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HB2 "))
      3.700     1.700     1.700 peak   128 weight  0.10000E+01 volume  0.51650E+04 ppm1      8.009 ppm2      4.325
 ASSI {  132}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HB2 "))
      2.700     0.900     0.900 peak   132 weight  0.10000E+01 volume  0.33760E+05 ppm1      9.614 ppm2      2.080
 ASSI {  138}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HA  "))
      2.500     0.800     0.800 peak   138 weight  0.10000E+01 volume  0.52540E+05 ppm1      7.771 ppm2      4.190
 ASSI {  139}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HB2 "))
      2.200     0.600     0.600 peak   139 weight  0.10000E+01 volume  0.12890E+06 ppm1      7.771 ppm2      2.490
 ASSI {  144}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG12"))
      3.300     1.400     1.400 peak   144 weight  0.10000E+01 volume  0.96990E+04 ppm1      7.245 ppm2      0.703
 OR {  144}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG13"))
 ASSI {  145}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HA  "))
      2.900     1.100     1.100 peak   145 weight  0.10000E+01 volume  0.23360E+05 ppm1      7.245 ppm2      3.154
 ASSI {  147}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HA  "))
      2.500     0.800     0.800 peak   147 weight  0.10000E+01 volume  0.51790E+05 ppm1      8.120 ppm2      3.198
 ASSI {  152}
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HA  "))
      2.300     0.700     0.700 peak   152 weight  0.10000E+01 volume  0.81330E+05 ppm1      7.675 ppm2      4.162
 ASSI {  155}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HA  "))
      2.500     0.800     0.800 peak   155 weight  0.10000E+01 volume  0.62020E+05 ppm1      7.756 ppm2      4.232
 ASSI {  156}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
      2.200     0.600     0.600 peak   156 weight  0.10000E+01 volume  0.10980E+06 ppm1      7.755 ppm2      1.392
 ASSI {  169}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HB2 "))
      2.600     0.800     0.800 peak   169 weight  0.10000E+01 volume  0.46640E+05 ppm1      8.695 ppm2      2.040
 ASSI {  171}
   (( segid "    " and resid "35  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HA  "))
      2.600     0.800     0.800 peak   171 weight  0.10000E+01 volume  0.48070E+05 ppm1      8.346 ppm2      4.109
 ASSI {  172}
   (( segid "    " and resid "35  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HB2 "))
      2.300     0.700     0.700 peak   172 weight  0.10000E+01 volume  0.83530E+05 ppm1      8.346 ppm2      2.251
 ASSI {  178}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HB3 "))
      2.300     0.700     0.700 peak   178 weight  0.10000E+01 volume  0.85390E+05 ppm1      7.386 ppm2      2.225
 ASSI {  181}
   (( segid "    " and resid "37  " and name "HN  "))
   (( segid "    " and resid "37  " and name "HA1 "))
      2.400     0.700     0.700 peak   181 weight  0.10000E+01 volume  0.68290E+05 ppm1      7.739 ppm2      4.103
 ASSI {  189}
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HB2 "))
      2.500     0.800     0.800 peak   189 weight  0.10000E+01 volume  0.54720E+05 ppm1      8.343 ppm2      2.670
 OR {  189}
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HB3 "))
 ASSI {  197}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HB  "))
      2.300     0.700     0.700 peak   197 weight  0.10000E+01 volume  0.80350E+05 ppm1      8.178 ppm2      1.964
 ASSI {  202}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HA  "))
      2.800     1.000     1.000 peak   202 weight  0.10000E+01 volume  0.29550E+05 ppm1      6.753 ppm2      4.720
 ASSI {  209}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HA  "))
      2.600     0.800     0.800 peak   209 weight  0.10000E+01 volume  0.44460E+05 ppm1      8.386 ppm2      4.168
 ASSI {  213}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HA  "))
      2.600     0.800     0.800 peak   213 weight  0.10000E+01 volume  0.48930E+05 ppm1      8.206 ppm2      3.996
 ASSI {  214}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB3 "))
      2.200     0.600     0.600 peak   214 weight  0.10000E+01 volume  0.11710E+06 ppm1      8.206 ppm2      1.832
 OR {  214}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB2 "))
 ASSI {  217}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HD2 "))
      3.700     1.700     1.700 peak   217 weight  0.10000E+01 volume  0.49800E+04 ppm1      8.206 ppm2      1.669
 OR {  217}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HD3 "))
 ASSI {  225}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB2 "))
      2.100     0.600     0.600 peak   225 weight  0.10000E+01 volume  0.13850E+06 ppm1      8.870 ppm2      4.078
 OR {  225}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB3 "))
 ASSI {  228}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HB3 "))
      2.700     0.900     0.900 peak   228 weight  0.10000E+01 volume  0.32120E+05 ppm1      7.643 ppm2      1.842
 ASSI {  229}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HG2 "))
      2.900     1.100     1.100 peak   229 weight  0.10000E+01 volume  0.25010E+05 ppm1      7.643 ppm2      1.794
 ASSI {  230}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HB2 "))
      2.300     0.700     0.700 peak   230 weight  0.10000E+01 volume  0.84680E+05 ppm1      7.643 ppm2      1.921
 ASSI {  231}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HD3 "))
      3.900     1.900     1.900 peak   231 weight  0.10000E+01 volume  0.37070E+04 ppm1      7.643 ppm2      3.184
 OR {  231}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HD2 "))
 ASSI {  240}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HB2 "))
      2.500     2.500     4.500 peak   240 weight  0.10000E+01 volume  0.57210E+05 ppm1      8.693 ppm2      2.162
 ASSI {  241}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HG  "))
      2.500     0.800     0.800 peak   241 weight  0.10000E+01 volume  0.54160E+05 ppm1      8.692 ppm2      1.876
 ASSI {  243}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
      2.900     1.100     1.100 peak   243 weight  0.10000E+01 volume  0.22650E+05 ppm1      8.692 ppm2      0.450
 OR {  243}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
 ASSI {  245}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HB  "))
      2.300     0.700     0.700 peak   245 weight  0.10000E+01 volume  0.10150E+06 ppm1      7.649 ppm2      4.157
 ASSI {  249}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HA  "))
      2.900     1.100     1.100 peak   249 weight  0.10000E+01 volume  0.23350E+05 ppm1      8.327 ppm2      3.882
 ASSI {  250}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HB2 "))
      2.400     0.700     0.700 peak   250 weight  0.10000E+01 volume  0.70920E+05 ppm1      8.327 ppm2      1.724
 ASSI {  251}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HB3 "))
      2.800     1.000     1.000 peak   251 weight  0.10000E+01 volume  0.30890E+05 ppm1      8.327 ppm2      1.517
 ASSI {  263}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HA1 "))
      3.100     1.200     1.200 peak   263 weight  0.10000E+01 volume  0.13960E+05 ppm1      7.714 ppm2      4.094
 ASSI {  264}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HA2 "))
      2.200     0.600     0.600 peak   264 weight  0.10000E+01 volume  0.12900E+06 ppm1      7.714 ppm2      3.918
 ASSI {  266}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "55  " and name "HA  "))
      2.700     0.900     0.900 peak   266 weight  0.10000E+01 volume  0.37930E+05 ppm1      8.100 ppm2      4.574
 ASSI {  267}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
      2.100     0.600     0.600 peak   267 weight  0.10000E+01 volume  0.13990E+06 ppm1      8.100 ppm2      1.454
 ASSI {  269}
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HA  "))
      2.800     1.000     1.000 peak   269 weight  0.10000E+01 volume  0.25580E+05 ppm1      8.548 ppm2      4.673
 ASSI {  270}
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HB  "))
      3.600     1.600     1.600 peak   270 weight  0.10000E+01 volume  0.64740E+04 ppm1      8.548 ppm2      2.132
 ASSI {  275}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HB3 "))
      2.700     0.900     0.900 peak   275 weight  0.10000E+01 volume  0.38780E+05 ppm1      8.318 ppm2      1.350
 OR {  275}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HB2 "))
 ASSI {  277}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HG2 "))
      3.300     1.400     1.400 peak   277 weight  0.10000E+01 volume  0.10560E+05 ppm1      8.318 ppm2      1.066
 ASSI {  283}
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HA  "))
      2.900     1.100     1.100 peak   283 weight  0.10000E+01 volume  0.20990E+05 ppm1      7.978 ppm2      4.879
 ASSI {  285}
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HB2 "))
      2.500     0.800     0.800 peak   285 weight  0.10000E+01 volume  0.53770E+05 ppm1      7.978 ppm2      1.719
 ASSI {  296}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HG2 "))
      2.700     0.900     0.900 peak   296 weight  0.10000E+01 volume  0.33470E+05 ppm1      7.412 ppm2      1.438
 OR {  296}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HG3 "))
 ASSI {  299}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HB2 "))
      3.300     1.400     1.400 peak   299 weight  0.10000E+01 volume  0.10780E+05 ppm1      7.412 ppm2      2.061
 ASSI {  303}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HB2 "))
      3.800     1.800     1.800 peak   303 weight  0.10000E+01 volume  0.47980E+04 ppm1      8.242 ppm2      2.500
 ASSI {  306}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HG3 "))
      3.200     1.300     1.300 peak   306 weight  0.10000E+01 volume  0.12050E+05 ppm1      8.242 ppm2      2.334
 ASSI {  308}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HA  "))
      2.800     1.000     1.000 peak   308 weight  0.10000E+01 volume  0.27940E+05 ppm1      8.006 ppm2      4.324
 ASSI {  309}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HB2 "))
      2.500     0.800     0.800 peak   309 weight  0.10000E+01 volume  0.55590E+05 ppm1      8.006 ppm2      1.858
 ASSI {  311}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HG3 "))
      2.600     0.800     0.800 peak   311 weight  0.10000E+01 volume  0.41730E+05 ppm1      8.006 ppm2      2.129
 ASSI {  314}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HA  "))
      2.900     1.100     1.100 peak   314 weight  0.10000E+01 volume  0.23820E+05 ppm1      8.516 ppm2      4.709
 ASSI {  315}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HB2 "))
      2.500     0.800     0.800 peak   315 weight  0.10000E+01 volume  0.59670E+05 ppm1      8.516 ppm2      1.917
 ASSI {  316}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HB3 "))
      3.000     1.100     1.100 peak   316 weight  0.10000E+01 volume  0.17450E+05 ppm1      8.516 ppm2      1.581
 ASSI {  317}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HG3 "))
      2.800     1.000     1.000 peak   317 weight  0.10000E+01 volume  0.27270E+05 ppm1      8.516 ppm2      2.368
 ASSI {  319}
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HA  "))
      3.300     1.400     1.400 peak   319 weight  0.10000E+01 volume  0.99770E+04 ppm1      8.767 ppm2      4.577
 ASSI {  331}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HA  "))
      3.100     1.200     1.200 peak   331 weight  0.10000E+01 volume  0.15800E+05 ppm1      8.671 ppm2      4.772
 ASSI {  339}
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HA  "))
      2.700     0.900     0.900 peak   339 weight  0.10000E+01 volume  0.35070E+05 ppm1      8.478 ppm2      4.305
 ASSI {  344}
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HA  "))
      2.600     0.800     0.800 peak   344 weight  0.10000E+01 volume  0.40160E+05 ppm1      8.338 ppm2      4.376
 ASSI {  347}
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HD22")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD21"))
      4.100     2.100     2.100 peak   347 weight  0.10000E+01 volume  0.27870E+04 ppm1      8.338 ppm2      0.880
 ASSI {  349}
   (( segid "    " and resid "74  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HA1 "))
      2.600     0.800     0.800 peak   349 weight  0.10000E+01 volume  0.41850E+05 ppm1      8.467 ppm2      3.969
 ASSI {  353}
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HB  "))
      3.100     1.200     1.200 peak   353 weight  0.10000E+01 volume  0.15850E+05 ppm1      7.933 ppm2      2.077
 ASSI {  354}
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HG12")
     OR 
    ( segid "    " and resid "75  " and name "HG13")
     OR 
    ( segid "    " and resid "75  " and name "HG11"))
      3.700     1.700     1.700 peak   354 weight  0.10000E+01 volume  0.51760E+04 ppm1      7.933 ppm2      0.974
 ASSI {  408}
   (( segid "    " and resid "3   " and name "HN  "))
   (( segid "    " and resid "2   " and name "HB3 "))
      3.800     1.800     1.800 peak   408 weight  0.10000E+01 volume  0.45220E+04 ppm1      8.656 ppm2      1.758
 ASSI {  409}
   (( segid "    " and resid "3   " and name "HN  "))
   (( segid "    " and resid "2   " and name "HG3 "))
      3.900     1.900     1.900 peak   409 weight  0.10000E+01 volume  0.39210E+04 ppm1      8.656 ppm2      1.642
 OR {  409}
   (( segid "    " and resid "3   " and name "HN  "))
   (( segid "    " and resid "2   " and name "HG2 "))
 ASSI {  410}
   (( segid "    " and resid "3   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HN  "))
      3.500     1.500     1.500 peak   410 weight  0.10000E+01 volume  0.67340E+04 ppm1      8.655 ppm2      8.513
 ASSI {  417}
   (( segid "    " and resid "5   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HB3 "))
      3.800     1.800     1.800 peak   417 weight  0.10000E+01 volume  0.45140E+04 ppm1      8.328 ppm2      3.874
 ASSI {  418}
   (( segid "    " and resid "4   " and name "HN  "))
   (( segid "    " and resid "5   " and name "HN  "))
      3.100     1.200     1.200 peak   418 weight  0.10000E+01 volume  0.14020E+05 ppm1      8.513 ppm2      8.323
 ASSI {  422}
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HG2 "))
      3.600     1.600     1.600 peak   422 weight  0.10000E+01 volume  0.65050E+04 ppm1      8.356 ppm2      2.398
 OR {  422}
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HG3 "))
 ASSI {  425}
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HA  "))
      3.800     1.800     1.800 peak   425 weight  0.10000E+01 volume  0.44910E+04 ppm1      8.357 ppm2      4.477
 ASSI {  433}
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HN  "))
      3.500     1.500     1.500 peak   433 weight  0.10000E+01 volume  0.73850E+04 ppm1      8.358 ppm2      8.595
 ASSI {  437}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HN  "))
      2.600     0.800     0.800 peak   437 weight  0.10000E+01 volume  0.41530E+05 ppm1      8.831 ppm2      8.595
 ASSI {  439}
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HN  "))
      2.700     0.900     0.900 peak   439 weight  0.10000E+01 volume  0.37460E+05 ppm1      8.833 ppm2      8.535
 ASSI {  444}
   (( segid "    " and resid "7   " and name "HN  "))
   (( segid "    " and resid "6   " and name "HA  "))
      2.400     0.700     0.700 peak   444 weight  0.10000E+01 volume  0.77940E+05 ppm1      8.596 ppm2      4.348
 ASSI {  452}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "10  " and name "HB2 "))
      3.500     1.500     1.500 peak   452 weight  0.10000E+01 volume  0.70930E+04 ppm1      8.231 ppm2      1.837
 ASSI {  454}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB3 "))
      2.800     1.000     1.000 peak   454 weight  0.10000E+01 volume  0.29750E+05 ppm1      7.873 ppm2      2.396
 ASSI {  459}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HA  "))
      4.000     2.000     2.000 peak   459 weight  0.10000E+01 volume  0.31600E+04 ppm1      8.005 ppm2      4.234
 ASSI {  461}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HB2 "))
      2.700     0.900     0.900 peak   461 weight  0.10000E+01 volume  0.37940E+05 ppm1      8.004 ppm2      1.830
 ASSI {  463}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HN  "))
      2.500     0.800     0.800 peak   463 weight  0.10000E+01 volume  0.57740E+05 ppm1      7.871 ppm2      7.981
 ASSI {  464}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      3.200     1.300     1.300 peak   464 weight  0.10000E+01 volume  0.12310E+05 ppm1      7.872 ppm2      7.253
 ASSI {  473}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HD22")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD21"))
      3.700     1.700     1.700 peak   473 weight  0.10000E+01 volume  0.49170E+04 ppm1      8.002 ppm2      0.252
 ASSI {  482}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      5.000     3.100     2.000 peak   482 weight  0.10000E+01 volume  0.86900E+03 ppm1      8.170 ppm2      7.251
 ASSI {  485}
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HA  "))
      3.200     1.300     1.300 peak   485 weight  0.10000E+01 volume  0.12820E+05 ppm1      8.834 ppm2      4.189
 ASSI {  486}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HA  "))
      3.100     1.200     1.200 peak   486 weight  0.10000E+01 volume  0.16670E+05 ppm1      7.722 ppm2      4.227
 ASSI {  493}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HB3 "))
      2.400     0.700     0.700 peak   493 weight  0.10000E+01 volume  0.67710E+05 ppm1      8.170 ppm2      1.925
 OR {  493}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HB2 "))
 ASSI {  496}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB2 "))
      4.700     2.800     2.300 peak   496 weight  0.10000E+01 volume  0.11960E+04 ppm1      8.170 ppm2      2.399
 ASSI {  498}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
      4.000     2.000     2.000 peak   498 weight  0.10000E+01 volume  0.34580E+04 ppm1      8.171 ppm2      0.569
 ASSI {  499}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HD3 "))
      3.000     1.100     1.100 peak   499 weight  0.10000E+01 volume  0.19090E+05 ppm1      8.171 ppm2      1.601
 ASSI {  513}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HA  "))
      4.300     2.300     2.300 peak   513 weight  0.10000E+01 volume  0.21010E+04 ppm1      8.540 ppm2      4.186
 ASSI {  515}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HA  "))
      3.400     1.400     1.400 peak   515 weight  0.10000E+01 volume  0.82900E+04 ppm1      7.770 ppm2      3.899
 ASSI {  516}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HG  "))
      3.900     1.900     1.900 peak   516 weight  0.10000E+01 volume  0.39840E+04 ppm1      7.770 ppm2      2.029
 ASSI {  517}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HB2 "))
      2.700     0.900     0.900 peak   517 weight  0.10000E+01 volume  0.37450E+05 ppm1      7.770 ppm2      1.837
 ASSI {  519}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HA  "))
      2.800     1.000     1.000 peak   519 weight  0.10000E+01 volume  0.29060E+05 ppm1      7.770 ppm2      4.196
 ASSI {  520}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HB2 ")
     OR 
    ( segid "    " and resid "16  " and name "HB3 ")
     OR 
    ( segid "    " and resid "16  " and name "HB1 "))
      2.600     0.800     0.800 peak   520 weight  0.10000E+01 volume  0.39020E+05 ppm1      7.664 ppm2      1.534
 ASSI {  521}
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HG  "))
      3.100     1.200     1.200 peak   521 weight  0.10000E+01 volume  0.14870E+05 ppm1      7.515 ppm2      2.029
 ASSI {  523}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
      4.300     2.300     2.300 peak   523 weight  0.10000E+01 volume  0.20340E+04 ppm1      8.208 ppm2      0.490
 ASSI {  524}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
      4.800     2.900     2.200 peak   524 weight  0.10000E+01 volume  0.11430E+04 ppm1      8.208 ppm2      0.413
 ASSI {  525}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
      4.000     2.000     2.000 peak   525 weight  0.10000E+01 volume  0.30760E+04 ppm1      8.209 ppm2      0.967
 OR {  525}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
 ASSI {  526}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HG  "))
      4.300     2.300     2.300 peak   526 weight  0.10000E+01 volume  0.20790E+04 ppm1      7.664 ppm2      1.284
 ASSI {  529}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HB2 "))
      3.300     1.400     1.400 peak   529 weight  0.10000E+01 volume  0.10050E+05 ppm1      7.412 ppm2      2.023
 ASSI {  532}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
      3.900     1.900     1.900 peak   532 weight  0.10000E+01 volume  0.36060E+04 ppm1      8.313 ppm2      0.484
 ASSI {  533}
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HA  "))
      3.000     1.100     1.100 peak   533 weight  0.10000E+01 volume  0.16800E+05 ppm1      7.906 ppm2      4.089
 ASSI {  535}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HA  "))
      3.400     1.400     1.400 peak   535 weight  0.10000E+01 volume  0.80930E+04 ppm1      7.664 ppm2      4.073
 ASSI {  544}
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HN  "))
      2.400     0.700     0.700 peak   544 weight  0.10000E+01 volume  0.71660E+05 ppm1      7.515 ppm2      7.661
 ASSI {  554}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HN  "))
      2.500     0.800     0.800 peak   554 weight  0.10000E+01 volume  0.53230E+05 ppm1      7.412 ppm2      8.214
 ASSI {  566}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HN  "))
      3.900     1.900     1.900 peak   566 weight  0.10000E+01 volume  0.40650E+04 ppm1      9.614 ppm2      7.757
 ASSI {  568}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HN  "))
      3.800     1.800     1.800 peak   568 weight  0.10000E+01 volume  0.45930E+04 ppm1      8.008 ppm2      7.757
 ASSI {  572}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HB2 "))
      3.200     1.300     1.300 peak   572 weight  0.10000E+01 volume  0.12710E+05 ppm1      8.007 ppm2      3.055
 ASSI {  573}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HB2 "))
      2.700     0.900     0.900 peak   573 weight  0.10000E+01 volume  0.33170E+05 ppm1      8.008 ppm2      2.479
 ASSI {  574}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HA  "))
      2.700     0.900     0.900 peak   574 weight  0.10000E+01 volume  0.36620E+05 ppm1      8.008 ppm2      4.795
 ASSI {  575}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HB2 "))
      3.500     1.500     1.500 peak   575 weight  0.10000E+01 volume  0.70240E+04 ppm1      8.008 ppm2      4.074
 ASSI {  576}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HG2 "))
      2.800     1.000     1.000 peak   576 weight  0.10000E+01 volume  0.28070E+05 ppm1      9.611 ppm2      2.587
 OR {  576}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HG3 "))
 ASSI {  580}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HB  "))
      3.300     1.400     1.400 peak   580 weight  0.10000E+01 volume  0.97860E+04 ppm1      8.316 ppm2      1.846
 ASSI {  588}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HN  "))
      2.600     0.800     0.800 peak   588 weight  0.10000E+01 volume  0.42890E+05 ppm1      8.121 ppm2      7.669
 ASSI {  590}
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HN  "))
      3.900     1.900     1.900 peak   590 weight  0.10000E+01 volume  0.36790E+04 ppm1      7.672 ppm2      7.243
 ASSI {  592}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HA1 "))
      2.900     1.100     1.100 peak   592 weight  0.10000E+01 volume  0.21550E+05 ppm1      7.771 ppm2      4.051
 ASSI {  593}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HB2 "))
      3.800     1.800     1.800 peak   593 weight  0.10000E+01 volume  0.43660E+04 ppm1      7.771 ppm2      4.323
 ASSI {  595}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HA  "))
      3.700     1.700     1.700 peak   595 weight  0.10000E+01 volume  0.54990E+04 ppm1      7.244 ppm2      4.186
 ASSI {  596}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HA1 "))
      4.600     2.600     2.400 peak   596 weight  0.10000E+01 volume  0.14390E+04 ppm1      7.244 ppm2      4.059
 ASSI {  601}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HB2 "))
      2.800     1.000     1.000 peak   601 weight  0.10000E+01 volume  0.25610E+05 ppm1      7.244 ppm2      2.471
 ASSI {  603}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
      3.500     1.500     1.500 peak   603 weight  0.10000E+01 volume  0.69290E+04 ppm1      7.243 ppm2      0.936
 OR {  603}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
 ASSI {  605}
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HA  "))
      3.100     1.200     1.200 peak   605 weight  0.10000E+01 volume  0.14920E+05 ppm1      7.671 ppm2      3.200
 ASSI {  609}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HA  "))
      3.700     1.700     1.700 peak   609 weight  0.10000E+01 volume  0.51530E+04 ppm1      8.121 ppm2      3.798
 ASSI {  611}
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
      2.700     0.900     0.900 peak   611 weight  0.10000E+01 volume  0.32910E+05 ppm1      7.672 ppm2      0.811
 OR {  611}
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
 ASSI {  612}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG12"))
      3.400     1.400     1.400 peak   612 weight  0.10000E+01 volume  0.92460E+04 ppm1      8.120 ppm2      0.701
 OR {  612}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG13"))
 ASSI {  614}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HN  "))
      2.600     0.800     0.800 peak   614 weight  0.10000E+01 volume  0.47300E+05 ppm1      7.757 ppm2      8.122
 ASSI {  635}
   (( segid "    " and resid "35  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HN  "))
      2.500     0.800     0.800 peak   635 weight  0.10000E+01 volume  0.52670E+05 ppm1      8.345 ppm2      8.693
 ASSI {  654}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HB3 "))
      2.700     0.900     0.900 peak   654 weight  0.10000E+01 volume  0.36940E+05 ppm1      8.771 ppm2      2.667
 OR {  654}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HB2 "))
 ASSI {  655}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HA  "))
      2.300     0.700     0.700 peak   655 weight  0.10000E+01 volume  0.82550E+05 ppm1      8.771 ppm2      4.612
 ASSI {  659}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HA  "))
      3.300     1.400     1.400 peak   659 weight  0.10000E+01 volume  0.99080E+04 ppm1      8.179 ppm2      4.612
 ASSI {  660}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HG12"))
      2.600     2.600     4.400 peak   660 weight  0.10000E+01 volume  0.45590E+05 ppm1      8.177 ppm2      1.441
 ASSI {  666}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HD3 "))
      3.100     1.200     1.200 peak   666 weight  0.10000E+01 volume  0.14150E+05 ppm1      6.755 ppm2      1.683
 OR {  666}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HD2 "))
 ASSI {  667}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB3 "))
      2.400     0.700     0.700 peak   667 weight  0.10000E+01 volume  0.73270E+05 ppm1      6.754 ppm2      1.818
 OR {  667}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB2 "))
 ASSI {  672}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HG3 "))
      3.600     1.600     1.600 peak   672 weight  0.10000E+01 volume  0.58930E+04 ppm1      9.109 ppm2      2.273
 ASSI {  676}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HA  "))
      2.700     0.900     0.900 peak   676 weight  0.10000E+01 volume  0.33840E+05 ppm1      9.110 ppm2      4.719
 ASSI {  682}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
      4.100     2.100     2.100 peak   682 weight  0.10000E+01 volume  0.29520E+04 ppm1      8.386 ppm2      0.828
 OR {  682}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
 ASSI {  694}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB2 "))
      2.700     0.900     0.900 peak   694 weight  0.10000E+01 volume  0.35370E+05 ppm1      7.849 ppm2      1.824
 OR {  694}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB3 "))
 ASSI {  695}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HG3 "))
      4.700     2.800     2.300 peak   695 weight  0.10000E+01 volume  0.13100E+04 ppm1      7.848 ppm2      1.402
 ASSI {  703}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HN  "))
      3.200     1.300     1.300 peak   703 weight  0.10000E+01 volume  0.12120E+05 ppm1      6.752 ppm2      8.197
 ASSI {  723}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HA  "))
      4.400     2.400     2.400 peak   723 weight  0.10000E+01 volume  0.18100E+04 ppm1      7.643 ppm2      3.432
 ASSI {  728}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HA  "))
      3.300     1.400     1.400 peak   728 weight  0.10000E+01 volume  0.10900E+05 ppm1      7.903 ppm2      4.086
 ASSI {  730}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HB3 "))
      3.200     1.300     1.300 peak   730 weight  0.10000E+01 volume  0.12390E+05 ppm1      7.902 ppm2      1.849
 ASSI {  741}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
      3.600     1.600     1.600 peak   741 weight  0.10000E+01 volume  0.65180E+04 ppm1      7.650 ppm2      0.444
 OR {  741}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
 ASSI {  748}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HB  "))
      2.900     1.100     1.100 peak   748 weight  0.10000E+01 volume  0.24030E+05 ppm1      8.326 ppm2      4.168
 ASSI {  761}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HN  "))
      2.600     0.800     0.800 peak   761 weight  0.10000E+01 volume  0.42020E+05 ppm1      8.100 ppm2      7.704
 ASSI {  764}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HA1 "))
      3.600     1.600     1.600 peak   764 weight  0.10000E+01 volume  0.65290E+04 ppm1      8.100 ppm2      4.100
 ASSI {  767}
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "55  " and name "HN  "))
      4.000     2.000     2.000 peak   767 weight  0.10000E+01 volume  0.30700E+04 ppm1      8.548 ppm2      8.111
 ASSI {  771}
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HN  "))
      3.700     1.700     1.700 peak   771 weight  0.10000E+01 volume  0.50930E+04 ppm1      8.549 ppm2      8.325
 ASSI {  772}
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HN  "))
      3.700     1.700     1.700 peak   772 weight  0.10000E+01 volume  0.48680E+04 ppm1      8.921 ppm2      8.317
 ASSI {  773}
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HN  "))
      3.400     1.400     1.400 peak   773 weight  0.10000E+01 volume  0.88530E+04 ppm1      8.921 ppm2      8.478
 ASSI {  774}
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HN  "))
      2.600     0.800     0.800 peak   774 weight  0.10000E+01 volume  0.40530E+05 ppm1      8.921 ppm2      8.768
 ASSI {  776}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HN  "))
      4.200     2.200     2.200 peak   776 weight  0.10000E+01 volume  0.26100E+04 ppm1      8.735 ppm2      8.235
 ASSI {  779}
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HB2 "))
      3.100     1.200     1.200 peak   779 weight  0.10000E+01 volume  0.16590E+05 ppm1      8.921 ppm2      1.358
 OR {  779}
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HB3 "))
 ASSI {  785}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
      3.400     1.400     1.400 peak   785 weight  0.10000E+01 volume  0.81080E+04 ppm1      8.319 ppm2      0.971
 ASSI {  787}
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB  "))
      3.200     1.300     1.300 peak   787 weight  0.10000E+01 volume  0.12030E+05 ppm1      7.977 ppm2      3.952
 ASSI {  789}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HB3 "))
      3.000     1.100     1.100 peak   789 weight  0.10000E+01 volume  0.17030E+05 ppm1      8.733 ppm2      1.738
 OR {  789}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HB2 "))
 ASSI {  790}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HG3 "))
      3.400     1.400     1.400 peak   790 weight  0.10000E+01 volume  0.83400E+04 ppm1      8.733 ppm2      1.573
 OR {  790}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HG2 "))
 ASSI {  794}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HA  "))
      4.000     2.000     2.000 peak   794 weight  0.10000E+01 volume  0.33620E+04 ppm1      8.733 ppm2      4.719
 ASSI {  797}
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HA  "))
      2.400     0.700     0.700 peak   797 weight  0.10000E+01 volume  0.77300E+05 ppm1      8.488 ppm2      4.846
 ASSI {  799}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HA  "))
      3.200     1.300     1.300 peak   799 weight  0.10000E+01 volume  0.12200E+05 ppm1      8.243 ppm2      4.161
 ASSI {  801}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HD3 "))
      4.100     2.100     2.100 peak   801 weight  0.10000E+01 volume  0.26490E+04 ppm1      8.243 ppm2      3.051
 OR {  801}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HD2 "))
 ASSI {  805}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HA  "))
      2.800     1.000     1.000 peak   805 weight  0.10000E+01 volume  0.28070E+05 ppm1      8.006 ppm2      3.958
 ASSI {  809}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HG2 "))
      3.700     1.700     1.700 peak   809 weight  0.10000E+01 volume  0.54530E+04 ppm1      8.516 ppm2      2.131
 OR {  809}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HG3 "))
 ASSI {  810}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HA  "))
      2.200     0.600     0.600 peak   810 weight  0.10000E+01 volume  0.13490E+06 ppm1      8.515 ppm2      4.326
 ASSI {  811}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HA  "))
      4.000     2.000     2.000 peak   811 weight  0.10000E+01 volume  0.35270E+04 ppm1      8.516 ppm2      4.878
 ASSI {  815}
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HA  "))
      3.200     1.300     1.300 peak   815 weight  0.10000E+01 volume  0.13200E+05 ppm1      8.766 ppm2      4.884
 ASSI {  819}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HN  "))
      2.400     0.700     0.700 peak   819 weight  0.10000E+01 volume  0.72200E+05 ppm1      8.243 ppm2      7.429
 ASSI {  821}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HN  "))
      2.500     0.800     0.800 peak   821 weight  0.10000E+01 volume  0.52970E+05 ppm1      8.243 ppm2      7.998
 ASSI {  828}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HB  "))
      2.400     0.700     0.700 peak   828 weight  0.10000E+01 volume  0.67760E+05 ppm1      8.470 ppm2      1.835
 ASSI {  830}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HA  "))
      2.700     0.900     0.900 peak   830 weight  0.10000E+01 volume  0.36620E+05 ppm1      8.469 ppm2      4.782
 ASSI {  837}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HB2 "))
      3.100     1.200     1.200 peak   837 weight  0.10000E+01 volume  0.14170E+05 ppm1      9.089 ppm2      2.681
 ASSI {  844}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HB2 "))
      2.500     0.800     0.800 peak   844 weight  0.10000E+01 volume  0.55880E+05 ppm1      8.670 ppm2      2.872
 OR {  844}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HB3 "))
 ASSI {  845}
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG22")
     OR 
    ( segid "    " and resid "56  " and name "HG23")
     OR 
    ( segid "    " and resid "56  " and name "HG21"))
      4.100     2.100     2.100 peak   845 weight  0.10000E+01 volume  0.29080E+04 ppm1      8.436 ppm2      0.771
 ASSI {  850}
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HB2 "))
      3.200     1.300     1.300 peak   850 weight  0.10000E+01 volume  0.12820E+05 ppm1      8.434 ppm2      2.354
 ASSI {  851}
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HA  "))
      2.100     0.600     0.600 peak   851 weight  0.10000E+01 volume  0.15200E+06 ppm1      8.436 ppm2      4.428
 ASSI {  852}
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HB2 "))
      3.300     1.400     1.400 peak   852 weight  0.10000E+01 volume  0.10220E+05 ppm1      8.339 ppm2      2.053
 ASSI {  853}
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HB3 "))
      4.000     2.000     2.000 peak   853 weight  0.10000E+01 volume  0.34280E+04 ppm1      8.339 ppm2      1.944
 ASSI {  856}
   (( segid "    " and resid "74  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HG  "))
      3.400     1.400     1.400 peak   856 weight  0.10000E+01 volume  0.82100E+04 ppm1      8.467 ppm2      1.644
 OR {  856}
   (( segid "    " and resid "74  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HB3 "))
 ASSI {  858}
   (( segid "    " and resid "74  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HN  "))
      2.900     1.100     1.100 peak   858 weight  0.10000E+01 volume  0.23320E+05 ppm1      8.468 ppm2      8.330
 ASSI {  859}
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HN  "))
      2.900     1.100     1.100 peak   859 weight  0.10000E+01 volume  0.21200E+05 ppm1      7.933 ppm2      8.480
 ASSI {  861}
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HA1 "))
      2.900     1.100     1.100 peak   861 weight  0.10000E+01 volume  0.22340E+05 ppm1      7.934 ppm2      3.977
 ASSI {  865}
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "77  " and name "HN  "))
      3.500     1.500     1.500 peak   865 weight  0.10000E+01 volume  0.67960E+04 ppm1      7.815 ppm2      8.412
 ASSI {  873}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HB3 "))
      4.000     2.000     2.000 peak   873 weight  0.10000E+01 volume  0.33710E+04 ppm1      7.417 ppm2      1.936
 ASSI {  876}
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
      3.600     1.600     1.600 peak   876 weight  0.10000E+01 volume  0.66070E+04 ppm1      9.573 ppm2      0.484
 ASSI {  879}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HB2 ")
     OR 
    ( segid "    " and resid "31  " and name "HB3 ")
     OR 
    ( segid "    " and resid "31  " and name "HB1 "))
      2.500     0.800     0.800 peak   879 weight  0.10000E+01 volume  0.62280E+05 ppm1      7.755 ppm2      1.485
 ASSI {  880}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
      3.300     1.400     1.400 peak   880 weight  0.10000E+01 volume  0.10760E+05 ppm1      8.126 ppm2      0.511
 ASSI {  891}
   (( segid "    " and resid "37  " and name "HN  "))
   (( segid "    " and resid "38  " and name "HN  "))
      2.400     0.700     0.700 peak   891 weight  0.10000E+01 volume  0.72070E+05 ppm1      7.740 ppm2      7.628
 ASSI {  893}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HA  "))
      3.200     1.300     1.300 peak   893 weight  0.10000E+01 volume  0.12590E+05 ppm1      7.641 ppm2      3.991
 ASSI {  894}
   (( segid "    " and resid "38  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HB3 "))
      3.900     1.900     1.900 peak   894 weight  0.10000E+01 volume  0.41320E+04 ppm1      7.635 ppm2      1.275
 ASSI {  898}
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "38  " and name "HA  "))
      2.200     0.600     0.600 peak   898 weight  0.10000E+01 volume  0.13530E+06 ppm1      8.344 ppm2      4.524
 ASSI {  908}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB2 "))
      4.300     2.300     2.300 peak   908 weight  0.10000E+01 volume  0.19920E+04 ppm1      8.386 ppm2      4.085
 OR {  908}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB3 "))
 ASSI {  909}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HN  "))
      3.400     3.400     3.600 peak   909 weight  0.10000E+01 volume  0.87220E+04 ppm1      8.206 ppm2      7.928
 ASSI {  912}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB2 "))
      4.000     2.000     2.000 peak   912 weight  0.10000E+01 volume  0.33540E+04 ppm1      7.850 ppm2      4.075
 OR {  912}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB3 "))
 ASSI {  913}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HA  "))
      3.900     1.900     1.900 peak   913 weight  0.10000E+01 volume  0.40190E+04 ppm1      7.850 ppm2      4.151
 ASSI {  914}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HA  "))
      2.600     0.800     0.800 peak   914 weight  0.10000E+01 volume  0.45140E+05 ppm1      8.870 ppm2      4.167
 ASSI {  917}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HN  "))
      3.900     1.900     1.900 peak   917 weight  0.10000E+01 volume  0.41240E+04 ppm1      7.642 ppm2      8.207
 ASSI {  924}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HA  "))
      3.700     1.700     1.700 peak   924 weight  0.10000E+01 volume  0.50590E+04 ppm1      7.649 ppm2      4.014
 ASSI {  929}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HA  "))
      3.100     1.200     1.200 peak   929 weight  0.10000E+01 volume  0.14980E+05 ppm1      8.101 ppm2      4.016
 ASSI {  934}
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HN  "))
      4.400     2.400     2.400 peak   934 weight  0.10000E+01 volume  0.18880E+04 ppm1      8.922 ppm2      7.975
 ASSI {  946}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HN  "))
      3.500     1.500     1.500 peak   946 weight  0.10000E+01 volume  0.75010E+04 ppm1      8.006 ppm2      8.177
 ASSI {  948}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HN  "))
      3.800     1.800     1.800 peak   948 weight  0.10000E+01 volume  0.42060E+04 ppm1      8.170 ppm2      8.528
 ASSI {  952}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HN  "))
      3.400     1.400     1.400 peak   952 weight  0.10000E+01 volume  0.81410E+04 ppm1      7.772 ppm2      8.126
 ASSI {  954}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HN  "))
      3.200     1.300     1.300 peak   954 weight  0.10000E+01 volume  0.13010E+05 ppm1      8.123 ppm2      7.674
 ASSI {  955}
   (( segid "    " and resid "35  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HN  "))
      3.600     1.600     1.600 peak   955 weight  0.10000E+01 volume  0.65570E+04 ppm1      8.347 ppm2      8.121
 ASSI {  963}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HN  "))
      3.700     1.700     1.700 peak   963 weight  0.10000E+01 volume  0.51980E+04 ppm1      8.871 ppm2      7.909
 ASSI {  964}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HN  "))
      4.300     2.300     2.300 peak   964 weight  0.10000E+01 volume  0.22840E+04 ppm1      7.651 ppm2      7.903
 ASSI {  965}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HN  "))
      4.400     2.400     2.400 peak   965 weight  0.10000E+01 volume  0.19450E+04 ppm1      8.326 ppm2      8.690




REMARKS distance restraints from ambiguous NOEs
REMARKS used with AVERage SUM POTEntial SOFT OREXponent 6




 ASSI {    5}
   (( segid "    " and resid "7   " and name "HA  "))
   (( segid "    " and resid "8   " and name "HN  "))
      6.000     6.000     1.000 peak     5 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.140 ppm2      8.705
 OR {    5}
   (( segid "    " and resid "34  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HN  "))
 OR {    5}
   (( segid "    " and resid "8   " and name "HA  "))
   (( segid "    " and resid "8   " and name "HN  "))
 OR {    5}
   (( segid "    " and resid "31  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HN  "))
 ASSI {   31}
   (( segid "    " and resid "2   " and name "HB2 "))
   (( segid "    " and resid "2   " and name "HN  "))
      3.100     1.200     1.200 peak    31 weight  0.10000E+01 volume  0.90810E+05 ppm1      1.849 ppm2      8.848
 OR {   31}
   (( segid "    " and resid "15  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HN  "))
 OR {   31}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HN  "))
 ASSI {   59}
   (( segid "    " and resid "2   " and name "HE  "))
   (( segid "    " and resid "2   " and name "HN  "))
      4.900     3.000     2.100 peak    59 weight  0.10000E+01 volume  0.59300E+04 ppm1      7.240 ppm2      8.848
 OR {   59}
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
   (( segid "    " and resid "14  " and name "HN  "))
 OR {   59}
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
   (( segid "    " and resid "14  " and name "HN  "))
 ASSI {   86}
   (( segid "    " and resid "4   " and name "HA  "))
   (( segid "    " and resid "4   " and name "HN  "))
      6.000     6.000     1.000 peak    86 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.488 ppm2      8.535
 OR {   86}
   (( segid "    " and resid "3   " and name "HA  "))
   (( segid "    " and resid "4   " and name "HN  "))
 ASSI {   94}
   (( segid "    " and resid "3   " and name "HB3 "))
   (( segid "    " and resid "4   " and name "HN  "))
      2.900     1.100     1.100 peak    94 weight  0.10000E+01 volume  0.13260E+06 ppm1      3.880 ppm2      8.535
 OR {   94}
   (( segid "    " and resid "4   " and name "HB3 "))
   (( segid "    " and resid "4   " and name "HN  "))
 ASSI {  101}
   (( segid "    " and resid "5   " and name "HA  "))
   (( segid "    " and resid "6   " and name "HN  "))
      6.000     6.000     1.000 peak   101 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      8.361
 OR {  101}
   (( segid "    " and resid "6   " and name "HA  "))
   (( segid "    " and resid "6   " and name "HN  "))
 OR {  101}
   (( segid "    " and resid "5   " and name "HA  "))
   (( segid "    " and resid "5   " and name "HN  "))
 ASSI {  104}
   (( segid "    " and resid "5   " and name "HB2 ")
     OR 
    ( segid "    " and resid "5   " and name "HB3 ")
     OR 
    ( segid "    " and resid "5   " and name "HB1 "))
   (( segid "    " and resid "6   " and name "HN  "))
      6.000     6.000     1.000 peak   104 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.352 ppm2      8.361
 OR {  104}
   (( segid "    " and resid "5   " and name "HB2 ")
     OR 
    ( segid "    " and resid "5   " and name "HB3 ")
     OR 
    ( segid "    " and resid "5   " and name "HB1 "))
   (( segid "    " and resid "5   " and name "HN  "))
 ASSI {  246}
   (( segid "    " and resid "8   " and name "HG2 "))
   (( segid "    " and resid "9   " and name "HN  "))
      6.000     6.000     1.000 peak   246 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.398 ppm2      8.246
 OR {  246}
   (( segid "    " and resid "9   " and name "HB2 "))
   (( segid "    " and resid "9   " and name "HN  "))
 ASSI {  296}
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
   (( segid "    " and resid "10  " and name "HN  "))
      3.400     1.400     1.400 peak   296 weight  0.10000E+01 volume  0.49760E+05 ppm1      0.753 ppm2      7.925
 OR {  296}
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
   (( segid "    " and resid "10  " and name "HN  "))
 OR {  296}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "22  " and name "HN  "))
 ASSI {  524}
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "16  " and name "HN  "))
      6.000     6.000     1.000 peak   524 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.075 ppm2      7.775
 OR {  524}
   (( segid "    " and resid "27  " and name "HA1 "))
   (( segid "    " and resid "28  " and name "HN  "))
 ASSI {  565}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "31  " and name "HN  "))
      6.000     6.000     1.000 peak   565 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      7.673
 OR {  565}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "17  " and name "HN  "))
 ASSI {  572}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "17  " and name "HN  "))
      3.200     1.300     1.300 peak   572 weight  0.10000E+01 volume  0.73290E+05 ppm1      0.524 ppm2      7.673
 OR {  572}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "31  " and name "HN  "))
 ASSI {  593}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "18  " and name "HN  "))
      3.000     1.100     1.100 peak   593 weight  0.10000E+01 volume  0.11220E+06 ppm1      0.419 ppm2      7.529
 OR {  593}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "18  " and name "HN  "))
 ASSI {  600}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "18  " and name "HN  "))
      2.900     1.100     1.100 peak   600 weight  0.10000E+01 volume  0.15090E+06 ppm1      0.485 ppm2      7.529
 OR {  600}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
 ASSI {  676}
   (( segid "    " and resid "45  " and name "HD3 "))
   (( segid "    " and resid "45  " and name "HN  "))
      3.800     1.800     1.800 peak   676 weight  0.10000E+01 volume  0.28150E+05 ppm1      1.710 ppm2      8.222
 OR {  676}
   (( segid "    " and resid "69  " and name "HB3 "))
   (( segid "    " and resid "19  " and name "HN  "))
 OR {  676}
   (( segid "    " and resid "69  " and name "HB2 "))
   (( segid "    " and resid "19  " and name "HN  "))
 OR {  676}
   (( segid "    " and resid "19  " and name "HD3 "))
   (( segid "    " and resid "19  " and name "HN  "))
 OR {  676}
   (( segid "    " and resid "19  " and name "HD2 "))
   (( segid "    " and resid "19  " and name "HN  "))
 ASSI {  707}
   (( segid "    " and resid "64  " and name "HG3 "))
   (( segid "    " and resid "62  " and name "HN  "))
      2.900     1.100     1.100 peak   707 weight  0.10000E+01 volume  0.12780E+06 ppm1      2.091 ppm2      7.422
 OR {  707}
   (( segid "    " and resid "20  " and name "HB3 "))
   (( segid "    " and resid "20  " and name "HN  "))
 ASSI {  729}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "21  " and name "HN  "))
      6.000     6.000     1.000 peak   729 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.220 ppm2      7.920
 OR {  729}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "22  " and name "HN  "))
 ASSI {  735}
   (( segid "    " and resid "21  " and name "HB3 "))
   (( segid "    " and resid "21  " and name "HN  "))
      6.000     6.000     1.000 peak   735 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.976 ppm2      7.920
 OR {  735}
   (( segid "    " and resid "21  " and name "HB3 "))
   (( segid "    " and resid "22  " and name "HN  "))
 ASSI {  741}
   (( segid "    " and resid "21  " and name "HG2 "))
   (( segid "    " and resid "21  " and name "HN  "))
      6.000     6.000     1.000 peak   741 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.427 ppm2      7.920
 OR {  741}
   (( segid "    " and resid "9   " and name "HB2 "))
   (( segid "    " and resid "10  " and name "HN  "))
 ASSI {  785}
   (( segid "    " and resid "22  " and name "HG2 "))
   (( segid "    " and resid "22  " and name "HN  "))
      2.800     1.000     1.000 peak   785 weight  0.10000E+01 volume  0.16060E+06 ppm1      0.648 ppm2      7.924
 OR {  785}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "22  " and name "HN  "))
 ASSI {  801}
   (( segid "    " and resid "22  " and name "HD3 "))
   (( segid "    " and resid "22  " and name "HN  "))
      6.000     6.000     1.000 peak   801 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.374 ppm2      7.924
 OR {  801}
   (( segid "    " and resid "22  " and name "HD2 "))
   (( segid "    " and resid "22  " and name "HN  "))
 OR {  801}
   (( segid "    " and resid "22  " and name "HD3 "))
   (( segid "    " and resid "21  " and name "HN  "))
 ASSI {  835}
   (( segid "    " and resid "59  " and name "HD3 "))
   (( segid "    " and resid "59  " and name "HE  "))
      6.000     6.000     1.000 peak   835 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.054 ppm2      7.275
 OR {  835}
   (( segid "    " and resid "59  " and name "HD2 "))
   (( segid "    " and resid "59  " and name "HE  "))
 OR {  835}
   (( segid "    " and resid "23  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
 ASSI {  843}
   (( segid "    " and resid "28  " and name "HB3 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      6.000     6.000     1.000 peak   843 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.386 ppm2      7.422
 OR {  843}
   (( segid "    " and resid "23  " and name "HB3 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
 ASSI {  844}
   (( segid "    " and resid "28  " and name "HB3 "))
   (( segid "    " and resid "23  " and name "HZ  "))
      6.000     6.000     1.000 peak   844 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.386 ppm2      7.357
 OR {  844}
   (( segid "    " and resid "23  " and name "HB3 "))
   (( segid "    " and resid "23  " and name "HZ  "))
 ASSI { 1013}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "30  " and name "HN  "))
      2.500     2.500     4.500 peak  1013 weight  0.10000E+01 volume  0.30480E+06 ppm1      0.806 ppm2      8.132
 OR { 1013}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "33  " and name "HN  "))
 ASSI { 1043}
   (( segid "    " and resid "33  " and name "HA  "))
   (( segid "    " and resid "33  " and name "HN  "))
      6.000     6.000     1.000 peak  1043 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.216 ppm2      8.135
 OR { 1043}
   (( segid "    " and resid "32  " and name "HA  "))
   (( segid "    " and resid "33  " and name "HN  "))
 ASSI { 1093}
   (( segid "    " and resid "7   " and name "HA  "))
   (( segid "    " and resid "8   " and name "HN  "))
      6.000     6.000     1.000 peak  1093 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.141 ppm2      8.716
 OR { 1093}
   (( segid "    " and resid "34  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HN  "))
 OR { 1093}
   (( segid "    " and resid "8   " and name "HA  "))
   (( segid "    " and resid "8   " and name "HN  "))
 OR { 1093}
   (( segid "    " and resid "31  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HN  "))
 ASSI { 1109}
   (( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "34  " and name "HN  "))
      6.000     6.000     1.000 peak  1109 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.041 ppm2      8.716
 OR { 1109}
   (( segid "    " and resid "6   " and name "HB2 "))
   (( segid "    " and resid "8   " and name "HN  "))
 ASSI { 1115}
   (( segid "    " and resid "34  " and name "HB3 "))
   (( segid "    " and resid "34  " and name "HE21"))
      4.600     2.600     2.400 peak  1115 weight  0.10000E+01 volume  0.93300E+04 ppm1      2.041 ppm2      7.202
 OR { 1115}
   (( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "34  " and name "HE21"))
 ASSI { 1125}
   (( segid "    " and resid "34  " and name "HG3 "))
   (( segid "    " and resid "34  " and name "HN  "))
      2.700     0.900     0.900 peak  1125 weight  0.10000E+01 volume  0.20220E+06 ppm1      2.495 ppm2      8.716
 OR { 1125}
   (( segid "    " and resid "9   " and name "HG3 "))
   (( segid "    " and resid "8   " and name "HN  "))
 OR { 1125}
   (( segid "    " and resid "35  " and name "HG2 "))
   (( segid "    " and resid "34  " and name "HN  "))
 ASSI { 1167}
   (( segid "    " and resid "35  " and name "HB3 "))
   (( segid "    " and resid "35  " and name "HN  "))
      6.000     6.000     1.000 peak  1167 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.240 ppm2      8.332
 OR { 1167}
   (( segid "    " and resid "36  " and name "HB3 "))
   (( segid "    " and resid "35  " and name "HN  "))
 ASSI { 1195}
   (( segid "    " and resid "35  " and name "HG2 "))
   (( segid "    " and resid "36  " and name "HN  "))
      2.400     2.400     4.600 peak  1195 weight  0.10000E+01 volume  0.40580E+06 ppm1      2.483 ppm2      7.384
 OR { 1195}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HN  "))
 ASSI { 1245}
   (( segid "    " and resid "28  " and name "HG3 "))
   (( segid "    " and resid "29  " and name "HN  "))
      6.000     6.000     1.000 peak  1245 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.581 ppm2      7.255
 OR { 1245}
   (( segid "    " and resid "28  " and name "HG2 "))
   (( segid "    " and resid "29  " and name "HN  "))
 OR { 1245}
   (( segid "    " and resid "38  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
 ASSI { 1302}
   (( segid "    " and resid "40  " and name "HB3 "))
   (( segid "    " and resid "40  " and name "HN  "))
      2.900     1.100     1.100 peak  1302 weight  0.10000E+01 volume  0.15400E+06 ppm1      2.820 ppm2      8.778
 OR { 1302}
   (( segid "    " and resid "60  " and name "HB3 "))
   (( segid "    " and resid "66  " and name "HN  "))
 ASSI { 1314}
   (( segid "    " and resid "40  " and name "HD22"))
   (( segid "    " and resid "40  " and name "HN  "))
      4.700     2.800     2.300 peak  1314 weight  0.10000E+01 volume  0.77070E+04 ppm1      6.860 ppm2      8.778
 OR { 1314}
   (( segid "    " and resid "57  " and name "HE  "))
   (( segid "    " and resid "66  " and name "HN  "))
 ASSI { 1497}
   (( segid "    " and resid "45  " and name "HD3 "))
   (( segid "    " and resid "45  " and name "HN  "))
      3.300     1.400     1.400 peak  1497 weight  0.10000E+01 volume  0.59720E+05 ppm1      1.684 ppm2      8.213
 OR { 1497}
   (( segid "    " and resid "69  " and name "HB3 "))
   (( segid "    " and resid "19  " and name "HN  "))
 OR { 1497}
   (( segid "    " and resid "69  " and name "HB2 "))
   (( segid "    " and resid "19  " and name "HN  "))
 OR { 1497}
   (( segid "    " and resid "19  " and name "HD3 "))
   (( segid "    " and resid "19  " and name "HN  "))
 OR { 1497}
   (( segid "    " and resid "19  " and name "HD2 "))
   (( segid "    " and resid "19  " and name "HN  "))
 ASSI { 1536}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "46  " and name "HN  "))
      3.200     1.300     1.300 peak  1536 weight  0.10000E+01 volume  0.79400E+05 ppm1      0.949 ppm2      7.848
 OR { 1536}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "46  " and name "HN  "))
 ASSI { 1564}
   (( segid "    " and resid "47  " and name "HB2 "))
   (( segid "    " and resid "48  " and name "HN  "))
      6.000     6.000     1.000 peak  1564 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.097 ppm2      7.657
 OR { 1564}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "48  " and name "HN  "))
 OR { 1564}
   (( segid "    " and resid "51  " and name "HA  "))
   (( segid "    " and resid "51  " and name "HN  "))
 OR { 1564}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "51  " and name "HN  "))
 ASSI { 1581}
   (( segid "    " and resid "48  " and name "HB2 "))
   (( segid "    " and resid "48  " and name "HE  "))
      6.000     6.000     1.000 peak  1581 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.931 ppm2      7.188
 OR { 1581}
   (( segid "    " and resid "41  " and name "HB  "))
   (( segid "    " and resid "34  " and name "HE21"))
 ASSI { 1666}
   (( segid "    " and resid "49  " and name "HG3 "))
   (( segid "    " and resid "49  " and name "HN  "))
      6.000     6.000     1.000 peak  1666 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.059 ppm2      7.933
 OR { 1666}
   (( segid "    " and resid "46  " and name "HB  "))
   (( segid "    " and resid "49  " and name "HN  "))
 ASSI { 1696}
   (( segid "    " and resid "6   " and name "HB3 "))
   (( segid "    " and resid "8   " and name "HN  "))
      2.300     0.700     0.700 peak  1696 weight  0.10000E+01 volume  0.59480E+06 ppm1      1.890 ppm2      8.704
 OR { 1696}
   (( segid "    " and resid "50  " and name "HG  "))
   (( segid "    " and resid "50  " and name "HN  "))
 ASSI { 1716}
   (( segid "    " and resid "51  " and name "HB  "))
   (( segid "    " and resid "51  " and name "HN  "))
      6.000     6.000     1.000 peak  1716 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.169 ppm2      7.644
 OR { 1716}
   (( segid "    " and resid "34  " and name "HA  "))
   (( segid "    " and resid "38  " and name "HN  "))
 ASSI { 1720}
   (( segid "    " and resid "51  " and name "HG21")
     OR 
    ( segid "    " and resid "51  " and name "HG23")
     OR 
    ( segid "    " and resid "51  " and name "HG22"))
   (( segid "    " and resid "51  " and name "HN  "))
      3.100     1.200     1.200 peak  1720 weight  0.10000E+01 volume  0.10140E+06 ppm1      1.255 ppm2      7.644
 OR { 1720}
   (( segid "    " and resid "33  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HN  "))
 ASSI { 1850}
   (( segid "    " and resid "14  " and name "HB3 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      4.700     2.800     2.300 peak  1850 weight  0.10000E+01 volume  0.77240E+04 ppm1      2.880 ppm2      7.228
 OR { 1850}
   (( segid "    " and resid "53  " and name "HB3 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
 ASSI { 1885}
   (( segid "    " and resid "55  " and name "HA  "))
   (( segid "    " and resid "55  " and name "HN  "))
      2.700     0.900     0.900 peak  1885 weight  0.10000E+01 volume  0.22860E+06 ppm1      4.588 ppm2      8.120
 OR { 1885}
   (( segid "    " and resid "39  " and name "HA  "))
   (( segid "    " and resid "41  " and name "HN  "))
 ASSI { 1901}
   (( segid "    " and resid "56  " and name "HB  "))
   (( segid "    " and resid "56  " and name "HN  "))
      6.000     6.000     1.000 peak  1901 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.136 ppm2      8.552
 OR { 1901}
   (( segid "    " and resid "70  " and name "HG3 "))
   (( segid "    " and resid "56  " and name "HN  "))
 ASSI { 1906}
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
   (( segid "    " and resid "56  " and name "HN  "))
      2.800     1.000     1.000 peak  1906 weight  0.10000E+01 volume  0.16640E+06 ppm1      0.971 ppm2      8.552
 OR { 1906}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "56  " and name "HN  "))
 ASSI { 1970}
   (( segid "    " and resid "36  " and name "HG2 "))
   (( segid "    " and resid "35  " and name "HN  "))
      4.100     2.100     2.100 peak  1970 weight  0.10000E+01 volume  0.17390E+05 ppm1      2.799 ppm2      8.323
 OR { 1970}
   (( segid "    " and resid "57  " and name "HD2 "))
   (( segid "    " and resid "57  " and name "HN  "))
 ASSI { 2055}
   (( segid "    " and resid "59  " and name "HE  "))
   (( segid "    " and resid "59  " and name "HN  "))
      4.000     2.000     2.000 peak  2055 weight  0.10000E+01 volume  0.18970E+05 ppm1      7.261 ppm2      7.986
 OR { 2055}
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
   (( segid "    " and resid "25  " and name "HN  "))
 OR { 2055}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HN  "))
 OR { 2055}
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
   (( segid "    " and resid "11  " and name "HN  "))
 ASSI { 2101}
   (( segid "    " and resid "62  " and name "HB2 "))
   (( segid "    " and resid "62  " and name "HN  "))
      2.900     1.100     1.100 peak  2101 weight  0.10000E+01 volume  0.14300E+06 ppm1      2.061 ppm2      7.420
 OR { 2101}
   (( segid "    " and resid "17  " and name "HG  "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
 ASSI { 2129}
   (( segid "    " and resid "62  " and name "HE2 "))
   (( segid "    " and resid "62  " and name "HN  "))
      3.500     1.500     1.500 peak  2129 weight  0.10000E+01 volume  0.42720E+05 ppm1      2.950 ppm2      7.420
 OR { 2129}
   (( segid "    " and resid "62  " and name "HE3 "))
   (( segid "    " and resid "62  " and name "HN  "))
 OR { 2129}
   (( segid "    " and resid "19  " and name "HE3 "))
   (( segid "    " and resid "20  " and name "HN  "))
 ASSI { 2226}
   (( segid "    " and resid "6   " and name "HG2 "))
   (( segid "    " and resid "7   " and name "HN  "))
      2.900     1.100     1.100 peak  2226 weight  0.10000E+01 volume  0.14850E+06 ppm1      1.601 ppm2      8.531
 OR { 2226}
   (( segid "    " and resid "65  " and name "HB3 "))
   (( segid "    " and resid "65  " and name "HN  "))
 ASSI { 2254}
   (( segid "    " and resid "65  " and name "HE2 ")
     OR 
    ( segid "    " and resid "65  " and name "HE3 ")
     OR 
    ( segid "    " and resid "65  " and name "HE1 "))
   (( segid "    " and resid "66  " and name "HN  "))
      3.000     1.100     1.100 peak  2254 weight  0.10000E+01 volume  0.10400E+06 ppm1      1.834 ppm2      8.777
 OR { 2254}
   (( segid "    " and resid "66  " and name "HB  "))
   (( segid "    " and resid "66  " and name "HN  "))
 ASSI { 2286}
   (( segid "    " and resid "57  " and name "HD3 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.100     1.200     1.200 peak  2286 weight  0.10000E+01 volume  0.10230E+06 ppm1      2.687 ppm2      6.594
 OR { 2286}
   (( segid "    " and resid "67  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
 ASSI { 2464}
   (( segid "    " and resid "73  " and name "HD12")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD11"))
   (( segid "    " and resid "73  " and name "HN  "))
      3.300     1.400     1.400 peak  2464 weight  0.10000E+01 volume  0.62560E+05 ppm1      0.956 ppm2      8.330
 OR { 2464}
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
   (( segid "    " and resid "57  " and name "HN  "))
 OR { 2464}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "73  " and name "HN  "))
 ASSI { 2507}
   (( segid "    " and resid "75  " and name "HG22")
     OR 
    ( segid "    " and resid "75  " and name "HG23")
     OR 
    ( segid "    " and resid "75  " and name "HG21"))
   (( segid "    " and resid "75  " and name "HN  "))
      3.100     1.200     1.200 peak  2507 weight  0.10000E+01 volume  0.90350E+05 ppm1      0.926 ppm2      7.941
 OR { 2507}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "49  " and name "HN  "))
 ASSI {   38}
   (( segid "    " and resid "5   " and name "HA  "))
   (( segid "    " and resid "6   " and name "HN  "))
      6.000     6.000     1.000 peak    38 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      8.359
 OR {   38}
   (( segid "    " and resid "6   " and name "HA  "))
   (( segid "    " and resid "6   " and name "HN  "))
 OR {   38}
   (( segid "    " and resid "5   " and name "HA  "))
   (( segid "    " and resid "5   " and name "HN  "))
 ASSI {   46}
   (( segid "    " and resid "6   " and name "HA  "))
   (( segid "    " and resid "7   " and name "HN  "))
      6.000     6.000     1.000 peak    46 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.338 ppm2      8.518
 OR {   46}
   (( segid "    " and resid "64  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HN  "))
 ASSI {   49}
   (( segid "    " and resid "6   " and name "HB3 "))
   (( segid "    " and resid "7   " and name "HN  "))
      6.000     6.000     1.000 peak    49 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.869 ppm2      8.518
 OR {   49}
   (( segid "    " and resid "64  " and name "HB2 "))
   (( segid "    " and resid "65  " and name "HN  "))
 ASSI {   68}
   (( segid "    " and resid "8   " and name "HB2 "))
   (( segid "    " and resid "9   " and name "HN  "))
      2.600     0.800     0.800 peak    68 weight  0.10000E+01 volume  0.25530E+06 ppm1      2.130 ppm2      8.246
 OR {   68}
   (( segid "    " and resid "8   " and name "HB3 "))
   (( segid "    " and resid "9   " and name "HN  "))
 OR {   68}
   (( segid "    " and resid "7   " and name "HB3 "))
   (( segid "    " and resid "9   " and name "HN  "))
 OR {   68}
   (( segid "    " and resid "11  " and name "HB  "))
   (( segid "    " and resid "9   " and name "HN  "))
 ASSI {   70}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "14  " and name "HN  "))
      5.800     4.200     1.200 peak    70 weight  0.10000E+01 volume  0.22230E+04 ppm1      8.246 ppm2      8.834
 OR {   70}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HN  "))
 ASSI {   86}
   (( segid "    " and resid "65  " and name "HE2 ")
     OR 
    ( segid "    " and resid "65  " and name "HE3 ")
     OR 
    ( segid "    " and resid "65  " and name "HE1 "))
   (( segid "    " and resid "59  " and name "HN  "))
      6.000     6.000     1.000 peak    86 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.834 ppm2      7.993
 OR {   86}
   (( segid "    " and resid "10  " and name "HB2 "))
   (( segid "    " and resid "11  " and name "HN  "))
 ASSI {  168}
   (( segid "    " and resid "17  " and name "HG  "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      2.900     1.100     1.100 peak   168 weight  0.10000E+01 volume  0.13570E+06 ppm1      2.022 ppm2      7.422
 OR {  168}
   (( segid "    " and resid "19  " and name "HB2 "))
   (( segid "    " and resid "20  " and name "HN  "))
 ASSI {  169}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      3.600     1.600     1.600 peak   169 weight  0.10000E+01 volume  0.38530E+05 ppm1      1.936 ppm2      7.422
 OR {  169}
   (( segid "    " and resid "19  " and name "HB3 "))
   (( segid "    " and resid "20  " and name "HN  "))
 ASSI {  176}
   (( segid "    " and resid "20  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HN  "))
      6.000     6.000     1.000 peak   176 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.090 ppm2      7.920
 OR {  176}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "49  " and name "HN  "))
 ASSI {  179}
   (( segid "    " and resid "7   " and name "HB3 "))
   (( segid "    " and resid "10  " and name "HN  "))
      6.000     6.000     1.000 peak   179 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.091 ppm2      7.920
 OR {  179}
   (( segid "    " and resid "20  " and name "HB3 "))
   (( segid "    " and resid "21  " and name "HN  "))
 OR {  179}
   (( segid "    " and resid "20  " and name "HB3 "))
   (( segid "    " and resid "22  " and name "HN  "))
 ASSI {  209}
   (( segid "    " and resid "23  " and name "HB3 "))
   (( segid "    " and resid "24  " and name "HN  "))
      4.200     2.200     2.200 peak   209 weight  0.10000E+01 volume  0.14600E+05 ppm1      2.386 ppm2      9.548
 OR {  209}
   (( segid "    " and resid "28  " and name "HB3 "))
   (( segid "    " and resid "24  " and name "HN  "))
 ASSI {  255}
   (( segid "    " and resid "28  " and name "HA  "))
   (( segid "    " and resid "29  " and name "HN  "))
      2.700     0.900     0.900 peak   255 weight  0.10000E+01 volume  0.21160E+06 ppm1      4.194 ppm2      7.260
 OR {  255}
   (( segid "    " and resid "33  " and name "HA  "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
 ASSI {  257}
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "29  " and name "HN  "))
      6.000     6.000     1.000 peak   257 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.488 ppm2      7.260
 OR {  257}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
 ASSI {  258}
   (( segid "    " and resid "9   " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      6.000     6.000     1.000 peak   258 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.406 ppm2      7.260
 OR {  258}
   (( segid "    " and resid "28  " and name "HB3 "))
   (( segid "    " and resid "29  " and name "HN  "))
 ASSI {  265}
   (( segid "    " and resid "29  " and name "HA  "))
   (( segid "    " and resid "30  " and name "HN  "))
      2.900     1.100     1.100 peak   265 weight  0.10000E+01 volume  0.14890E+06 ppm1      3.150 ppm2      8.132
 OR {  265}
   (( segid "    " and resid "29  " and name "HA  "))
   (( segid "    " and resid "33  " and name "HN  "))
 ASSI {  267}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "30  " and name "HN  "))
      2.400     2.400     4.600 peak   267 weight  0.10000E+01 volume  0.46210E+06 ppm1      1.959 ppm2      8.132
 OR {  267}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "30  " and name "HN  "))
 OR {  267}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "33  " and name "HN  "))
 ASSI {  298}
   (( segid "    " and resid "33  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HN  "))
      3.000     1.100     1.100 peak   298 weight  0.10000E+01 volume  0.11990E+06 ppm1      4.216 ppm2      8.716
 OR {  298}
   (( segid "    " and resid "32  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HN  "))
 ASSI {  300}
   (( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "34  " and name "HN  "))
      6.000     6.000     1.000 peak   300 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.023 ppm2      8.716
 OR {  300}
   (( segid "    " and resid "6   " and name "HB2 "))
   (( segid "    " and resid "8   " and name "HN  "))
 ASSI {  308}
   (( segid "    " and resid "34  " and name "HA  "))
   (( segid "    " and resid "35  " and name "HN  "))
      6.000     6.000     1.000 peak   308 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.141 ppm2      8.332
 OR {  308}
   (( segid "    " and resid "31  " and name "HA  "))
   (( segid "    " and resid "35  " and name "HN  "))
 ASSI {  338}
   (( segid "    " and resid "51  " and name "HA  "))
   (( segid "    " and resid "51  " and name "HN  "))
      6.000     6.000     1.000 peak   338 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.093 ppm2      7.639
 OR {  338}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "51  " and name "HN  "))
 OR {  338}
   (( segid "    " and resid "37  " and name "HA1 "))
   (( segid "    " and resid "38  " and name "HN  "))
 ASSI {  370}
   (( segid "    " and resid "53  " and name "HB3 "))
   (( segid "    " and resid "55  " and name "HN  "))
      3.100     1.200     1.200 peak   370 weight  0.10000E+01 volume  0.10150E+06 ppm1      2.868 ppm2      8.108
 OR {  370}
   (( segid "    " and resid "40  " and name "HB2 "))
   (( segid "    " and resid "41  " and name "HN  "))
 ASSI {  432}
   (( segid "    " and resid "47  " and name "HA  "))
   (( segid "    " and resid "48  " and name "HN  "))
      6.000     6.000     1.000 peak   432 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.823 ppm2      7.657
 OR {  432}
   (( segid "    " and resid "47  " and name "HA  "))
   (( segid "    " and resid "51  " and name "HN  "))
 ASSI {  434}
   (( segid "    " and resid "47  " and name "HB2 "))
   (( segid "    " and resid "48  " and name "HN  "))
      6.000     6.000     1.000 peak   434 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.083 ppm2      7.657
 OR {  434}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "48  " and name "HN  "))
 OR {  434}
   (( segid "    " and resid "51  " and name "HA  "))
   (( segid "    " and resid "51  " and name "HN  "))
 OR {  434}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "51  " and name "HN  "))
 ASSI {  440}
   (( segid "    " and resid "20  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HN  "))
      6.000     6.000     1.000 peak   440 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.097 ppm2      7.933
 OR {  440}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "49  " and name "HN  "))
 ASSI {  460}
   (( segid "    " and resid "50  " and name "HA  "))
   (( segid "    " and resid "51  " and name "HN  "))
      6.000     6.000     1.000 peak   460 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      7.644
 OR {  460}
   (( segid "    " and resid "45  " and name "HA  "))
   (( segid "    " and resid "48  " and name "HN  "))
 ASSI {  470}
   (( segid "    " and resid "51  " and name "HA  "))
   (( segid "    " and resid "52  " and name "HN  "))
      6.000     6.000     1.000 peak   470 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.097 ppm2      8.348
 OR {  470}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "52  " and name "HN  "))
 ASSI {  498}
   (( segid "    " and resid "54  " and name "HA1 "))
   (( segid "    " and resid "55  " and name "HN  "))
      3.900     1.900     1.900 peak   498 weight  0.10000E+01 volume  0.23140E+05 ppm1      4.101 ppm2      8.120
 OR {  498}
   (( segid "    " and resid "51  " and name "HA  "))
   (( segid "    " and resid "55  " and name "HN  "))
 ASSI {  585}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HN  "))
      2.600     0.800     0.800 peak   585 weight  0.10000E+01 volume  0.29640E+06 ppm1      8.010 ppm2      8.252
 OR {  585}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HN  "))
 ASSI {  592}
   (( segid "    " and resid "6   " and name "HB3 "))
   (( segid "    " and resid "7   " and name "HN  "))
      6.000     6.000     1.000 peak   592 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      8.531
 OR {  592}
   (( segid "    " and resid "64  " and name "HB2 "))
   (( segid "    " and resid "65  " and name "HN  "))
 OR {  592}
   (( segid "    " and resid "65  " and name "HE2 ")
     OR 
    ( segid "    " and resid "65  " and name "HE3 ")
     OR 
    ( segid "    " and resid "65  " and name "HE1 "))
   (( segid "    " and resid "65  " and name "HN  "))
 ASSI {  593}
   (( segid "    " and resid "6   " and name "HD3 "))
   (( segid "    " and resid "7   " and name "HN  "))
      6.000     6.000     1.000 peak   593 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.746 ppm2      8.531
 OR {  593}
   (( segid "    " and resid "59  " and name "HB3 "))
   (( segid "    " and resid "65  " and name "HN  "))
 OR {  593}
   (( segid "    " and resid "64  " and name "HB3 "))
   (( segid "    " and resid "65  " and name "HN  "))
 OR {  593}
   (( segid "    " and resid "6   " and name "HD2 "))
   (( segid "    " and resid "7   " and name "HN  "))
 ASSI {  659}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HN  "))
      6.000     6.000     1.000 peak   659 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.330 ppm2      8.465
 OR {  659}
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HN  "))
 OR {  659}
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HN  "))
 ASSI {  666}
   (( segid "    " and resid "73  " and name "HB3 "))
   (( segid "    " and resid "74  " and name "HN  "))
      3.700     1.700     1.700 peak   666 weight  0.10000E+01 volume  0.32860E+05 ppm1      1.633 ppm2      8.467
 OR {  666}
   (( segid "    " and resid "73  " and name "HB3 "))
   (( segid "    " and resid "72  " and name "HN  "))
 ASSI { 2832}
   (( segid "    " and resid "43  " and name "HE22"))
   (( segid "    " and resid "27  " and name "HN  "))
      4.200     2.200     2.200 peak  2832 weight  0.10000E+01 volume  0.14460E+05 ppm1      6.901 ppm2      9.069
 OR { 2832}
   (( segid "    " and resid "26  " and name "HE21"))
   (( segid "    " and resid "27  " and name "HN  "))
 ASSI { 2833}
   (( segid "    " and resid "43  " and name "HE22"))
   (( segid "    " and resid "43  " and name "HN  "))
      5.200     3.400     1.800 peak  2833 weight  0.10000E+01 volume  0.40670E+04 ppm1      6.902 ppm2      9.102
 OR { 2833}
   (( segid "    " and resid "57  " and name "HE  "))
   (( segid "    " and resid "68  " and name "HN  "))
 ASSI { 2837}
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
   (( segid "    " and resid "47  " and name "HN  "))
      5.500     3.800     1.500 peak  2837 weight  0.10000E+01 volume  0.31430E+04 ppm1      7.012 ppm2      8.854
 OR { 2837}
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
   (( segid "    " and resid "14  " and name "HN  "))
 ASSI { 2843}
   (( segid "    " and resid "42  " and name "HD21"))
   (( segid "    " and resid "43  " and name "HN  "))
      4.400     2.400     2.400 peak  2843 weight  0.10000E+01 volume  0.11640E+05 ppm1      7.620 ppm2      9.101
 OR { 2843}
   (( segid "    " and resid "43  " and name "HE21"))
   (( segid "    " and resid "43  " and name "HN  "))
 ASSI { 2846}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HN  "))
      5.300     3.500     1.700 peak  2846 weight  0.10000E+01 volume  0.36790E+04 ppm1      8.120 ppm2      9.101
 OR { 2846}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HN  "))
 OR { 2846}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HN  "))
 ASSI { 2869}
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
   (( segid "    " and resid "55  " and name "HN  "))
      5.000     3.100     2.000 peak  2869 weight  0.10000E+01 volume  0.54720E+04 ppm1      7.010 ppm2      8.121
 OR { 2869}
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
   (( segid "    " and resid "30  " and name "HN  "))
 ASSI { 2875}
   (( segid "    " and resid "59  " and name "HE  "))
   (( segid "    " and resid "65  " and name "HN  "))
      5.000     3.100     2.000 peak  2875 weight  0.10000E+01 volume  0.50650E+04 ppm1      7.255 ppm2      8.522
 OR { 2875}
   (( segid "    " and resid "2   " and name "HE  "))
   (( segid "    " and resid "4   " and name "HN  "))
 OR { 2875}
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
   (( segid "    " and resid "7   " and name "HN  "))
 ASSI { 2878}
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
   (( segid "    " and resid "15  " and name "HN  "))
      4.700     2.800     2.300 peak  2878 weight  0.10000E+01 volume  0.73460E+04 ppm1      7.519 ppm2      8.555
 OR { 2878}
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HN  "))
 ASSI { 2884}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HN  "))
      4.500     2.500     2.500 peak  2884 weight  0.10000E+01 volume  0.10450E+05 ppm1      8.220 ppm2      8.554
 OR { 2884}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HN  "))
 ASSI { 2886}
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
   (( segid "    " and resid "10  " and name "HN  "))
      2.800     1.000     1.000 peak  2886 weight  0.10000E+01 volume  0.16910E+06 ppm1      7.257 ppm2      7.926
 OR { 2886}
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
   (( segid "    " and resid "22  " and name "HN  "))
 ASSI { 2891}
   (( segid "    " and resid "7   " and name "HE21"))
   (( segid "    " and resid "10  " and name "HN  "))
      4.900     3.000     2.100 peak  2891 weight  0.10000E+01 volume  0.61250E+04 ppm1      7.505 ppm2      7.922
 OR { 2891}
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HN  "))
 OR { 2891}
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
   (( segid "    " and resid "49  " and name "HN  "))
 ASSI { 2897}
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
   (( segid "    " and resid "50  " and name "HN  "))
      5.200     3.400     1.800 peak  2897 weight  0.10000E+01 volume  0.40010E+04 ppm1      7.246 ppm2      8.700
 OR { 2897}
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
   (( segid "    " and resid "8   " and name "HN  "))
 ASSI { 2900}
   (( segid "    " and resid "55  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HN  "))
      3.600     1.600     1.600 peak  2900 weight  0.10000E+01 volume  0.37190E+05 ppm1      4.584 ppm2      9.106
 OR { 2900}
   (( segid "    " and resid "66  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HN  "))
 ASSI { 2913}
   (( segid "    " and resid "27  " and name "HA1 "))
   (( segid "    " and resid "26  " and name "HN  "))
      4.300     2.300     2.300 peak  2913 weight  0.10000E+01 volume  0.14000E+05 ppm1      4.069 ppm2      9.633
 OR { 2913}
   (( segid "    " and resid "47  " and name "HB3 "))
   (( segid "    " and resid "26  " and name "HN  "))
 ASSI { 2931}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "47  " and name "HN  "))
      3.500     1.500     1.500 peak  2931 weight  0.10000E+01 volume  0.48710E+05 ppm1      1.925 ppm2      8.852
 OR { 2931}
   (( segid "    " and resid "48  " and name "HB2 "))
   (( segid "    " and resid "47  " and name "HN  "))
 OR { 2931}
   (( segid "    " and resid "12  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HN  "))
 ASSI { 2932}
   (( segid "    " and resid "12  " and name "HG3 "))
   (( segid "    " and resid "14  " and name "HN  "))
      3.200     1.300     1.300 peak  2932 weight  0.10000E+01 volume  0.76650E+05 ppm1      1.407 ppm2      8.844
 OR { 2932}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "47  " and name "HN  "))
 OR { 2932}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "47  " and name "HN  "))
 ASSI { 2935}
   (( segid "    " and resid "5   " and name "HB2 ")
     OR 
    ( segid "    " and resid "5   " and name "HB3 ")
     OR 
    ( segid "    " and resid "5   " and name "HB1 "))
   (( segid "    " and resid "8   " and name "HN  "))
      4.900     3.000     2.100 peak  2935 weight  0.10000E+01 volume  0.56900E+04 ppm1      1.341 ppm2      8.700
 OR { 2935}
   (( segid "    " and resid "10  " and name "HB3 "))
   (( segid "    " and resid "8   " and name "HN  "))
 ASSI { 2945}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "47  " and name "HN  "))
      4.300     2.300     2.300 peak  2945 weight  0.10000E+01 volume  0.13590E+05 ppm1      0.854 ppm2      8.856
 OR { 2945}
   (( segid "    " and resid "11  " and name "HG22")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG21"))
   (( segid "    " and resid "14  " and name "HN  "))
 ASSI { 2954}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "68  " and name "HN  "))
      3.800     1.800     1.800 peak  2954 weight  0.10000E+01 volume  0.27220E+05 ppm1      0.463 ppm2      9.106
 OR { 2954}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "68  " and name "HN  "))
 ASSI { 2958}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "43  " and name "HN  "))
      3.700     1.700     1.700 peak  2958 weight  0.10000E+01 volume  0.31810E+05 ppm1      0.898 ppm2      9.103
 OR { 2958}
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
   (( segid "    " and resid "43  " and name "HN  "))
 ASSI { 2959}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "43  " and name "HN  "))
      3.400     1.400     1.400 peak  2959 weight  0.10000E+01 volume  0.51830E+05 ppm1      0.952 ppm2      9.101
 OR { 2959}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "68  " and name "HN  "))
 OR { 2959}
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
   (( segid "    " and resid "68  " and name "HN  "))
 ASSI { 2962}
   (( segid "    " and resid "10  " and name "HG  "))
   (( segid "    " and resid "14  " and name "HN  "))
      4.200     2.200     2.200 peak  2962 weight  0.10000E+01 volume  0.14990E+05 ppm1      1.096 ppm2      8.846
 OR { 2962}
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
   (( segid "    " and resid "14  " and name "HN  "))
 ASSI { 2966}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "34  " and name "HN  "))
      2.900     1.100     1.100 peak  2966 weight  0.10000E+01 volume  0.13540E+06 ppm1      0.935 ppm2      8.712
 OR { 2966}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "50  " and name "HN  "))
 ASSI { 2972}
   (( segid "    " and resid "23  " and name "HA  "))
   (( segid "    " and resid "25  " and name "HN  "))
      4.000     2.000     2.000 peak  2972 weight  0.10000E+01 volume  0.20700E+05 ppm1      4.743 ppm2      7.995
 OR { 2972}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HN  "))
 ASSI { 2973}
   (( segid "    " and resid "6   " and name "HA  "))
   (( segid "    " and resid "10  " and name "HN  "))
      4.600     2.600     2.400 peak  2973 weight  0.10000E+01 volume  0.92700E+04 ppm1      4.336 ppm2      7.924
 OR { 2973}
   (( segid "    " and resid "5   " and name "HA  "))
   (( segid "    " and resid "10  " and name "HN  "))
 OR { 2973}
   (( segid "    " and resid "64  " and name "HA  "))
   (( segid "    " and resid "22  " and name "HN  "))
 OR { 2973}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "22  " and name "HN  "))
 ASSI { 2978}
   (( segid "    " and resid "76  " and name "HA  "))
   (( segid "    " and resid "78  " and name "HN  "))
      3.700     1.700     1.700 peak  2978 weight  0.10000E+01 volume  0.33970E+05 ppm1      4.514 ppm2      7.837
 OR { 2978}
   (( segid "    " and resid "22  " and name "HA  "))
   (( segid "    " and resid "60  " and name "HD21"))
 ASSI { 2979}
   (( segid "    " and resid "21  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HN  "))
      3.600     1.600     1.600 peak  2979 weight  0.10000E+01 volume  0.35660E+05 ppm1      3.970 ppm2      8.323
 OR { 2979}
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HN  "))
 ASSI { 2982}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "30  " and name "HN  "))
      3.700     1.700     1.700 peak  2982 weight  0.10000E+01 volume  0.30900E+05 ppm1      3.797 ppm2      8.133
 OR { 2982}
   (( segid "    " and resid "70  " and name "HD3 "))
   (( segid "    " and resid "55  " and name "HN  "))
 ASSI { 2990}
   (( segid "    " and resid "15  " and name "HA  "))
   (( segid "    " and resid "19  " and name "HN  "))
      3.600     1.600     1.600 peak  2990 weight  0.10000E+01 volume  0.36240E+05 ppm1      3.433 ppm2      8.218
 OR { 2990}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "45  " and name "HN  "))
 ASSI { 2994}
   (( segid "    " and resid "38  " and name "HB2 "))
   (( segid "    " and resid "41  " and name "HN  "))
      4.600     2.600     2.400 peak  2994 weight  0.10000E+01 volume  0.82280E+04 ppm1      3.002 ppm2      8.106
 OR { 2994}
   (( segid "    " and resid "42  " and name "HB3 "))
   (( segid "    " and resid "41  " and name "HN  "))
 ASSI { 2997}
   (( segid "    " and resid "34  " and name "HG2 "))
   (( segid "    " and resid "41  " and name "HN  "))
      4.100     2.100     2.100 peak  2997 weight  0.10000E+01 volume  0.18740E+05 ppm1      2.603 ppm2      8.108
 OR { 2997}
   (( segid "    " and resid "38  " and name "HB3 "))
   (( segid "    " and resid "41  " and name "HN  "))
 ASSI { 2998}
   (( segid "    " and resid "34  " and name "HG2 "))
   (( segid "    " and resid "33  " and name "HN  "))
      4.200     2.200     2.200 peak  2998 weight  0.10000E+01 volume  0.14530E+05 ppm1      2.619 ppm2      8.136
 OR { 2998}
   (( segid "    " and resid "28  " and name "HG3 "))
   (( segid "    " and resid "30  " and name "HN  "))
 OR { 2998}
   (( segid "    " and resid "28  " and name "HG2 "))
   (( segid "    " and resid "30  " and name "HN  "))
 OR { 2998}
   (( segid "    " and resid "34  " and name "HG2 "))
   (( segid "    " and resid "30  " and name "HN  "))
 ASSI { 3003}
   (( segid "    " and resid "35  " and name "HG2 "))
   (( segid "    " and resid "33  " and name "HN  "))
      4.500     2.500     2.500 peak  3003 weight  0.10000E+01 volume  0.10310E+05 ppm1      2.491 ppm2      8.137
 OR { 3003}
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "30  " and name "HN  "))
 OR { 3003}
   (( segid "    " and resid "34  " and name "HG3 "))
   (( segid "    " and resid "33  " and name "HN  "))
 ASSI { 3007}
   (( segid "    " and resid "9   " and name "HG3 "))
   (( segid "    " and resid "6   " and name "HN  "))
      3.900     1.900     1.900 peak  3007 weight  0.10000E+01 volume  0.25030E+05 ppm1      2.513 ppm2      8.359
 OR { 3007}
   (( segid "    " and resid "9   " and name "HG2 "))
   (( segid "    " and resid "6   " and name "HN  "))
 OR { 3007}
   (( segid "    " and resid "9   " and name "HG3 "))
   (( segid "    " and resid "5   " and name "HN  "))
 ASSI { 3009}
   (( segid "    " and resid "23  " and name "HB3 "))
   (( segid "    " and resid "25  " and name "HN  "))
      3.100     1.200     1.200 peak  3009 weight  0.10000E+01 volume  0.88920E+05 ppm1      2.392 ppm2      7.994
 OR { 3009}
   (( segid "    " and resid "28  " and name "HB3 "))
   (( segid "    " and resid "25  " and name "HN  "))
 ASSI { 3015}
   (( segid "    " and resid "12  " and name "HB3 "))
   (( segid "    " and resid "11  " and name "HN  "))
      3.300     1.400     1.400 peak  3015 weight  0.10000E+01 volume  0.67430E+05 ppm1      1.908 ppm2      8.001
 OR { 3015}
   (( segid "    " and resid "12  " and name "HB2 "))
   (( segid "    " and resid "11  " and name "HN  "))
 OR { 3015}
   (( segid "    " and resid "65  " and name "HB2 "))
   (( segid "    " and resid "64  " and name "HN  "))
 ASSI { 3017}
   (( segid "    " and resid "61  " and name "HB2 ")
     OR 
    ( segid "    " and resid "61  " and name "HB3 ")
     OR 
    ( segid "    " and resid "61  " and name "HB1 "))
   (( segid "    " and resid "63  " and name "HN  "))
      4.900     3.000     2.100 peak  3017 weight  0.10000E+01 volume  0.56880E+04 ppm1      1.468 ppm2      8.248
 OR { 3017}
   (( segid "    " and resid "62  " and name "HG3 "))
   (( segid "    " and resid "63  " and name "HN  "))
 OR { 3017}
   (( segid "    " and resid "62  " and name "HG2 "))
   (( segid "    " and resid "63  " and name "HN  "))
 ASSI { 3018}
   (( segid "    " and resid "12  " and name "HG3 "))
   (( segid "    " and resid "11  " and name "HN  "))
      5.100     3.300     1.900 peak  3018 weight  0.10000E+01 volume  0.47390E+04 ppm1      1.405 ppm2      7.990
 OR { 3018}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "59  " and name "HN  "))
 OR { 3018}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "25  " and name "HN  "))
 ASSI { 3020}
   (( segid "    " and resid "5   " and name "HB2 ")
     OR 
    ( segid "    " and resid "5   " and name "HB3 ")
     OR 
    ( segid "    " and resid "5   " and name "HB1 "))
   (( segid "    " and resid "4   " and name "HN  "))
      3.700     1.700     1.700 peak  3020 weight  0.10000E+01 volume  0.32460E+05 ppm1      1.339 ppm2      8.523
 OR { 3020}
   (( segid "    " and resid "5   " and name "HB2 ")
     OR 
    ( segid "    " and resid "5   " and name "HB3 ")
     OR 
    ( segid "    " and resid "5   " and name "HB1 "))
   (( segid "    " and resid "7   " and name "HN  "))
 ASSI { 3021}
   (( segid "    " and resid "12  " and name "HD2 "))
   (( segid "    " and resid "9   " and name "HN  "))
      3.700     1.700     1.700 peak  3021 weight  0.10000E+01 volume  0.32660E+05 ppm1      1.730 ppm2      8.248
 OR { 3021}
   (( segid "    " and resid "59  " and name "HB2 "))
   (( segid "    " and resid "63  " and name "HN  "))
 ASSI { 3024}
   (( segid "    " and resid "75  " and name "HG22")
     OR 
    ( segid "    " and resid "75  " and name "HG23")
     OR 
    ( segid "    " and resid "75  " and name "HG21"))
   (( segid "    " and resid "74  " and name "HN  "))
      5.300     3.500     1.700 peak  3024 weight  0.10000E+01 volume  0.36010E+04 ppm1      0.952 ppm2      8.464
 OR { 3024}
   (( segid "    " and resid "73  " and name "HD12")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD11"))
   (( segid "    " and resid "74  " and name "HN  "))
 OR { 3024}
   (( segid "    " and resid "73  " and name "HD12")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD11"))
   (( segid "    " and resid "72  " and name "HN  "))
 OR { 3024}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "72  " and name "HN  "))
 ASSI { 3030}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "15  " and name "HN  "))
      4.300     2.300     2.300 peak  3030 weight  0.10000E+01 volume  0.13710E+05 ppm1      0.485 ppm2      8.553
 OR { 3030}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "56  " and name "HN  "))
 OR { 3030}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "56  " and name "HN  "))
 ASSI { 3032}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "56  " and name "HN  "))
      4.400     2.400     2.400 peak  3032 weight  0.10000E+01 volume  0.11190E+05 ppm1      0.425 ppm2      8.556
 OR { 3032}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "15  " and name "HN  "))
 ASSI { 3034}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "19  " and name "HN  "))
      4.900     3.000     2.100 peak  3034 weight  0.10000E+01 volume  0.63690E+04 ppm1      0.417 ppm2      8.219
 OR { 3034}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "19  " and name "HN  "))
 ASSI { 3044}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "22  " and name "HN  "))
      4.100     2.100     2.100 peak  3044 weight  0.10000E+01 volume  0.17470E+05 ppm1      0.462 ppm2      7.923
 OR { 3044}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "49  " and name "HN  "))
 OR { 3044}
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
   (( segid "    " and resid "21  " and name "HN  "))
 ASSI { 3051}
   (( segid "    " and resid "22  " and name "HG2 "))
   (( segid "    " and resid "23  " and name "HN  "))
      4.000     2.000     2.000 peak  3051 weight  0.10000E+01 volume  0.19870E+05 ppm1      0.646 ppm2      8.312
 OR { 3051}
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
   (( segid "    " and resid "23  " and name "HN  "))
 ASSI { 3055}
   (( segid "    " and resid "73  " and name "HD12")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD11"))
   (( segid "    " and resid "71  " and name "HN  "))
      5.900     4.400     1.100 peak  3055 weight  0.10000E+01 volume  0.19780E+04 ppm1      0.962 ppm2      8.439
 OR { 3055}
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
   (( segid "    " and resid "71  " and name "HN  "))
 OR { 3055}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "71  " and name "HN  "))
 ASSI { 3056}
   (( segid "    " and resid "12  " and name "HG2 "))
   (( segid "    " and resid "9   " and name "HN  "))
      4.400     2.400     2.400 peak  3056 weight  0.10000E+01 volume  0.11990E+05 ppm1      1.513 ppm2      8.249
 OR { 3056}
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
   (( segid "    " and resid "9   " and name "HN  "))
 ASSI { 3057}
   (( segid "    " and resid "59  " and name "HG2 "))
   (( segid "    " and resid "63  " and name "HN  "))
      3.200     1.300     1.300 peak  3057 weight  0.10000E+01 volume  0.75690E+05 ppm1      1.582 ppm2      8.250
 OR { 3057}
   (( segid "    " and resid "59  " and name "HG3 "))
   (( segid "    " and resid "63  " and name "HN  "))
 OR { 3057}
   (( segid "    " and resid "12  " and name "HD3 "))
   (( segid "    " and resid "9   " and name "HN  "))
 ASSI { 3060}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "55  " and name "HN  "))
      3.200     1.300     1.300 peak  3060 weight  0.10000E+01 volume  0.71330E+05 ppm1      0.435 ppm2      8.122
 OR { 3060}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "55  " and name "HN  "))
 OR { 3060}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "30  " and name "HN  "))
 ASSI { 3061}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "30  " and name "HN  "))
      2.800     1.000     1.000 peak  3061 weight  0.10000E+01 volume  0.16230E+06 ppm1      0.511 ppm2      8.136
 OR { 3061}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "33  " and name "HN  "))
 ASSI { 3062}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "30  " and name "HN  "))
      6.000     6.000     1.000 peak  3062 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.963 ppm2      8.121
 OR { 3062}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "55  " and name "HN  "))
 ASSI { 3065}
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
   (( segid "    " and resid "32  " and name "HN  "))
      4.000     2.000     2.000 peak  3065 weight  0.10000E+01 volume  0.21490E+05 ppm1      0.513 ppm2      7.762
 OR { 3065}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "32  " and name "HN  "))
 OR { 3065}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "16  " and name "HN  "))
 ASSI { 3067}
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
   (( segid "    " and resid "46  " and name "HN  "))
      4.100     2.100     2.100 peak  3067 weight  0.10000E+01 volume  0.17540E+05 ppm1      0.725 ppm2      7.849
 OR { 3067}
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
   (( segid "    " and resid "46  " and name "HN  "))
 OR { 3067}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "46  " and name "HN  "))
 ASSI { 3071}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "31  " and name "HN  "))
      6.000     6.000     1.000 peak  3071 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.795 ppm2      7.677
 OR { 3071}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "17  " and name "HN  "))
 ASSI { 3072}
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
   (( segid "    " and resid "40  " and name "HD21"))
      5.200     3.400     1.800 peak  3072 weight  0.10000E+01 volume  0.41220E+04 ppm1      0.703 ppm2      7.677
 OR { 3072}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "17  " and name "HN  "))
 OR { 3072}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "31  " and name "HN  "))
 OR { 3072}
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
   (( segid "    " and resid "17  " and name "HN  "))
 OR { 3072}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "31  " and name "HN  "))
 OR { 3072}
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
   (( segid "    " and resid "31  " and name "HN  "))
 ASSI { 3074}
   (( segid "    " and resid "15  " and name "HG3 "))
   (( segid "    " and resid "16  " and name "HN  "))
      4.700     2.800     2.300 peak  3074 weight  0.10000E+01 volume  0.73280E+04 ppm1      0.937 ppm2      7.776
 OR { 3074}
   (( segid "    " and resid "15  " and name "HG2 "))
   (( segid "    " and resid "16  " and name "HN  "))
 OR { 3074}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "28  " and name "HN  "))
 ASSI { 3075}
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
   (( segid "    " and resid "32  " and name "HN  "))
      4.900     3.000     2.100 peak  3075 weight  0.10000E+01 volume  0.57910E+04 ppm1      0.803 ppm2      7.760
 OR { 3075}
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
   (( segid "    " and resid "32  " and name "HN  "))
 ASSI { 3079}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.100     1.200     1.200 peak  3079 weight  0.10000E+01 volume  0.10280E+06 ppm1      0.957 ppm2      7.517
 OR { 3079}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
 OR { 3079}
   (( segid "    " and resid "15  " and name "HG2 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
 OR { 3079}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "18  " and name "HN  "))
 OR { 3079}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "18  " and name "HN  "))
 ASSI { 3081}
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.300     1.400     1.400 peak  3081 weight  0.10000E+01 volume  0.65110E+05 ppm1      1.099 ppm2      7.511
 OR { 3081}
   (( segid "    " and resid "10  " and name "HG  "))
   (( segid "    " and resid "7   " and name "HE21"))
 ASSI { 3086}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "51  " and name "HN  "))
      3.300     1.400     1.400 peak  3086 weight  0.10000E+01 volume  0.60420E+05 ppm1      0.457 ppm2      7.649
 OR { 3086}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "48  " and name "HN  "))
 OR { 3086}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "51  " and name "HN  "))
 ASSI { 3101}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      4.500     2.500     2.500 peak  3101 weight  0.10000E+01 volume  0.10230E+05 ppm1      0.413 ppm2      7.422
 OR { 3101}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
 ASSI { 3105}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "23  " and name "HZ  "))
      4.100     2.100     2.100 peak  3105 weight  0.10000E+01 volume  0.18060E+05 ppm1      0.705 ppm2      7.346
 OR { 3105}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "23  " and name "HZ  "))
 OR { 3105}
   (( segid "    " and resid "52  " and name "HG3 "))
   (( segid "    " and resid "53  " and name "HZ  "))
 ASSI { 3112}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "48  " and name "HN  "))
      5.200     3.400     1.800 peak  3112 weight  0.10000E+01 volume  0.43310E+04 ppm1      0.937 ppm2      7.651
 OR { 3112}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "38  " and name "HN  "))
 OR { 3112}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "51  " and name "HN  "))
 ASSI { 3114}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "31  " and name "HN  "))
      5.400     3.600     1.600 peak  3114 weight  0.10000E+01 volume  0.32750E+04 ppm1      0.935 ppm2      7.679
 OR { 3114}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "31  " and name "HN  "))
 ASSI { 3115}
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
   (( segid "    " and resid "31  " and name "HN  "))
      5.200     3.400     1.800 peak  3115 weight  0.10000E+01 volume  0.43870E+04 ppm1      0.909 ppm2      7.679
 OR { 3115}
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
   (( segid "    " and resid "31  " and name "HN  "))
 ASSI { 3116}
   (( segid "    " and resid "62  " and name "HD2 "))
   (( segid "    " and resid "60  " and name "HD21"))
      4.000     2.000     2.000 peak  3116 weight  0.10000E+01 volume  0.20110E+05 ppm1      1.400 ppm2      7.846
 OR { 3116}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "46  " and name "HN  "))
 ASSI { 3119}
   (( segid "    " and resid "64  " and name "HB2 "))
   (( segid "    " and resid "60  " and name "HD21"))
      6.000     6.000     1.000 peak  3119 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.856 ppm2      7.840
 OR { 3119}
   (( segid "    " and resid "45  " and name "HB2 "))
   (( segid "    " and resid "46  " and name "HN  "))
 ASSI { 3120}
   (( segid "    " and resid "64  " and name "HG2 "))
   (( segid "    " and resid "60  " and name "HD21"))
      3.800     1.800     1.800 peak  3120 weight  0.10000E+01 volume  0.29200E+05 ppm1      2.158 ppm2      7.843
 OR { 3120}
   (( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "46  " and name "HN  "))
 ASSI { 3121}
   (( segid "    " and resid "17  " and name "HG  "))
   (( segid "    " and resid "16  " and name "HN  "))
      3.500     1.500     1.500 peak  3121 weight  0.10000E+01 volume  0.42180E+05 ppm1      2.019 ppm2      7.763
 OR { 3121}
   (( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "32  " and name "HN  "))
 ASSI { 3130}
   (( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.300     1.400     1.400 peak  3130 weight  0.10000E+01 volume  0.68390E+05 ppm1      1.467 ppm2      7.517
 OR { 3130}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
 ASSI { 3131}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.200     1.300     1.300 peak  3131 weight  0.10000E+01 volume  0.75200E+05 ppm1      1.528 ppm2      7.516
 OR { 3131}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
 OR { 3131}
   (( segid "    " and resid "52  " and name "HB3 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
 OR { 3131}
   (( segid "    " and resid "16  " and name "HB2 ")
     OR 
    ( segid "    " and resid "16  " and name "HB3 ")
     OR 
    ( segid "    " and resid "16  " and name "HB1 "))
   (( segid "    " and resid "18  " and name "HN  "))
 ASSI { 3139}
   (( segid "    " and resid "67  " and name "HB3 "))
   (( segid "    " and resid "18  " and name "HN  "))
      3.800     1.800     1.800 peak  3139 weight  0.10000E+01 volume  0.25610E+05 ppm1      2.609 ppm2      7.516
 OR { 3139}
   (( segid "    " and resid "38  " and name "HB3 "))
   (( segid "    " and resid "7   " and name "HE21"))
 OR { 3139}
   (( segid "    " and resid "67  " and name "HB3 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
 ASSI { 3147}
   (( segid "    " and resid "29  " and name "HA  "))
   (( segid "    " and resid "31  " and name "HN  "))
      4.200     2.200     2.200 peak  3147 weight  0.10000E+01 volume  0.14830E+05 ppm1      3.149 ppm2      7.678
 OR { 3147}
   (( segid "    " and resid "14  " and name "HB2 "))
   (( segid "    " and resid "17  " and name "HN  "))
 ASSI { 3149}
   (( segid "    " and resid "14  " and name "HB2 "))
   (( segid "    " and resid "53  " and name "HZ  "))
      4.500     2.500     2.500 peak  3149 weight  0.10000E+01 volume  0.94860E+04 ppm1      3.147 ppm2      7.348
 OR { 3149}
   (( segid "    " and resid "29  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HZ  "))
 ASSI { 3150}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "48  " and name "HN  "))
      3.900     1.900     1.900 peak  3150 weight  0.10000E+01 volume  0.22880E+05 ppm1      3.433 ppm2      7.662
 OR { 3150}
   (( segid "    " and resid "15  " and name "HA  "))
   (( segid "    " and resid "17  " and name "HN  "))
 ASSI { 3155}
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "20  " and name "HN  "))
      3.100     1.200     1.200 peak  3155 weight  0.10000E+01 volume  0.97850E+05 ppm1      3.971 ppm2      7.420
 OR { 3155}
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
 OR { 3155}
   (( segid "    " and resid "63  " and name "HA  "))
   (( segid "    " and resid "62  " and name "HN  "))
 ASSI { 3157}
   (( segid "    " and resid "14  " and name "HA  "))
   (( segid "    " and resid "18  " and name "HN  "))
      4.200     2.200     2.200 peak  3157 weight  0.10000E+01 volume  0.15290E+05 ppm1      3.881 ppm2      7.517
 OR { 3157}
   (( segid "    " and resid "52  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
 ASSI { 3158}
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "51  " and name "HN  "))
      4.100     2.100     2.100 peak  3158 weight  0.10000E+01 volume  0.17860E+05 ppm1      3.799 ppm2      7.648
 OR { 3158}
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "48  " and name "HN  "))
 ASSI { 3166}
   (( segid "    " and resid "34  " and name "HA  "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
      3.200     1.300     1.300 peak  3166 weight  0.10000E+01 volume  0.83940E+05 ppm1      4.130 ppm2      7.456
 OR { 3166}
   (( segid "    " and resid "7   " and name "HA  "))
   (( segid "    " and resid "38  " and name "HD1 ")
     OR 
    ( segid "    " and resid "38  " and name "HD2 "))
 ASSI { 3169}
   (( segid "    " and resid "47  " and name "HB2 "))
   (( segid "    " and resid "46  " and name "HN  "))
      4.200     2.200     2.200 peak  3169 weight  0.10000E+01 volume  0.14690E+05 ppm1      4.072 ppm2      7.851
 OR { 3169}
   (( segid "    " and resid "47  " and name "HB3 "))
   (( segid "    " and resid "46  " and name "HN  "))
 OR { 3169}
   (( segid "    " and resid "24  " and name "HB2 "))
   (( segid "    " and resid "60  " and name "HD21"))
 ASSI { 3178}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      4.400     2.400     2.400 peak  3178 weight  0.10000E+01 volume  0.10840E+05 ppm1      0.947 ppm2      6.592
 OR { 3178}
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
 ASSI { 3182}
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      2.800     1.000     1.000 peak  3182 weight  0.10000E+01 volume  0.18050E+06 ppm1      0.925 ppm2      6.794
 OR { 3182}
   (( segid "    " and resid "15  " and name "HG2 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
 OR { 3182}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
 ASSI { 3188}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      2.300     0.700     0.700 peak  3188 weight  0.10000E+01 volume  0.59670E+06 ppm1      0.438 ppm2      6.843
 OR { 3188}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
 ASSI { 3193}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HZ  "))
      2.100     0.600     0.600 peak  3193 weight  0.10000E+01 volume  0.84480E+06 ppm1      0.435 ppm2      6.959
 OR { 3193}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HZ  "))
 OR { 3193}
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HZ  "))
 ASSI { 3194}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HZ  "))
      3.100     1.200     1.200 peak  3194 weight  0.10000E+01 volume  0.97360E+05 ppm1      0.513 ppm2      6.957
 OR { 3194}
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
   (( segid "    " and resid "14  " and name "HZ  "))
 ASSI { 3197}
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HZ  "))
      2.800     1.000     1.000 peak  3197 weight  0.10000E+01 volume  0.17020E+06 ppm1      0.484 ppm2      6.961
 OR { 3197}
   (( segid "    " and resid "50  " and name "HD22")
     OR 
    ( segid "    " and resid "50  " and name "HD23")
     OR 
    ( segid "    " and resid "50  " and name "HD21"))
   (( segid "    " and resid "14  " and name "HZ  "))
 OR { 3197}
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HZ  "))
 ASSI { 3200}
   (( segid "    " and resid "29  " and name "HG13"))
   (( segid "    " and resid "14  " and name "HZ  "))
      3.500     1.500     1.500 peak  3200 weight  0.10000E+01 volume  0.47190E+05 ppm1      0.702 ppm2      6.964
 OR { 3200}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "14  " and name "HZ  "))
 OR { 3200}
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
   (( segid "    " and resid "14  " and name "HZ  "))
 ASSI { 3207}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "43  " and name "HE22"))
      5.100     3.300     1.900 peak  3207 weight  0.10000E+01 volume  0.47860E+04 ppm1      0.841 ppm2      6.909
 OR { 3207}
   (( segid "    " and resid "30  " and name "HG12")
     OR 
    ( segid "    " and resid "30  " and name "HG13")
     OR 
    ( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "26  " and name "HE21"))
 ASSI { 3211}
   (( segid "    " and resid "15  " and name "HG2 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      4.200     2.200     2.200 peak  3211 weight  0.10000E+01 volume  0.15870E+05 ppm1      0.952 ppm2      7.227
 OR { 3211}
   (( segid "    " and resid "15  " and name "HG3 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
 OR { 3211}
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
 OR { 3211}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
 ASSI { 3223}
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      4.800     2.900     2.200 peak  3223 weight  0.10000E+01 volume  0.69860E+04 ppm1      0.956 ppm2      6.841
 OR { 3223}
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
 OR { 3223}
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
 ASSI { 3231}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      3.300     1.400     1.400 peak  3231 weight  0.10000E+01 volume  0.68480E+05 ppm1      1.391 ppm2      7.278
 OR { 3231}
   (( segid "    " and resid "22  " and name "HD3 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
 ASSI { 3240}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      3.300     1.400     1.400 peak  3240 weight  0.10000E+01 volume  0.62330E+05 ppm1      1.407 ppm2      7.017
 OR { 3240}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
 OR { 3240}
   (( segid "    " and resid "52  " and name "HD2 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
 ASSI { 3241}
   (( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      3.200     1.300     1.300 peak  3241 weight  0.10000E+01 volume  0.80570E+05 ppm1      1.459 ppm2      7.014
 OR { 3241}
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
 ASSI { 3242}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HZ  "))
      3.300     1.400     1.400 peak  3242 weight  0.10000E+01 volume  0.70000E+05 ppm1      1.407 ppm2      6.959
 OR { 3242}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "36  " and name "HE22"))
 ASSI { 3251}
   (( segid "    " and resid "10  " and name "HG  "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      4.100     2.100     2.100 peak  3251 weight  0.10000E+01 volume  0.17630E+05 ppm1      1.098 ppm2      6.793
 OR { 3251}
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
 ASSI { 3254}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      2.900     2.900     4.100 peak  3254 weight  0.10000E+01 volume  0.12820E+06 ppm1      1.407 ppm2      6.792
 OR { 3254}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
 OR { 3254}
   (( segid "    " and resid "52  " and name "HD2 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
 ASSI { 3260}
   (( segid "    " and resid "10  " and name "HB2 "))
   (( segid "    " and resid "7   " and name "HE22"))
      4.200     2.200     2.200 peak  3260 weight  0.10000E+01 volume  0.15390E+05 ppm1      1.823 ppm2      6.836
 OR { 3260}
   (( segid "    " and resid "66  " and name "HB  "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
 ASSI { 3267}
   (( segid "    " and resid "33  " and name "HG  "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      4.000     2.000     2.000 peak  3267 weight  0.10000E+01 volume  0.19090E+05 ppm1      1.746 ppm2      6.796
 OR { 3267}
   (( segid "    " and resid "15  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
 ASSI { 3268}
   (( segid "    " and resid "49  " and name "HG3 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      4.300     2.300     2.300 peak  3268 weight  0.10000E+01 volume  0.14060E+05 ppm1      2.049 ppm2      6.794
 OR { 3268}
   (( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
 OR { 3268}
   (( segid "    " and resid "17  " and name "HG  "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
 ASSI { 3269}
   (( segid "    " and resid "46  " and name "HB  "))
   (( segid "    " and resid "42  " and name "HN  "))
      4.700     2.800     2.300 peak  3269 weight  0.10000E+01 volume  0.77230E+04 ppm1      2.056 ppm2      6.763
 OR { 3269}
   (( segid "    " and resid "43  " and name "HB3 "))
   (( segid "    " and resid "42  " and name "HN  "))
 ASSI { 3271}
   (( segid "    " and resid "15  " and name "HD3 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
      3.000     1.100     1.100 peak  3271 weight  0.10000E+01 volume  0.10730E+06 ppm1      1.523 ppm2      7.224
 OR { 3271}
   (( segid "    " and resid "15  " and name "HD2 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
 OR { 3271}
   (( segid "    " and resid "52  " and name "HB3 "))
   (( segid "    " and resid "53  " and name "HE1 ")
     OR 
    ( segid "    " and resid "53  " and name "HE2 "))
 ASSI { 3274}
   (( segid "    " and resid "12  " and name "HB3 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      6.000     6.000     1.000 peak  3274 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.899 ppm2      7.260
 OR { 3274}
   (( segid "    " and resid "12  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
 OR { 3274}
   (( segid "    " and resid "50  " and name "HG  "))
   (( segid "    " and resid "29  " and name "HN  "))
 ASSI { 3277}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "42  " and name "HN  "))
      3.400     1.400     1.400 peak  3277 weight  0.10000E+01 volume  0.57820E+05 ppm1      1.432 ppm2      6.764
 OR { 3277}
   (( segid "    " and resid "41  " and name "HG12"))
   (( segid "    " and resid "42  " and name "HN  "))
 ASSI { 3280}
   (( segid "    " and resid "26  " and name "HB2 "))
   (( segid "    " and resid "29  " and name "HN  "))
      4.600     2.600     2.400 peak  3280 weight  0.10000E+01 volume  0.90860E+04 ppm1      2.064 ppm2      7.257
 OR { 3280}
   (( segid "    " and resid "46  " and name "HB  "))
   (( segid "    " and resid "29  " and name "HN  "))
 ASSI { 3289}
   (( segid "    " and resid "26  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      3.800     1.800     1.800 peak  3289 weight  0.10000E+01 volume  0.29210E+05 ppm1      1.907 ppm2      6.593
 OR { 3289}
   (( segid "    " and resid "50  " and name "HG  "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
 ASSI { 3300}
   (( segid "    " and resid "22  " and name "HE2 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
      4.100     2.100     2.100 peak  3300 weight  0.10000E+01 volume  0.17310E+05 ppm1      2.706 ppm2      7.279
 OR { 3300}
   (( segid "    " and resid "67  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
 OR { 3300}
   (( segid "    " and resid "22  " and name "HE3 "))
   (( segid "    " and resid "23  " and name "HD1 ")
     OR 
    ( segid "    " and resid "23  " and name "HD2 "))
 ASSI { 3303}
   (( segid "    " and resid "53  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HZ  "))
      4.200     2.200     2.200 peak  3303 weight  0.10000E+01 volume  0.15210E+05 ppm1      2.873 ppm2      6.965
 OR { 3303}
   (( segid "    " and resid "14  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HZ  "))
 ASSI { 3308}
   (( segid "    " and resid "7   " and name "HA  "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
      3.400     1.400     1.400 peak  3308 weight  0.10000E+01 volume  0.51530E+05 ppm1      4.128 ppm2      7.257
 OR { 3308}
   (( segid "    " and resid "8   " and name "HA  "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
 ASSI { 3310}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "29  " and name "HN  "))
      3.800     1.800     1.800 peak  3310 weight  0.10000E+01 volume  0.28640E+05 ppm1      4.336 ppm2      7.257
 OR { 3310}
   (( segid "    " and resid "64  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HE  "))
 ASSI { 3311}
   (( segid "    " and resid "13  " and name "HA  "))
   (( segid "    " and resid "36  " and name "HE21"))
      3.700     1.700     1.700 peak  3311 weight  0.10000E+01 volume  0.34080E+05 ppm1      4.211 ppm2      7.311
 OR { 3311}
   (( segid "    " and resid "33  " and name "HA  "))
   (( segid "    " and resid "36  " and name "HE21"))
 ASSI { 3312}
   (( segid "    " and resid "13  " and name "HA  "))
   (( segid "    " and resid "36  " and name "HE22"))
      3.900     1.900     1.900 peak  3312 weight  0.10000E+01 volume  0.21970E+05 ppm1      4.201 ppm2      6.948
 OR { 3312}
   (( segid "    " and resid "33  " and name "HA  "))
   (( segid "    " and resid "36  " and name "HE22"))
 ASSI { 3318}
   (( segid "    " and resid "47  " and name "HB3 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
      4.900     3.000     2.100 peak  3318 weight  0.10000E+01 volume  0.57320E+04 ppm1      4.079 ppm2      6.591
 OR { 3318}
   (( segid "    " and resid "24  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
 OR { 3318}
   (( segid "    " and resid "27  " and name "HA1 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
 OR { 3318}
   (( segid "    " and resid "47  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
 OR { 3318}
   (( segid "    " and resid "51  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HE1 ")
     OR 
    ( segid "    " and resid "67  " and name "HE2 "))
 ASSI { 3326}
   (( segid "    " and resid "55  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
      3.800     1.800     1.800 peak  3326 weight  0.10000E+01 volume  0.26820E+05 ppm1      4.582 ppm2      6.843
 OR { 3326}
   (( segid "    " and resid "66  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HD1 ")
     OR 
    ( segid "    " and resid "67  " and name "HD2 "))
 ASSI { 3328}
   (( segid "    " and resid "41  " and name "HA  "))
   (( segid "    " and resid "40  " and name "HD22"))
      4.400     2.400     2.400 peak  3328 weight  0.10000E+01 volume  0.12240E+05 ppm1      4.140 ppm2      6.857
 OR { 3328}
   (( segid "    " and resid "7   " and name "HA  "))
   (( segid "    " and resid "40  " and name "HD22"))
 ASSI { 3344}
   (( segid "    " and resid "50  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
      4.400     2.400     2.400 peak  3344 weight  0.10000E+01 volume  0.10840E+05 ppm1      4.010 ppm2      6.793
 OR { 3344}
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HD1 ")
     OR 
    ( segid "    " and resid "14  " and name "HD2 "))
 ASSI { 3346}
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      4.400     2.400     2.400 peak  3346 weight  0.10000E+01 volume  0.11290E+05 ppm1      3.795 ppm2      7.016
 OR { 3346}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
 ASSI { 3347}
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HZ  "))
      4.600     2.600     2.400 peak  3347 weight  0.10000E+01 volume  0.85930E+04 ppm1      3.808 ppm2      6.963
 OR { 3347}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HZ  "))
 ASSI { 3348}
   (( segid "    " and resid "51  " and name "HA  "))
   (( segid "    " and resid "26  " and name "HE21"))
      3.300     3.300     3.700 peak  3348 weight  0.10000E+01 volume  0.62060E+05 ppm1      4.116 ppm2      6.903
 OR { 3348}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "26  " and name "HE21"))
 ASSI { 3350}
   (( segid "    " and resid "62  " and name "HE2 "))
   (( segid "    " and resid "60  " and name "HD21"))
      4.900     3.000     2.100 peak  3350 weight  0.10000E+01 volume  0.60230E+04 ppm1      2.954 ppm2      7.837
 OR { 3350}
   (( segid "    " and resid "62  " and name "HE3 "))
   (( segid "    " and resid "60  " and name "HD21"))
 OR { 3350}
   (( segid "    " and resid "45  " and name "HE2 "))
   (( segid "    " and resid "46  " and name "HN  "))
 ASSI { 3351}
   (( segid "    " and resid "20  " and name "HG3 "))
   (( segid "    " and resid "21  " and name "HN  "))
      5.100     3.300     1.900 peak  3351 weight  0.10000E+01 volume  0.46090E+04 ppm1      2.810 ppm2      7.913
 OR { 3351}
   (( segid "    " and resid "20  " and name "HG2 "))
   (( segid "    " and resid "21  " and name "HN  "))
 OR { 3351}
   (( segid "    " and resid "20  " and name "HG2 "))
   (( segid "    " and resid "22  " and name "HN  "))
 OR { 3351}
   (( segid "    " and resid "20  " and name "HG3 "))
   (( segid "    " and resid "22  " and name "HN  "))
 ASSI { 3355}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "50  " and name "HN  "))
      2.900     1.100     1.100 peak  3355 weight  0.10000E+01 volume  0.14800E+06 ppm1      4.079 ppm2      8.704
 OR { 3355}
   (( segid "    " and resid "47  " and name "HB2 "))
   (( segid "    " and resid "50  " and name "HN  "))
 OR { 3355}
   (( segid "    " and resid "51  " and name "HA  "))
   (( segid "    " and resid "50  " and name "HN  "))
 ASSI { 3358}
   (( segid "    " and resid "41  " and name "HA  "))
   (( segid "    " and resid "40  " and name "HN  "))
      3.600     1.600     1.600 peak  3358 weight  0.10000E+01 volume  0.35600E+05 ppm1      4.147 ppm2      8.775
 OR { 3358}
   (( segid "    " and resid "34  " and name "HA  "))
   (( segid "    " and resid "40  " and name "HN  "))
 ASSI { 3360}
   (( segid "    " and resid "52  " and name "HE2 "))
   (( segid "    " and resid "53  " and name "HZ  "))
      3.100     1.200     1.200 peak  3360 weight  0.10000E+01 volume  0.91930E+05 ppm1      2.793 ppm2      7.347
 OR { 3360}
   (( segid "    " and resid "36  " and name "HG2 "))
   (( segid "    " and resid "23  " and name "HZ  "))
 ASSI { 3362}
   (( segid "    " and resid "50  " and name "HB3 "))
   (( segid "    " and resid "49  " and name "HN  "))
      3.500     1.500     1.500 peak  3362 weight  0.10000E+01 volume  0.44790E+05 ppm1      1.409 ppm2      7.933
 OR { 3362}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "49  " and name "HN  "))
 OR { 3362}
   (( segid "    " and resid "52  " and name "HD2 "))
   (( segid "    " and resid "49  " and name "HN  "))
 ASSI { 3368}
   (( segid "    " and resid "52  " and name "HB2 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      4.000     2.000     2.000 peak  3368 weight  0.10000E+01 volume  0.19580E+05 ppm1      1.738 ppm2      7.529
 OR { 3368}
   (( segid "    " and resid "15  " and name "HB3 "))
   (( segid "    " and resid "18  " and name "HN  "))
 OR { 3368}
   (( segid "    " and resid "19  " and name "HD3 "))
   (( segid "    " and resid "18  " and name "HN  "))
 OR { 3368}
   (( segid "    " and resid "15  " and name "HB3 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
 OR { 3368}
   (( segid "    " and resid "19  " and name "HD2 "))
   (( segid "    " and resid "18  " and name "HN  "))
 ASSI { 3372}
   (( segid "    " and resid "52  " and name "HB3 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
      3.700     1.700     1.700 peak  3372 weight  0.10000E+01 volume  0.33030E+05 ppm1      1.515 ppm2      7.014
 OR { 3372}
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
   (( segid "    " and resid "14  " and name "HE1 ")
     OR 
    ( segid "    " and resid "14  " and name "HE2 "))
 ASSI { 3403}
   (( segid "    " and resid "49  " and name "HG3 "))
   (( segid "    " and resid "53  " and name "HD1 ")
     OR 
    ( segid "    " and resid "53  " and name "HD2 "))
      3.600     1.600     1.600 peak  3403 weight  0.10000E+01 volume  0.38450E+05 ppm1      2.034 ppm2      7.529
 OR { 3403}
   (( segid "    " and resid "17  " and name "HG  "))
   (( segid "    " and resid "18  " and name "HN  "))
 ASSI { 3406}
   (( segid "    " and resid "19  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HN  "))
      3.300     1.400     1.400 peak  3406 weight  0.10000E+01 volume  0.59840E+05 ppm1      4.279 ppm2      7.921
 OR { 3406}
   (( segid "    " and resid "17  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HN  "))
 ASSI { 3419}
   (( segid "    " and resid "43  " and name "HB3 "))
   (( segid "    " and resid "43  " and name "HE22"))
      2.500     0.800     0.800 peak  3419 weight  0.10000E+01 volume  0.31650E+06 ppm1      2.093 ppm2      6.906
 OR { 3419}
   (( segid "    " and resid "26  " and name "HB2 "))
   (( segid "    " and resid "26  " and name "HE21"))
 ASSI { 2884}
   (( segid "    " and resid "12  " and name "HG3 "))
   (( segid "    " and resid "11  " and name "HA  "))
      2.900     2.900     4.100 peak  2884 weight  0.10000E+01 volume  0.10250E+05 ppm1      1.410 ppm2      3.358
 OR { 2884}
   (( segid "    " and resid "52  " and name "HD2 "))
   (( segid "    " and resid "11  " and name "HA  "))
 ASSI { 2906}
   (( segid "    " and resid "45  " and name "HG3 "))
   (( segid "    " and resid "14  " and name "HB3 "))
      3.000     3.000     4.000 peak  2906 weight  0.10000E+01 volume  0.86160E+04 ppm1      1.407 ppm2      2.857
 OR { 2906}
   (( segid "    " and resid "32  " and name "HB2 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "14  " and name "HB3 "))
 OR { 2906}
   (( segid "    " and resid "52  " and name "HD2 "))
   (( segid "    " and resid "14  " and name "HB3 "))
 ASSI { 3299}
   (( segid "    " and resid "18  " and name "HG  "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      3.200     3.200     3.800 peak  3299 weight  0.10000E+01 volume  0.50040E+04 ppm1      1.291 ppm2      7.418
 OR { 3299}
   (( segid "    " and resid "18  " and name "HG  "))
   (( segid "    " and resid "20  " and name "HN  "))
 ASSI { 3307}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      4.200     2.200     2.200 peak  3307 weight  0.10000E+01 volume  0.10880E+04 ppm1      0.421 ppm2      7.419
 OR { 3307}
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
   (( segid "    " and resid "20  " and name "HN  "))
 ASSI { 3361}
   (( segid "    " and resid "15  " and name "HE2 "))
   (( segid "    " and resid "15  " and name "HA  "))
      6.000     6.000     1.000 peak  3361 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.567 ppm2      3.437
 OR { 3361}
   (( segid "    " and resid "49  " and name "HG2 "))
   (( segid "    " and resid "46  " and name "HA  "))
 ASSI { 3368}
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
   (( segid "    " and resid "7   " and name "HA  "))
      6.100     4.700     0.900 peak  3368 weight  0.10000E+01 volume  0.11330E+03 ppm1      1.098 ppm2      4.123
 OR { 3368}
   (( segid "    " and resid "10  " and name "HG  "))
   (( segid "    " and resid "7   " and name "HA  "))
 ASSI { 3374}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HE2 ")
     OR 
    ( segid "    " and resid "65  " and name "HE3 ")
     OR 
    ( segid "    " and resid "65  " and name "HE1 "))
      5.900     4.400     1.100 peak  3374 weight  0.10000E+01 volume  0.13320E+03 ppm1      4.890 ppm2      1.851
 OR { 3374}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "64  " and name "HB2 "))
 ASSI { 3376}
   (( segid "    " and resid "60  " and name "HB3 "))
   (( segid "    " and resid "61  " and name "HA  "))
      7.000     6.100     0.000 peak  3376 weight  0.10000E+01 volume  0.43700E+02 ppm1      2.804 ppm2      4.168
 OR { 3376}
   (( segid "    " and resid "36  " and name "HG2 "))
   (( segid "    " and resid "31  " and name "HA  "))
 ASSI { 3383}
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "20  " and name "HN  "))
      7.000     6.100     0.000 peak  3383 weight  0.10000E+01 volume  0.32900E+02 ppm1      3.985 ppm2      7.417
 OR { 3383}
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
 OR { 3383}
   (( segid "    " and resid "63  " and name "HA  "))
   (( segid "    " and resid "62  " and name "HN  "))
 ASSI { 3384}
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HE1 ")
     OR 
    ( segid "    " and resid "23  " and name "HE2 "))
      6.200     4.800     0.800 peak  3384 weight  0.10000E+01 volume  0.99600E+02 ppm1      2.487 ppm2      7.419
 OR { 3384}
   (( segid "    " and resid "63  " and name "HB2 "))
   (( segid "    " and resid "62  " and name "HN  "))
 ASSI { 3388}
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "29  " and name "HN  "))
      3.900     1.900     1.900 peak  3388 weight  0.10000E+01 volume  0.17690E+04 ppm1      2.498 ppm2      7.258
 OR { 3388}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HE1 ")
     OR 
    ( segid "    " and resid "38  " and name "HE2 "))
 ASSI {   10}
   (( segid "    " and resid "3   " and name "HN  "))
   (( segid "    " and resid "2   " and name "HA  "))
      2.400     0.700     0.700 peak    10 weight  0.10000E+01 volume  0.63680E+05 ppm1      8.657 ppm2      4.426
 OR {   10}
   (( segid "    " and resid "3   " and name "HN  "))
   (( segid "    " and resid "3   " and name "HA  "))
 ASSI {   16}
   (( segid "    " and resid "4   " and name "HN  "))
   (( segid "    " and resid "3   " and name "HB3 "))
      3.000     1.100     1.100 peak    16 weight  0.10000E+01 volume  0.17370E+05 ppm1      8.514 ppm2      3.880
 OR {   16}
   (( segid "    " and resid "4   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HB3 "))
 ASSI {   21}
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "5   " and name "HA  "))
      2.300     0.700     0.700 peak    21 weight  0.10000E+01 volume  0.10360E+06 ppm1      8.357 ppm2      4.341
 OR {   21}
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "6   " and name "HA  "))
 ASSI {   33}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HA  "))
      2.400     0.700     0.700 peak    33 weight  0.10000E+01 volume  0.67450E+05 ppm1      8.831 ppm2      4.149
 OR {   33}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HA  "))
 ASSI {   45}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
      3.600     1.600     1.600 peak    45 weight  0.10000E+01 volume  0.66760E+04 ppm1      7.873 ppm2      1.095
 OR {   45}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HG  "))
 ASSI {   56}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HG2 "))
      3.200     1.300     1.300 peak    56 weight  0.10000E+01 volume  0.11450E+05 ppm1      7.724 ppm2      1.518
 OR {   56}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HB2 ")
     OR 
    ( segid "    " and resid "13  " and name "HB3 ")
     OR 
    ( segid "    " and resid "13  " and name "HB1 "))
 ASSI {   91}
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HB3 "))
      2.800     1.000     1.000 peak    91 weight  0.10000E+01 volume  0.29640E+05 ppm1      7.515 ppm2      1.195
 OR {   91}
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HB3 "))
 ASSI {  105}
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HA  "))
      2.200     0.600     0.600 peak   105 weight  0.10000E+01 volume  0.12220E+06 ppm1      7.907 ppm2      3.977
 OR {  105}
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HA  "))
 ASSI {  106}
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HB2 "))
      2.800     1.000     1.000 peak   106 weight  0.10000E+01 volume  0.28850E+05 ppm1      7.907 ppm2      2.317
 OR {  106}
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HG3 "))
 ASSI {  107}
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HB2 "))
      3.800     1.800     1.800 peak   107 weight  0.10000E+01 volume  0.43750E+04 ppm1      7.906 ppm2      2.229
 OR {  107}
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HB2 "))
 ASSI {  109}
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HB3 "))
      3.800     1.800     1.800 peak   109 weight  0.10000E+01 volume  0.48020E+04 ppm1      7.906 ppm2      1.976
 OR {  109}
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HB3 "))
 ASSI {  114}
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "22  " and name "HG2 "))
      3.000     1.100     1.100 peak   114 weight  0.10000E+01 volume  0.18460E+05 ppm1      7.923 ppm2      0.633
 OR {  114}
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HG12")
     OR 
    ( segid "    " and resid "66  " and name "HG13")
     OR 
    ( segid "    " and resid "66  " and name "HG11"))
 ASSI {  129}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HB3 "))
      3.000     1.100     1.100 peak   129 weight  0.10000E+01 volume  0.18990E+05 ppm1      8.008 ppm2      3.979
 OR {  129}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HB3 "))
 ASSI {  158}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HA  "))
      2.500     0.800     0.800 peak   158 weight  0.10000E+01 volume  0.53560E+05 ppm1      8.125 ppm2      4.221
 OR {  158}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HA  "))
 ASSI {  160}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
      3.200     1.300     1.300 peak   160 weight  0.10000E+01 volume  0.11980E+05 ppm1      8.125 ppm2      0.563
 OR {  160}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HD22")
     OR 
    ( segid "    " and resid "33  " and name "HD23")
     OR 
    ( segid "    " and resid "33  " and name "HD21"))
 ASSI {  165}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HA  "))
      2.500     0.800     0.800 peak   165 weight  0.10000E+01 volume  0.59610E+05 ppm1      8.695 ppm2      4.150
 OR {  165}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HA  "))
 ASSI {  168}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HG3 "))
      3.200     1.300     1.300 peak   168 weight  0.10000E+01 volume  0.12670E+05 ppm1      8.695 ppm2      2.496
 OR {  168}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HG2 "))
 ASSI {  177}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HG2 "))
      2.600     0.800     0.800 peak   177 weight  0.10000E+01 volume  0.40290E+05 ppm1      7.387 ppm2      2.488
 OR {  177}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HB2 "))
 ASSI {  227}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB2 "))
      2.300     0.700     0.700 peak   227 weight  0.10000E+01 volume  0.10350E+06 ppm1      7.643 ppm2      4.093
 OR {  227}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HA  "))
 OR {  227}
   (( segid "    " and resid "38  " and name "HN  "))
   (( segid "    " and resid "37  " and name "HA1 "))
 ASSI {  246}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HA  "))
      2.500     0.800     0.800 peak   246 weight  0.10000E+01 volume  0.58970E+05 ppm1      7.648 ppm2      4.089
 OR {  246}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HA  "))
 ASSI {  288}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HA  "))
      2.400     0.700     0.700 peak   288 weight  0.10000E+01 volume  0.66870E+05 ppm1      8.733 ppm2      4.848
 OR {  288}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HA  "))
 ASSI {  310}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HB3 "))
      3.000     1.100     1.100 peak   310 weight  0.10000E+01 volume  0.18230E+05 ppm1      8.006 ppm2      1.746
 OR {  310}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HB3 "))
 ASSI {  346}
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HD12")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD11"))
      4.000     2.000     2.000 peak   346 weight  0.10000E+01 volume  0.31230E+04 ppm1      8.338 ppm2      0.942
 OR {  346}
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HD22")
     OR 
    ( segid "    " and resid "69  " and name "HD23")
     OR 
    ( segid "    " and resid "69  " and name "HD21"))
 ASSI {  404}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HD12")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD11"))
      3.100     1.200     1.200 peak   404 weight  0.10000E+01 volume  0.15130E+05 ppm1      7.244 ppm2      0.405
 OR {  404}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
 ASSI {  441}
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HN  "))
      3.500     1.500     1.500 peak   441 weight  0.10000E+01 volume  0.76100E+04 ppm1      8.833 ppm2      7.738
 OR {  441}
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HN  "))
 ASSI {  449}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HA  "))
      2.700     0.900     0.900 peak   449 weight  0.10000E+01 volume  0.32170E+05 ppm1      8.231 ppm2      4.156
 OR {  449}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HA  "))
 ASSI {  455}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "7   " and name "HB3 "))
      4.100     2.100     2.100 peak   455 weight  0.10000E+01 volume  0.29900E+04 ppm1      7.873 ppm2      2.122
 OR {  455}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HB  "))
 OR {  455}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "8   " and name "HB3 "))
 ASSI {  456}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "7   " and name "HA  "))
      3.300     1.400     1.400 peak   456 weight  0.10000E+01 volume  0.11120E+05 ppm1      7.873 ppm2      4.129
 OR {  456}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "8   " and name "HA  "))
 ASSI {  460}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB2 "))
      3.900     1.900     1.900 peak   460 weight  0.10000E+01 volume  0.41020E+04 ppm1      8.005 ppm2      2.415
 OR {  460}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "8   " and name "HG2 "))
 OR {  460}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "8   " and name "HG3 "))
 ASSI {  492}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB2 "))
      3.600     1.600     1.600 peak   492 weight  0.10000E+01 volume  0.59850E+04 ppm1      7.723 ppm2      2.391
 OR {  492}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB3 "))
 OR {  492}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HE3 "))
 ASSI {  497}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HG12")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG11"))
      4.400     2.400     2.400 peak   497 weight  0.10000E+01 volume  0.18160E+04 ppm1      8.170 ppm2      1.091
 OR {  497}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HG  "))
 ASSI {  530}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
      4.000     2.000     2.000 peak   530 weight  0.10000E+01 volume  0.32820E+04 ppm1      8.010 ppm2      0.493
 OR {  530}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HG22")
     OR 
    ( segid "    " and resid "66  " and name "HG23")
     OR 
    ( segid "    " and resid "66  " and name "HG21"))
 ASSI {  534}
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HA  "))
      3.400     1.400     1.400 peak   534 weight  0.10000E+01 volume  0.80710E+04 ppm1      7.906 ppm2      4.275
 OR {  534}
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HA  "))
 ASSI {  600}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HB3 "))
      3.800     1.800     1.800 peak   600 weight  0.10000E+01 volume  0.44450E+04 ppm1      7.770 ppm2      1.940
 OR {  600}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HB  "))
 ASSI {  602}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HB3 "))
      3.900     1.900     1.900 peak   602 weight  0.10000E+01 volume  0.40330E+04 ppm1      7.245 ppm2      2.399
 OR {  602}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HB3 "))
 ASSI {  613}
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG13"))
      4.300     2.300     2.300 peak   613 weight  0.10000E+01 volume  0.20900E+04 ppm1      7.670 ppm2      0.686
 OR {  613}
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG12"))
 OR {  613}
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
 ASSI {  624}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HN  "))
      2.200     0.600     0.600 peak   624 weight  0.10000E+01 volume  0.12850E+06 ppm1      7.757 ppm2      7.666
 OR {  624}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HN  "))
 ASSI {  627}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HB  "))
      4.400     2.400     2.400 peak   627 weight  0.10000E+01 volume  0.18230E+04 ppm1      7.755 ppm2      2.251
 OR {  627}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HB2 "))
 ASSI {  628}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HG22")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG21"))
      3.700     1.700     1.700 peak   628 weight  0.10000E+01 volume  0.50460E+04 ppm1      7.759 ppm2      0.778
 OR {  628}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
 OR {  628}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HD12")
     OR 
    ( segid "    " and resid "17  " and name "HD13")
     OR 
    ( segid "    " and resid "17  " and name "HD11"))
 ASSI {  629}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG12"))
      4.300     2.300     2.300 peak   629 weight  0.10000E+01 volume  0.22620E+04 ppm1      7.757 ppm2      0.689
 OR {  629}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG13"))
 OR {  629}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HD12")
     OR 
    ( segid "    " and resid "33  " and name "HD13")
     OR 
    ( segid "    " and resid "33  " and name "HD11"))
 ASSI {  630}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HD22")
     OR 
    ( segid "    " and resid "17  " and name "HD23")
     OR 
    ( segid "    " and resid "17  " and name "HD21"))
      3.700     1.700     1.700 peak   630 weight  0.10000E+01 volume  0.56940E+04 ppm1      7.757 ppm2      0.529
 OR {  630}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG22")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG21"))
 ASSI {  636}
   (( segid "    " and resid "35  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HB3 "))
      3.500     1.500     1.500 peak   636 weight  0.10000E+01 volume  0.75220E+04 ppm1      8.345 ppm2      2.036
 OR {  636}
   (( segid "    " and resid "35  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HB2 "))
 ASSI {  653}
   (( segid "    " and resid "38  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HA  "))
      2.600     0.800     0.800 peak   653 weight  0.10000E+01 volume  0.48830E+05 ppm1      7.632 ppm2      4.163
 OR {  653}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HA  "))
 ASSI {  689}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HB  "))
      3.600     1.600     1.600 peak   689 weight  0.10000E+01 volume  0.64790E+04 ppm1      8.206 ppm2      2.065
 OR {  689}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HB3 "))
 ASSI {  690}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
      3.700     1.700     1.700 peak   690 weight  0.10000E+01 volume  0.55490E+04 ppm1      8.206 ppm2      0.913
 OR {  690}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
 ASSI {  691}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HD12")
     OR 
    ( segid "    " and resid "41  " and name "HD13")
     OR 
    ( segid "    " and resid "41  " and name "HD11"))
      4.500     2.500     2.500 peak   691 weight  0.10000E+01 volume  0.15290E+04 ppm1      8.206 ppm2      0.733
 OR {  691}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HD12")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD11"))
 ASSI {  724}
   (( segid "    " and resid "38  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HN  "))
      3.500     1.500     1.500 peak   724 weight  0.10000E+01 volume  0.72900E+04 ppm1      7.632 ppm2      8.343
 OR {  724}
   (( segid "    " and resid "38  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HN  "))
 ASSI {  737}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
      3.400     1.400     1.400 peak   737 weight  0.10000E+01 volume  0.92900E+04 ppm1      8.693 ppm2      0.921
 OR {  737}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HG12")
     OR 
    ( segid "    " and resid "46  " and name "HG13")
     OR 
    ( segid "    " and resid "46  " and name "HG11"))
 ASSI {  743}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HG  "))
      4.200     2.200     2.200 peak   743 weight  0.10000E+01 volume  0.24280E+04 ppm1      7.650 ppm2      1.890
 OR {  743}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HB3 "))
 ASSI {  749}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HA  "))
      3.400     1.400     1.400 peak   749 weight  0.10000E+01 volume  0.94930E+04 ppm1      8.327 ppm2      4.114
 OR {  749}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HA  "))
 ASSI {  757}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "55  " and name "HB2 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB1 "))
      3.700     1.700     1.700 peak   757 weight  0.10000E+01 volume  0.48850E+04 ppm1      7.714 ppm2      1.453
 OR {  757}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HD2 "))
 ASSI {  766}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
      3.300     1.400     1.400 peak   766 weight  0.10000E+01 volume  0.96160E+04 ppm1      8.100 ppm2      0.457
 OR {  766}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HD12")
     OR 
    ( segid "    " and resid "18  " and name "HD13")
     OR 
    ( segid "    " and resid "18  " and name "HD11"))
 ASSI {  792}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HA  "))
      2.300     0.700     0.700 peak   792 weight  0.10000E+01 volume  0.96490E+05 ppm1      8.733 ppm2      4.884
 OR {  792}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HA  "))
 ASSI {  804}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HB2 ")
     OR 
    ( segid "    " and resid "61  " and name "HB3 ")
     OR 
    ( segid "    " and resid "61  " and name "HB1 "))
      4.300     2.300     2.300 peak   804 weight  0.10000E+01 volume  0.21790E+04 ppm1      8.242 ppm2      1.459
 OR {  804}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HG3 "))
 OR {  804}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HG2 "))
 ASSI {  806}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HA  "))
      4.200     2.200     2.200 peak   806 weight  0.10000E+01 volume  0.24900E+04 ppm1      8.008 ppm2      4.871
 OR {  806}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HA  "))
 ASSI {  808}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HB3 "))
      3.000     1.100     1.100 peak   808 weight  0.10000E+01 volume  0.18660E+05 ppm1      8.516 ppm2      1.751
 OR {  808}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HB3 "))
 ASSI {  834}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HD22")
     OR 
    ( segid "    " and resid "18  " and name "HD23")
     OR 
    ( segid "    " and resid "18  " and name "HD21"))
      3.800     1.800     1.800 peak   834 weight  0.10000E+01 volume  0.44710E+04 ppm1      9.087 ppm2      0.430
 OR {  834}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HD12")
     OR 
    ( segid "    " and resid "50  " and name "HD13")
     OR 
    ( segid "    " and resid "50  " and name "HD11"))
 ASSI {  846}
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HD12")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD11"))
      4.300     2.300     2.300 peak   846 weight  0.10000E+01 volume  0.21580E+04 ppm1      8.436 ppm2      0.962
 OR {  846}
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
 OR {  846}
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
 ASSI {  848}
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HG  "))
      4.300     2.300     2.300 peak   848 weight  0.10000E+01 volume  0.20630E+04 ppm1      8.435 ppm2      1.685
 OR {  848}
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HB2 "))
 OR {  848}
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HB2 "))
 ASSI {  849}
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HG  "))
      3.800     1.800     1.800 peak   849 weight  0.10000E+01 volume  0.41940E+04 ppm1      8.435 ppm2      1.535
 OR {  849}
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HG3 "))
 ASSI {  857}
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HN  "))
      2.900     1.100     1.100 peak   857 weight  0.10000E+01 volume  0.20880E+05 ppm1      8.338 ppm2      8.466
 OR {  857}
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HN  "))
 ASSI {  870}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HA  "))
      2.900     1.100     1.100 peak   870 weight  0.10000E+01 volume  0.23470E+05 ppm1      8.539 ppm2      3.883
 OR {  870}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HA  "))
 ASSI {  872}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HA  "))
      2.600     0.800     0.800 peak   872 weight  0.10000E+01 volume  0.42210E+05 ppm1      7.414 ppm2      4.283
 OR {  872}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HA  "))
 ASSI {  878}
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HG22")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG21"))
      3.500     1.500     1.500 peak   878 weight  0.10000E+01 volume  0.71130E+04 ppm1      7.673 ppm2      0.914
 OR {  878}
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HG22")
     OR 
    ( segid "    " and resid "46  " and name "HG23")
     OR 
    ( segid "    " and resid "46  " and name "HG21"))
 ASSI {  883}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HA  "))
      3.100     1.200     1.200 peak   883 weight  0.10000E+01 volume  0.14400E+05 ppm1      8.695 ppm2      4.223
 OR {  883}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HA  "))
 ASSI {  884}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HN  "))
      4.000     2.000     2.000 peak   884 weight  0.10000E+01 volume  0.35430E+04 ppm1      8.695 ppm2      7.740
 OR {  884}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "37  " and name "HN  "))
 ASSI {  904}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HE22"))
      4.300     2.300     2.300 peak   904 weight  0.10000E+01 volume  0.21110E+04 ppm1      8.174 ppm2      6.752
 OR {  904}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HN  "))
 ASSI {  910}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HD21"))
      4.300     2.300     2.300 peak   910 weight  0.10000E+01 volume  0.20450E+04 ppm1      8.206 ppm2      7.631
 OR {  910}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HN  "))
 ASSI {  921}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HA  "))
      4.000     2.000     2.000 peak   921 weight  0.10000E+01 volume  0.31380E+04 ppm1      7.899 ppm2      3.997
 OR {  921}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HA  "))
 ASSI {  922}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HA  "))
      2.900     1.100     1.100 peak   922 weight  0.10000E+01 volume  0.21400E+05 ppm1      8.695 ppm2      4.078
 OR {  922}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB2 "))
 OR {  922}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HA  "))
 OR {  922}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HA  "))
 ASSI {  933}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HD12")
     OR 
    ( segid "    " and resid "69  " and name "HD13")
     OR 
    ( segid "    " and resid "69  " and name "HD11"))
      3.400     1.400     1.400 peak   933 weight  0.10000E+01 volume  0.91310E+04 ppm1      8.103 ppm2      0.962
 OR {  933}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG12")
     OR 
    ( segid "    " and resid "56  " and name "HG13")
     OR 
    ( segid "    " and resid "56  " and name "HG11"))
 ASSI {  935}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HN  "))
      4.100     2.100     2.100 peak   935 weight  0.10000E+01 volume  0.27650E+04 ppm1      8.732 ppm2      8.484
 OR {  935}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HN  "))
 ASSI {  953}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HN  "))
      3.200     1.300     1.300 peak   953 weight  0.10000E+01 volume  0.12390E+05 ppm1      8.117 ppm2      7.758
 OR {  953}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HN  "))







REMARKS hydrogen bonds
REMARKS used with AVERage SUM POTEntial SOFT OREXponent 20


 assign (resid  12  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  11 : 13 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  12  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  11 : 13 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  13  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  12 : 14 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  13  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  12 : 14 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  14  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  13 : 15 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  14  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  13 : 15 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  15  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  14 : 16 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  15  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  14 : 16 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  16  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  15 : 17 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  16  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  15 : 17 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  17  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  16 : 18 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  17  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  16 : 18 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  18  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  17 : 19 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  18  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  17 : 19 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  19  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  18 : 20 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  19  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  18 : 20 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  20  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  19 : 21 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  20  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  19 : 21 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  29  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  28 : 30 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  29  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  28 : 30 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  30  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  29 : 31 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  30  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  29 : 31 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  31  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  30 : 32 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  31  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  30 : 32 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  32  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  31 : 33 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  32  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  31 : 33 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  33  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  32 : 34 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  33  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  32 : 34 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  34  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  33 : 35 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  34  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  33 : 35 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  35  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  34 : 36 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  35  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  34 : 36 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  36  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  35 : 37 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  36  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  35 : 37 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  37  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  36 : 38 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  37  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  36 : 38 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  38  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  37 : 39 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  38  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  37 : 39 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  44  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  43 : 45 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  44  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  43 : 45 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  45  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  44 : 46 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  45  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  44 : 46 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  46  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  45 : 47 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  46  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  45 : 47 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  48  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  47 : 49 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  48  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  47 : 49 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  49  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  48 : 50 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  49  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  48 : 50 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  50  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  49 : 51 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  50  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  49 : 51 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  51  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  50 : 52 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  51  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  50 : 52 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  53  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  52 : 54 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  53  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  52 : 54 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  54  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  53 : 55 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  54  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  53 : 55 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  56  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  55 : 57 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  56  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  55 : 57 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  63  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  62 : 64 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  63  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  62 : 64 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  66  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  65 : 67 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  66  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  65 : 67 ) and (name O or name OT#)))  2.2 0.5 0
 assign (resid  67  and name N)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  66 : 68 ) and (name O or name OT#)))  3.2 0.5 0
 assign (resid  67  and name HN)
        ((name O* and not (name O or name OT#)) or 
        (not (resid  66 : 68 ) and (name O or name OT#)))  2.2 0.5 0



REMARKS PHI restraints


! for couplings 1 < 5.5 Hz:   -80 to -40
! for couplings 1 > 8 Hz:     -160 to -80
! for couplings 1 > 9 Hz:     -140 to -100



! MET   1  -
! ARG   2  - 
! SER   3  -
! SER   4  - 
! ALA   5  - 
! LYS   6  - 
! GLN   7  - 
! GLU   8  
assign (resid 7 and name C) (resid 8 and name N) (resid 8 and name CA) (resid 8 and name C) 1 -60 20 2 
! GLU   9  - 
! LEU  10  
assign (resid 9 and name C) (resid 10 and name N) (resid 10 and name CA) (resid 10 and name C) 1 -60 20 2 
! VAL  11  
assign (resid 10 and name C) (resid 11 and name N) (resid 11 and name CA) (resid 11 and name C) 1 -60 20 2 
! LYS  12  
assign (resid 11 and name C) (resid 12 and name N) (resid 12 and name CA) (resid 12 and name C) 1 -60 20 2 
! ALA  13  
assign (resid 12 and name C) (resid 13 and name N) (resid 13 and name CA) (resid 13 and name C) 1 -60 20 2 
! PHE  14  
assign (resid 13 and name C) (resid 14 and name N) (resid 14 and name CA) (resid 14 and name C) 1 -60 20 2 
! LYS  15  
assign (resid 14 and name C) (resid 15 and name N) (resid 15 and name CA) (resid 15 and name C) 1 -60 20 2 
! ALA  16  
assign (resid 15 and name C) (resid 16 and name N) (resid 16 and name CA) (resid 16 and name C) 1 -60 20 2 
! LEU  17  
assign (resid 16 and name C) (resid 17 and name N) (resid 17 and name CA) (resid 17 and name C) 1 -60 20 2 
! LEU  18  
assign (resid 17 and name C) (resid 18 and name N) (resid 18 and name CA) (resid 18 and name C) 1 -60 20 2 
! LYS  19  
assign (resid 18 and name C) (resid 19 and name N) (resid 19 and name CA) (resid 19 and name C) 1 -60 20 2 
! GLU  20  - 
! GLU  21  -
! LYS  22  
assign (resid 21 and name C) (resid 22 and name N) (resid 22 and name CA) (resid 22 and name C) 1 -120 20 2 
! PHE  23  - 
! SER  24  
assign (resid 23 and name C) (resid 24 and name N) (resid 24 and name CA) (resid 24 and name C) 1 -120 40 2 
! SER  25  
assign (resid 24 and name C) (resid 25 and name N) (resid 25 and name CA) (resid 25 and name C) 1 -120 40 2 
! GLN  26  
assign (resid 25 and name C) (resid 26 and name N) (resid 26 and name CA) (resid 26 and name C) 1 -60 20 2 
! GLY  27  
! GLU  28  
assign (resid 27 and name C) (resid 28 and name N) (resid 28 and name CA) (resid 28 and name C) 1 -60 20 2 
! ILE  29  - 
! VAL  30  
assign (resid 29 and name C) (resid 30 and name N) (resid 30 and name CA) (resid 30 and name C) 1 -60 20 2 
! ALA  31  
assign (resid 30 and name C) (resid 31 and name N) (resid 31 and name CA) (resid 31 and name C) 1 -60 20 2 
! ALA  32  
assign (resid 31 and name C) (resid 32 and name N) (resid 32 and name CA) (resid 32 and name C) 1 -60 20 2 
! LEU  33  
assign (resid 32 and name C) (resid 33 and name N) (resid 33 and name CA) (resid 33 and name C) 1 -60 20 2 
! GLN  34  
assign (resid 33 and name C) (resid 34 and name N) (resid 34 and name CA) (resid 34 and name C) 1 -60 20 2 
! GLU  35  - 
! GLN  36  - 
! GLY  37   
! PHE  38  - 
! ASP  39  - 
! ASN  40  -  
! ILE  41  -  
! ASN  42  -  
! GLN  43  
assign (resid 42 and name C) (resid 43 and name N) (resid 43 and name CA) (resid 43 and name C) 1 -60 20 2 
! SER  44  
assign (resid 43 and name C) (resid 44 and name N) (resid 44 and name CA) (resid 44 and name C) 1 -60 20 2 
! LYS  45  
assign (resid 44 and name C) (resid 45 and name N) (resid 45 and name CA) (resid 45 and name C) 1 -60 20 2 
! VAL  46  
assign (resid 45 and name C) (resid 46 and name N) (resid 46 and name CA) (resid 46 and name C) 1 -60 20 2 
! SER  47  
assign (resid 46 and name C) (resid 47 and name N) (resid 47 and name CA) (resid 47 and name C) 1 -60 20 2 
! ARG  48  
assign (resid 47 and name C) (resid 48 and name N) (resid 48 and name CA) (resid 48 and name C) 1 -60 20 2 
! MET  49  
assign (resid 48 and name C) (resid 49 and name N) (resid 49 and name CA) (resid 49 and name C) 1 -60 20 2 
! LEU  50  
assign (resid 49 and name C) (resid 50 and name N) (resid 50 and name CA) (resid 50 and name C) 1 -60 20 2 
! THR  51  
assign (resid 50 and name C) (resid 51 and name N) (resid 51 and name CA) (resid 51 and name C) 1 -60 20 2 
! LYS  52  
assign (resid 51 and name C) (resid 52 and name N) (resid 52 and name CA) (resid 52 and name C) 1 -60 20 2 
! PHE  53  - 
! GLY  54   
! ALA  55   
assign (resid 54 and name C) (resid 55 and name N) (resid 55 and name CA) (resid 55 and name C) 1 -60 20 2
! VAL  56  
assign (resid 55 and name C) (resid 56 and name N) (resid 56 and name CA) (resid 56 and name C) 1 -120 20 2 
! ARG  57  
assign (resid 56 and name C) (resid 57 and name N) (resid 57 and name CA) (resid 57 and name C) 1 -120 40 2
! THR  58  
assign (resid 57 and name C) (resid 58 and name N) (resid 58 and name CA) (resid 58 and name C) 1 -120 40 2
! ARG  59  - 
! ASN  60  
assign (resid 59 and name C) (resid 60 and name N) (resid 60 and name CA) (resid 60 and name C) 1 -120 40 2 
! ALA  61  
assign (resid 60 and name C) (resid 61 and name N) (resid 61 and name CA) (resid 61 and name C) 1 -60 20 2 
! LYS  62  
assign (resid 61 and name C) (resid 62 and name N) (resid 62 and name CA) (resid 62 and name C) 1 -120 20 2 
! MET  63  - 
! GLU  64  
assign (resid 63 and name C) (resid 64 and name N) (resid 64 and name CA) (resid 64 and name C) 1 -120 40 2 
! MET  65  -  
! VAL  66  
assign (resid 65 and name C) (resid 66 and name N) (resid 66 and name CA) (resid 66 and name C) 1 -120 40 2 
! TYR  67  -  
! CYS  68  
assign (resid 67 and name C) (resid 68 and name N) (resid 68 and name CA) (resid 68 and name C) 1 -120 40 2 
! LEU  69  - 
! PRO  70
! ALA  71  
assign (resid 70 and name C) (resid 71 and name N) (resid 71 and name CA) (resid 71 and name C) 1 -60 20 2  
! GLU  72   -
! LEU  73   -
! GLY  74   -
! VAL  75   -
! PRO  76   -
! THR  77   -
! THR  78   -


REMARKS chi restraints

assign (resid 10 and name N) (resid 10 and name CA) (resid 10 and name CB) (resid 10 and name CG) 1 180 25 2 

assign (resid 14 and name N) (resid 14 and name CA) (resid 14 and name CB) (resid 14 and name CG) 1 180 25 2 

assign (resid 15 and name N) (resid 15 and name CA) (resid 15 and name CB) (resid 15 and name CG) 1 -60 25 2 

assign (resid 17 and name N) (resid 17 and name CA) (resid 17 and name CB) (resid 17 and name CG) 1 -60 25 2 

assign (resid 18 and name N) (resid 18 and name CA) (resid 18 and name CB) (resid 18 and name CG) 1 -60 25 2 

assign (resid 20 and name N) (resid 20 and name CA) (resid 20 and name CB) (resid 20 and name CG) 1 -60 25 2 

assign (resid 25 and name N) (resid 25 and name CA) (resid 25 and name CB) (resid 25 and name OG) 1 60 25 2 

assign (resid 26 and name N) (resid 26 and name CA) (resid 26 and name CB) (resid 26 and name CG) 1 -60 25 2 

assign (resid 33 and name N) (resid 33 and name CA) (resid 33 and name CB) (resid 33 and name CG) 1 -60 25 2 

assign (resid 36 and name N) (resid 36 and name CA) (resid 36 and name CB) (resid 36 and name CG) 1 -60 25 2 

assign (resid 38 and name N) (resid 38 and name CA) (resid 38 and name CB) (resid 38 and name CG) 1 -60 25 2 

assign (resid 42 and name N) (resid 42 and name CA) (resid 42 and name CB) (resid 42 and name CG) 1 60 25 2 

assign (resid 48 and name N) (resid 48 and name CA) (resid 48 and name CB) (resid 48 and name CG) 1 -60 25 2 

assign (resid 49 and name N) (resid 49 and name CA) (resid 49 and name CB) (resid 49 and name CG) 1 -60 25 2 

assign (resid 50 and name N) (resid 50 and name CA) (resid 50 and name CB) (resid 50 and name CG) 1 -60 25 2 

assign (resid 53 and name N) (resid 53 and name CA) (resid 53 and name CB) (resid 53 and name CG) 1 -60 25 2 

assign (resid 62 and name N) (resid 62 and name CA) (resid 62 and name CB) (resid 62 and name CG) 1 -60 25 2 

assign (resid 65 and name N) (resid 65 and name CA) (resid 65 and name CB) (resid 65 and name CG) 1 -60 25 2 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           HT3      MET   1 -27.718   9.854   6.519
    2   2H    MET   1           HT2      MET   1 -27.892  10.555   8.082
    3   3H    MET   1           HT1      MET   1 -26.379   9.886   7.596
    4    HA   MET   1           HA       MET   1 -27.153   8.232   8.865
    5   1HB   MET   1           HB2      MET   1 -29.326   9.461   9.250
    6   2HB   MET   1           HB3      MET   1 -29.941   8.730   7.778
    7   1HG   MET   1           HG2      MET   1 -30.753   7.523   9.688
    8   2HG   MET   1           HG3      MET   1 -29.642   6.504   8.779
    9   1HE   MET   1           HE2      MET   1 -29.473   9.266  11.609
   10   2HE   MET   1           HE3      MET   1 -30.536   7.990  12.199
   11   3HE   MET   1           HE1      MET   1 -28.973   8.261  12.970
   12    H    ARG   2           HN       ARG   2 -25.734   7.446   7.107
   13    HA   ARG   2           HA       ARG   2 -27.082   5.383   5.533
   14   1HB   ARG   2           HB2      ARG   2 -26.877   7.365   4.050
   15   2HB   ARG   2           HB3      ARG   2 -25.137   7.350   4.280
   16   1HG   ARG   2           HG2      ARG   2 -25.604   6.349   2.177
   17   2HG   ARG   2           HG3      ARG   2 -25.111   5.060   3.274
   18   1HD   ARG   2           HD2      ARG   2 -27.250   4.197   3.445
   19   2HD   ARG   2           HD3      ARG   2 -28.010   5.705   2.937
   20    HE   ARG   2           HE       ARG   2 -26.510   4.790   0.778
   21   1HH1  ARG   2          HH12      ARG   2 -29.255   3.698   2.684
   22   2HH1  ARG   2          HH11      ARG   2 -29.977   2.803   1.371
   23   1HH2  ARG   2          HH22      ARG   2 -27.460   3.614  -0.948
   24   2HH2  ARG   2          HH21      ARG   2 -28.953   2.754  -0.688
   25    H    SER   3           HN       SER   3 -26.175   3.698   6.464
   26    HA   SER   3           HA       SER   3 -23.269   3.654   6.984
   27   1HB   SER   3           HB2      SER   3 -25.364   1.717   8.014
   28   2HB   SER   3           HB3      SER   3 -23.687   1.860   8.544
   29    HG   SER   3           HG       SER   3 -24.172   3.906   9.390
   30    H    SER   4           HN       SER   4 -22.890   3.361   4.681
   31    HA   SER   4           HA       SER   4 -23.530   0.675   3.637
   32   1HB   SER   4           HB2      SER   4 -22.420   3.009   2.057
   33   2HB   SER   4           HB3      SER   4 -23.156   1.529   1.435
   34    HG   SER   4           HG       SER   4 -25.089   2.341   2.715
   35    H    ALA   5           HN       ALA   5 -21.964  -0.784   3.871
   36    HA   ALA   5           HA       ALA   5 -19.270  -0.066   4.551
   37   1HB   ALA   5           HB2      ALA   5 -20.471  -2.764   3.913
   38   2HB   ALA   5           HB3      ALA   5 -18.849  -2.498   4.551
   39   3HB   ALA   5           HB1      ALA   5 -20.257  -2.059   5.513
   40    H    LYS   6           HN       LYS   6 -18.627   1.172   2.724
   41    HA   LYS   6           HA       LYS   6 -18.296  -0.220   0.155
   42   1HB   LYS   6           HB2      LYS   6 -17.636   2.658   0.847
   43   2HB   LYS   6           HB3      LYS   6 -17.715   1.949  -0.762
   44   1HG   LYS   6           HG2      LYS   6 -20.175   1.464  -0.210
   45   2HG   LYS   6           HG3      LYS   6 -19.957   2.607   1.115
   46   1HD   LYS   6           HD2      LYS   6 -18.911   4.057  -0.895
   47   2HD   LYS   6           HD3      LYS   6 -20.057   3.075  -1.806
   48   1HE   LYS   6           HE2      LYS   6 -21.201   5.050  -1.207
   49   2HE   LYS   6           HE3      LYS   6 -21.821   3.779  -0.160
   50   1HZ   LYS   6           HZ3      LYS   6 -19.962   4.661   1.433
   51   2HZ   LYS   6           HZ2      LYS   6 -20.119   6.077   0.504
   52   3HZ   LYS   6           HZ1      LYS   6 -21.468   5.454   1.340
   53    H    GLN   7           HN       GLN   7 -16.127   0.019  -0.932
   54    HA   GLN   7           HA       GLN   7 -14.082  -0.820   0.917
   55   1HB   GLN   7           HB2      GLN   7 -14.487  -0.952  -1.991
   56   2HB   GLN   7           HB3      GLN   7 -12.808  -0.789  -1.499
   57   1HG   GLN   7           HG2      GLN   7 -13.285  -2.683   0.143
   58   2HG   GLN   7           HG3      GLN   7 -14.755  -2.956  -0.790
   59   1HE2  GLN   7          HE22      GLN   7 -11.791  -5.008  -2.001
   60   2HE2  GLN   7          HE21      GLN   7 -12.354  -4.650  -0.404
   61    H    GLU   8           HN       GLU   8 -14.787   1.899   1.307
   62    HA   GLU   8           HA       GLU   8 -12.579   3.522   0.348
   63   1HB   GLU   8           HB2      GLU   8 -14.645   4.123   2.487
   64   2HB   GLU   8           HB3      GLU   8 -13.516   5.279   1.791
   65   1HG   GLU   8           HG2      GLU   8 -14.584   4.773  -0.448
   66   2HG   GLU   8           HG3      GLU   8 -15.844   3.930   0.452
   67    H    GLU   9           HN       GLU   9 -12.464   1.009   2.268
   68    HA   GLU   9           HA       GLU   9 -10.830   2.199   4.415
   69   1HB   GLU   9           HB2      GLU   9 -12.331  -0.384   4.160
   70   2HB   GLU   9           HB3      GLU   9 -10.969  -0.280   5.266
   71   1HG   GLU   9           HG2      GLU   9 -13.141   1.774   5.370
   72   2HG   GLU   9           HG3      GLU   9 -13.369   0.198   6.123
   73    H    LEU  10           HN       LEU  10 -10.812  -0.363   1.943
   74    HA   LEU  10           HA       LEU  10  -8.209  -1.280   2.298
   75   1HB   LEU  10           HB2      LEU  10  -9.888  -2.343   0.833
   76   2HB   LEU  10           HB3      LEU  10  -9.714  -1.030  -0.315
   77    HG   LEU  10           HG       LEU  10  -7.418  -1.704  -0.785
   78   1HD1  LEU  10          HD12      LEU  10  -7.888  -3.654   1.439
   79   2HD1  LEU  10          HD13      LEU  10  -6.665  -3.929   0.203
   80   3HD1  LEU  10          HD11      LEU  10  -6.567  -2.505   1.231
   81   1HD2  LEU  10          HD22      LEU  10  -9.328  -2.780  -1.978
   82   2HD2  LEU  10          HD23      LEU  10  -7.854  -3.743  -1.941
   83   3HD2  LEU  10          HD21      LEU  10  -9.191  -4.134  -0.861
   84    H    VAL  11           HN       VAL  11  -9.319   1.718   0.944
   85    HA   VAL  11           HA       VAL  11  -6.825   2.334  -0.399
   86    HB   VAL  11           HB       VAL  11  -9.174   4.161   0.231
   87   1HG1  VAL  11          HG13      VAL  11  -6.602   4.585  -1.199
   88   2HG1  VAL  11          HG11      VAL  11  -8.056   5.316  -1.886
   89   3HG1  VAL  11          HG12      VAL  11  -7.568   5.705  -0.235
   90   1HG2  VAL  11          HG22      VAL  11  -8.794   2.099  -1.785
   91   2HG2  VAL  11          HG23      VAL  11 -10.244   3.002  -1.355
   92   3HG2  VAL  11          HG21      VAL  11  -9.097   3.677  -2.507
   93    H    LYS  12           HN       LYS  12  -8.381   3.339   2.711
   94    HA   LYS  12           HA       LYS  12  -6.307   5.231   3.307
   95   1HB   LYS  12           HB2      LYS  12  -7.196   5.291   5.571
   96   2HB   LYS  12           HB3      LYS  12  -8.441   5.508   4.363
   97   1HG   LYS  12           HG2      LYS  12  -9.480   4.173   5.891
   98   2HG   LYS  12           HG3      LYS  12  -8.896   3.008   4.723
   99   1HD   LYS  12           HD2      LYS  12  -7.980   1.934   6.462
  100   2HD   LYS  12           HD3      LYS  12  -6.784   3.231   6.466
  101   1HE   LYS  12           HE2      LYS  12  -7.437   3.439   8.622
  102   2HE   LYS  12           HE3      LYS  12  -8.712   4.419   7.903
  103   1HZ   LYS  12           HZ3      LYS  12  -8.955   1.515   8.513
  104   2HZ   LYS  12           HZ2      LYS  12  -9.540   2.764   9.515
  105   3HZ   LYS  12           HZ1      LYS  12 -10.195   2.540   7.960
  106    H    ALA  13           HN       ALA  13  -6.965   1.942   4.181
  107    HA   ALA  13           HA       ALA  13  -4.754   1.389   5.791
  108   1HB   ALA  13           HB1      ALA  13  -6.295  -0.435   3.942
  109   2HB   ALA  13           HB2      ALA  13  -5.096  -0.991   5.109
  110   3HB   ALA  13           HB3      ALA  13  -6.556  -0.181   5.667
  111    H    PHE  14           HN       PHE  14  -5.080   0.894   2.250
  112    HA   PHE  14           HA       PHE  14  -2.553  -0.094   1.708
  113   1HB   PHE  14           HB2      PHE  14  -4.533   0.176   0.098
  114   2HB   PHE  14           HB3      PHE  14  -3.977   1.814  -0.174
  115    HD1  PHE  14           HD2      PHE  14  -3.135  -1.763  -0.520
  116    HD2  PHE  14           HD1      PHE  14  -2.077   2.231  -1.567
  117    HE1  PHE  14           HE2      PHE  14  -1.578  -2.617  -2.205
  118    HE2  PHE  14           HE1      PHE  14  -0.516   1.368  -3.265
  119    HZ   PHE  14           HZ       PHE  14  -0.269  -1.054  -3.572
  120    H    LYS  15           HN       LYS  15  -3.495   3.338   1.254
  121    HA   LYS  15           HA       LYS  15  -1.006   4.405   0.785
  122   1HB   LYS  15           HB2      LYS  15  -3.155   5.827   2.372
  123   2HB   LYS  15           HB3      LYS  15  -1.975   6.536   1.279
  124   1HG   LYS  15           HG2      LYS  15  -3.944   4.569   0.214
  125   2HG   LYS  15           HG3      LYS  15  -4.481   6.204   0.555
  126   1HD   LYS  15           HD2      LYS  15  -1.989   5.854  -1.013
  127   2HD   LYS  15           HD3      LYS  15  -3.506   5.407  -1.789
  128   1HE   LYS  15           HE2      LYS  15  -2.680   7.832  -2.099
  129   2HE   LYS  15           HE3      LYS  15  -4.369   7.560  -1.676
  130   1HZ   LYS  15           HZ1      LYS  15  -2.630   7.891   0.604
  131   2HZ   LYS  15           HZ3      LYS  15  -2.730   9.266  -0.382
  132   3HZ   LYS  15           HZ2      LYS  15  -4.142   8.586   0.289
  133    H    ALA  16           HN       ALA  16  -2.547   3.854   3.935
  134    HA   ALA  16           HA       ALA  16  -0.630   5.155   5.539
  135   1HB   ALA  16           HB3      ALA  16  -2.859   4.570   6.359
  136   2HB   ALA  16           HB1      ALA  16  -2.441   2.858   6.289
  137   3HB   ALA  16           HB2      ALA  16  -1.597   3.930   7.408
  138    H    LEU  17           HN       LEU  17  -0.997   1.681   4.745
  139    HA   LEU  17           HA       LEU  17   1.161   0.614   6.109
  140   1HB   LEU  17           HB2      LEU  17  -0.035  -0.138   3.440
  141   2HB   LEU  17           HB3      LEU  17   1.231  -1.088   4.181
  142    HG   LEU  17           HG       LEU  17  -1.606  -0.743   5.034
  143   1HD1  LEU  17          HD11      LEU  17  -1.059  -2.584   3.562
  144   2HD1  LEU  17          HD12      LEU  17   0.176  -3.142   4.691
  145   3HD1  LEU  17          HD13      LEU  17  -1.525  -3.181   5.154
  146   1HD2  LEU  17          HD22      LEU  17   0.693  -1.470   6.810
  147   2HD2  LEU  17          HD23      LEU  17  -0.597  -0.298   7.087
  148   3HD2  LEU  17          HD21      LEU  17  -0.950  -2.025   7.121
  149    H    LEU  18           HN       LEU  18   1.149   1.946   2.824
  150    HA   LEU  18           HA       LEU  18   3.889   1.512   2.259
  151   1HB   LEU  18           HB2      LEU  18   2.113   3.683   1.146
  152   2HB   LEU  18           HB3      LEU  18   3.601   3.089   0.433
  153    HG   LEU  18           HG       LEU  18   1.274   1.240   0.862
  154   1HD1  LEU  18          HD11      LEU  18   1.294   3.547  -0.825
  155   2HD1  LEU  18          HD12      LEU  18   1.270   2.084  -1.813
  156   3HD1  LEU  18          HD13      LEU  18   0.033   2.344  -0.587
  157   1HD2  LEU  18          HD23      LEU  18   3.490   0.301   0.295
  158   2HD2  LEU  18          HD21      LEU  18   2.272   0.002  -0.945
  159   3HD2  LEU  18          HD22      LEU  18   3.478   1.263  -1.189
  160    H    LYS  19           HN       LYS  19   2.195   4.426   3.403
  161    HA   LYS  19           HA       LYS  19   4.442   6.077   3.547
  162   1HB   LYS  19           HB2      LYS  19   1.763   6.205   4.908
  163   2HB   LYS  19           HB3      LYS  19   2.985   7.456   5.124
  164   1HG   LYS  19           HG2      LYS  19   3.029   7.798   2.686
  165   2HG   LYS  19           HG3      LYS  19   1.749   6.596   2.502
  166   1HD   LYS  19           HD2      LYS  19   0.342   8.346   2.661
  167   2HD   LYS  19           HD3      LYS  19   0.692   8.303   4.387
  168   1HE   LYS  19           HE2      LYS  19   2.096  10.123   4.289
  169   2HE   LYS  19           HE3      LYS  19   2.536   9.830   2.609
  170   1HZ   LYS  19           HZ3      LYS  19  -0.243  10.551   3.148
  171   2HZ   LYS  19           HZ2      LYS  19   0.921  11.783   3.313
  172   3HZ   LYS  19           HZ1      LYS  19   0.754  10.962   1.832
  173    H    GLU  20           HN       GLU  20   3.521   3.548   5.712
  174    HA   GLU  20           HA       GLU  20   4.907   4.523   8.032
  175   1HB   GLU  20           HB2      GLU  20   3.887   1.798   7.231
  176   2HB   GLU  20           HB3      GLU  20   4.799   2.044   8.713
  177   1HG   GLU  20           HG2      GLU  20   3.093   3.708   9.422
  178   2HG   GLU  20           HG3      GLU  20   2.155   3.295   7.994
  179    H    GLU  21           HN       GLU  21   5.886   2.990   5.099
  180    HA   GLU  21           HA       GLU  21   7.854   2.320   4.224
  181   1HB   GLU  21           HB2      GLU  21   9.045   3.950   6.483
  182   2HB   GLU  21           HB3      GLU  21   9.946   3.317   5.113
  183   1HG   GLU  21           HG2      GLU  21   8.552   4.639   3.591
  184   2HG   GLU  21           HG3      GLU  21   7.679   5.294   4.971
  185    H    LYS  22           HN       LYS  22   7.101   0.194   4.936
  186    HA   LYS  22           HA       LYS  22   9.091  -1.120   6.659
  187   1HB   LYS  22           HB2      LYS  22   7.332  -0.933   8.197
  188   2HB   LYS  22           HB3      LYS  22   6.093  -1.117   6.967
  189   1HG   LYS  22           HG2      LYS  22   6.280  -3.431   6.930
  190   2HG   LYS  22           HG3      LYS  22   7.888  -3.415   7.658
  191   1HD   LYS  22           HD2      LYS  22   6.994  -2.813   9.796
  192   2HD   LYS  22           HD3      LYS  22   5.392  -2.546   9.110
  193   1HE   LYS  22           HE2      LYS  22   5.715  -4.715  10.369
  194   2HE   LYS  22           HE3      LYS  22   5.048  -4.855   8.744
  195   1HZ   LYS  22           HZ2      LYS  22   7.922  -5.238   9.402
  196   2HZ   LYS  22           HZ1      LYS  22   6.798  -6.507   9.264
  197   3HZ   LYS  22           HZ3      LYS  22   7.165  -5.544   7.908
  198    H    PHE  23           HN       PHE  23   6.488  -1.517   4.291
  199    HA   PHE  23           HA       PHE  23   7.195  -4.218   3.642
  200   1HB   PHE  23           HB2      PHE  23   5.355  -2.348   2.143
  201   2HB   PHE  23           HB3      PHE  23   5.366  -4.116   2.088
  202    HD1  PHE  23           HD2      PHE  23   4.958  -5.365   4.295
  203    HD2  PHE  23           HD1      PHE  23   4.085  -1.231   3.784
  204    HE1  PHE  23           HE2      PHE  23   3.508  -5.433   6.275
  205    HE2  PHE  23           HE1      PHE  23   2.638  -1.295   5.771
  206    HZ   PHE  23           HZ       PHE  23   2.336  -3.397   7.014
  207    H    SER  24           HN       SER  24   8.594  -4.914   2.212
  208    HA   SER  24           HA       SER  24   9.914  -2.988   0.446
  209   1HB   SER  24           HB2      SER  24  11.838  -4.363   0.543
  210   2HB   SER  24           HB3      SER  24  11.190  -4.353   2.178
  211    HG   SER  24           HG       SER  24  10.098  -6.391   1.543
  212    H    SER  25           HN       SER  25   7.444  -5.075   0.051
  213    HA   SER  25           HA       SER  25   7.806  -5.163  -2.799
  214   1HB   SER  25           HB2      SER  25   7.451  -7.712  -2.882
  215   2HB   SER  25           HB3      SER  25   9.059  -7.146  -2.446
  216    HG   SER  25           HG       SER  25   8.861  -8.129  -0.604
  217    H    GLN  26           HN       GLN  26   5.902  -6.439  -3.819
  218    HA   GLN  26           HA       GLN  26   3.446  -5.299  -2.919
  219   1HB   GLN  26           HB2      GLN  26   3.555  -7.631  -4.806
  220   2HB   GLN  26           HB3      GLN  26   2.498  -6.253  -4.814
  221   1HG   GLN  26           HG2      GLN  26   4.343  -4.815  -5.540
  222   2HG   GLN  26           HG3      GLN  26   5.415  -6.216  -5.551
  223   1HE2  GLN  26          HE22      GLN  26   4.002  -5.465  -8.967
  224   2HE2  GLN  26          HE21      GLN  26   4.706  -4.457  -7.752
  225    H    GLY  27           HN       GLY  27   4.396  -8.719  -3.225
  226   1HA   GLY  27           HA1      GLY  27   2.368  -9.979  -1.884
  227   2HA   GLY  27           HA2      GLY  27   4.020 -10.553  -1.868
  228    H    GLU  28           HN       GLU  28   4.941  -8.142  -0.370
  229    HA   GLU  28           HA       GLU  28   4.652  -9.120   2.273
  230   1HB   GLU  28           HB2      GLU  28   6.464  -7.560   1.005
  231   2HB   GLU  28           HB3      GLU  28   5.550  -6.318   1.834
  232   1HG   GLU  28           HG2      GLU  28   6.059  -7.250   3.964
  233   2HG   GLU  28           HG3      GLU  28   6.713  -8.712   3.235
  234    H    ILE  29           HN       ILE  29   3.341  -6.224   0.618
  235    HA   ILE  29           HA       ILE  29   1.727  -5.508   2.899
  236    HB   ILE  29           HB       ILE  29   1.964  -3.519   1.986
  237   1HG1  ILE  29          HG12      ILE  29   0.075  -4.391  -0.202
  238   2HG1  ILE  29          HG13      ILE  29  -0.410  -3.839   1.403
  239   1HG2  ILE  29          HG21      ILE  29   2.572  -4.775  -0.675
  240   2HG2  ILE  29          HG22      ILE  29   2.729  -3.065  -0.297
  241   3HG2  ILE  29          HG23      ILE  29   3.739  -4.241   0.534
  242   1HD1  ILE  29          HD12      ILE  29   1.169  -1.787   0.609
  243   2HD1  ILE  29          HD13      ILE  29   0.474  -2.304  -0.928
  244   3HD1  ILE  29          HD11      ILE  29  -0.579  -1.846   0.411
  245    H    VAL  30           HN       VAL  30   1.328  -7.549   0.139
  246    HA   VAL  30           HA       VAL  30  -1.498  -7.650  -0.056
  247    HB   VAL  30           HB       VAL  30   0.543  -9.833  -0.572
  248   1HG1  VAL  30          HG13      VAL  30  -2.402  -9.740  -1.145
  249   2HG1  VAL  30          HG11      VAL  30  -1.295 -10.821  -1.986
  250   3HG1  VAL  30          HG12      VAL  30  -1.505 -10.961  -0.242
  251   1HG2  VAL  30          HG22      VAL  30   0.395  -7.602  -1.977
  252   2HG2  VAL  30          HG23      VAL  30   0.678  -9.153  -2.752
  253   3HG2  VAL  30          HG21      VAL  30  -0.935  -8.454  -2.744
  254    H    ALA  31           HN       ALA  31   0.812  -9.625   1.788
  255    HA   ALA  31           HA       ALA  31  -1.117 -11.145   3.209
  256   1HB   ALA  31           HB1      ALA  31   1.791 -10.594   3.799
  257   2HB   ALA  31           HB2      ALA  31   0.800 -11.765   4.669
  258   3HB   ALA  31           HB3      ALA  31   1.119 -11.986   2.949
  259    H    ALA  32           HN       ALA  32   0.669  -8.177   4.000
  260    HA   ALA  32           HA       ALA  32   0.014  -7.868   6.669
  261   1HB   ALA  32           HB2      ALA  32   1.607  -6.462   5.397
  262   2HB   ALA  32           HB3      ALA  32   0.238  -5.621   4.669
  263   3HB   ALA  32           HB1      ALA  32   0.504  -5.530   6.412
  264    H    LEU  33           HN       LEU  33  -1.857  -6.614   3.871
  265    HA   LEU  33           HA       LEU  33  -3.902  -5.476   5.449
  266   1HB   LEU  33           HB2      LEU  33  -4.063  -6.364   2.570
  267   2HB   LEU  33           HB3      LEU  33  -5.230  -5.329   3.387
  268    HG   LEU  33           HG       LEU  33  -2.350  -4.497   3.262
  269   1HD1  LEU  33          HD13      LEU  33  -2.927  -5.043   0.959
  270   2HD1  LEU  33          HD11      LEU  33  -4.380  -4.047   1.081
  271   3HD1  LEU  33          HD12      LEU  33  -2.786  -3.301   1.189
  272   1HD2  LEU  33          HD21      LEU  33  -4.964  -2.997   3.365
  273   2HD2  LEU  33          HD22      LEU  33  -3.845  -3.246   4.706
  274   3HD2  LEU  33          HD23      LEU  33  -3.364  -2.260   3.326
  275    H    GLN  34           HN       GLN  34  -3.400  -8.795   4.445
  276    HA   GLN  34           HA       GLN  34  -6.108  -9.650   4.830
  277   1HB   GLN  34           HB2      GLN  34  -3.612 -11.342   5.117
  278   2HB   GLN  34           HB3      GLN  34  -5.250 -11.915   4.855
  279   1HG   GLN  34           HG2      GLN  34  -4.859 -10.258   2.699
  280   2HG   GLN  34           HG3      GLN  34  -3.256 -10.932   2.952
  281   1HE2  GLN  34          HE22      GLN  34  -4.930 -13.057   0.570
  282   2HE2  GLN  34          HE21      GLN  34  -4.335 -11.448   0.672
  283    H    GLU  35           HN       GLU  35  -3.345  -9.150   6.913
  284    HA   GLU  35           HA       GLU  35  -4.520 -10.364   9.258
  285   1HB   GLU  35           HB2      GLU  35  -2.197  -8.428   9.153
  286   2HB   GLU  35           HB3      GLU  35  -2.578  -9.583  10.424
  287   1HG   GLU  35           HG2      GLU  35  -2.314 -11.063   8.031
  288   2HG   GLU  35           HG3      GLU  35  -0.970  -9.927   8.080
  289    H    GLN  36           HN       GLN  36  -4.361  -7.170   7.818
  290    HA   GLN  36           HA       GLN  36  -5.219  -5.629  10.034
  291   1HB   GLN  36           HB2      GLN  36  -5.377  -5.155   7.056
  292   2HB   GLN  36           HB3      GLN  36  -5.916  -3.972   8.232
  293   1HG   GLN  36           HG2      GLN  36  -3.380  -4.609   9.108
  294   2HG   GLN  36           HG3      GLN  36  -3.219  -4.659   7.357
  295   1HE2  GLN  36          HE22      GLN  36  -2.979  -1.179   9.103
  296   2HE2  GLN  36          HE21      GLN  36  -2.622  -2.730   9.787
  297    H    GLY  37           HN       GLY  37  -7.031  -7.041   7.302
  298   1HA   GLY  37           HA1      GLY  37  -9.227  -8.009   8.397
  299   2HA   GLY  37           HA2      GLY  37  -9.566  -6.295   8.582
  300    H    PHE  38           HN       PHE  38  -7.921  -7.779   5.819
  301    HA   PHE  38           HA       PHE  38 -10.291  -7.205   4.148
  302   1HB   PHE  38           HB2      PHE  38  -7.427  -6.672   3.332
  303   2HB   PHE  38           HB3      PHE  38  -8.873  -6.346   2.382
  304    HD1  PHE  38           HD2      PHE  38 -10.308  -4.439   2.934
  305    HD2  PHE  38           HD1      PHE  38  -6.782  -5.270   5.155
  306    HE1  PHE  38           HE2      PHE  38 -10.393  -2.185   3.921
  307    HE2  PHE  38           HE1      PHE  38  -6.855  -3.033   6.141
  308    HZ   PHE  38           HZ       PHE  38  -8.644  -1.491   5.528
  309    H    ASP  39           HN       ASP  39 -10.987  -9.156   3.615
  310    HA   ASP  39           HA       ASP  39  -9.097 -11.288   2.905
  311   1HB   ASP  39           HB2      ASP  39 -12.060 -11.267   3.510
  312   2HB   ASP  39           HB3      ASP  39 -11.265 -12.676   2.819
  313    H    ASN  40           HN       ASN  40  -9.955  -8.861   1.256
  314    HA   ASN  40           HA       ASN  40 -10.496 -10.299  -1.243
  315   1HB   ASN  40           HB2      ASN  40 -12.443  -8.883  -0.441
  316   2HB   ASN  40           HB3      ASN  40 -11.411  -7.474  -0.645
  317   1HD2  ASN  40          HD22      ASN  40 -12.621  -9.519  -3.982
  318   2HD2  ASN  40          HD21      ASN  40 -12.336 -10.359  -2.495
  319    H    ILE  41           HN       ILE  41  -7.993 -10.224  -0.665
  320    HA   ILE  41           HA       ILE  41  -6.836  -8.083  -2.303
  321    HB   ILE  41           HB       ILE  41  -6.382  -8.507   0.593
  322   1HG1  ILE  41          HG12      ILE  41  -7.262  -6.440  -0.755
  323   2HG1  ILE  41          HG13      ILE  41  -6.222  -6.199   0.641
  324   1HG2  ILE  41          HG23      ILE  41  -4.037  -8.099  -1.252
  325   2HG2  ILE  41          HG21      ILE  41  -4.023  -7.658   0.455
  326   3HG2  ILE  41          HG22      ILE  41  -4.251  -9.342  -0.013
  327   1HD1  ILE  41          HD13      ILE  41  -4.916  -6.447  -2.000
  328   2HD1  ILE  41          HD11      ILE  41  -5.815  -4.971  -1.663
  329   3HD1  ILE  41          HD12      ILE  41  -4.489  -5.457  -0.608
  330    H    ASN  42           HN       ASN  42  -5.119  -8.685  -3.499
  331    HA   ASN  42           HA       ASN  42  -3.686 -11.151  -3.013
  332   1HB   ASN  42           HB2      ASN  42  -4.089 -12.047  -5.327
  333   2HB   ASN  42           HB3      ASN  42  -5.490 -12.109  -4.271
  334   1HD2  ASN  42          HD22      ASN  42  -7.394 -10.750  -6.820
  335   2HD2  ASN  42          HD21      ASN  42  -7.135 -12.022  -5.674
  336    H    GLN  43           HN       GLN  43  -2.067 -11.452  -5.010
  337    HA   GLN  43           HA       GLN  43  -0.300  -9.299  -4.940
  338   1HB   GLN  43           HB2      GLN  43   0.113 -11.775  -5.589
  339   2HB   GLN  43           HB3      GLN  43  -0.298 -11.270  -7.224
  340   1HG   GLN  43           HG2      GLN  43   1.514  -9.544  -7.051
  341   2HG   GLN  43           HG3      GLN  43   1.978 -10.271  -5.514
  342   1HE2  GLN  43          HE22      GLN  43   3.428 -13.145  -6.971
  343   2HE2  GLN  43          HE21      GLN  43   2.680 -12.504  -5.544
  344    H    SER  44           HN       SER  44  -2.753 -10.075  -7.371
  345    HA   SER  44           HA       SER  44  -1.995  -8.069  -9.234
  346   1HB   SER  44           HB2      SER  44  -3.789 -10.178  -9.235
  347   2HB   SER  44           HB3      SER  44  -4.838  -8.767  -9.313
  348    HG   SER  44           HG       SER  44  -2.746  -9.518 -11.078
  349    H    LYS  45           HN       LYS  45  -4.318  -8.105  -6.561
  350    HA   LYS  45           HA       LYS  45  -5.478  -5.563  -6.990
  351   1HB   LYS  45           HB2      LYS  45  -5.985  -7.600  -5.278
  352   2HB   LYS  45           HB3      LYS  45  -5.154  -6.510  -4.184
  353   1HG   LYS  45           HG2      LYS  45  -7.295  -5.829  -3.857
  354   2HG   LYS  45           HG3      LYS  45  -6.849  -4.750  -5.182
  355   1HD   LYS  45           HD2      LYS  45  -7.787  -6.555  -6.739
  356   2HD   LYS  45           HD3      LYS  45  -8.477  -7.287  -5.287
  357   1HE   LYS  45           HE2      LYS  45  -9.804  -5.355  -4.842
  358   2HE   LYS  45           HE3      LYS  45  -8.995  -4.429  -6.106
  359   1HZ   LYS  45           HZ2      LYS  45  -9.993  -6.680  -7.361
  360   2HZ   LYS  45           HZ1      LYS  45 -11.236  -6.174  -6.309
  361   3HZ   LYS  45           HZ3      LYS  45 -10.604  -5.093  -7.460
  362    H    VAL  46           HN       VAL  46  -2.648  -6.582  -5.166
  363    HA   VAL  46           HA       VAL  46  -2.067  -4.013  -4.042
  364    HB   VAL  46           HB       VAL  46  -0.587  -6.626  -4.117
  365   1HG1  VAL  46          HG12      VAL  46   0.347  -4.065  -2.827
  366   2HG1  VAL  46          HG13      VAL  46   1.047  -5.658  -2.565
  367   3HG1  VAL  46          HG11      VAL  46   1.142  -4.921  -4.155
  368   1HG2  VAL  46          HG23      VAL  46  -2.253  -5.094  -2.184
  369   2HG2  VAL  46          HG21      VAL  46  -2.219  -6.820  -2.521
  370   3HG2  VAL  46          HG22      VAL  46  -0.950  -6.087  -1.546
  371    H    SER  47           HN       SER  47  -0.812  -5.844  -6.839
  372    HA   SER  47           HA       SER  47   1.192  -3.910  -7.497
  373   1HB   SER  47           HB2      SER  47   1.187  -5.062  -9.749
  374   2HB   SER  47           HB3      SER  47   1.485  -6.115  -8.369
  375    HG   SER  47           HG       SER  47  -0.489  -6.995  -8.565
  376    H    ARG  48           HN       ARG  48  -2.202  -4.342  -8.335
  377    HA   ARG  48           HA       ARG  48  -2.309  -2.332 -10.366
  378   1HB   ARG  48           HB2      ARG  48  -4.403  -3.760  -8.732
  379   2HB   ARG  48           HB3      ARG  48  -4.845  -2.416  -9.778
  380   1HG   ARG  48           HG2      ARG  48  -4.173  -3.566 -11.724
  381   2HG   ARG  48           HG3      ARG  48  -3.325  -4.801 -10.795
  382   1HD   ARG  48           HD2      ARG  48  -5.423  -5.667 -11.659
  383   2HD   ARG  48           HD3      ARG  48  -5.458  -5.598  -9.897
  384    HE   ARG  48           HE       ARG  48  -6.577  -3.220 -10.799
  385   1HH1  ARG  48          HH12      ARG  48  -7.281  -6.647 -11.038
  386   2HH1  ARG  48          HH11      ARG  48  -9.001  -6.404 -11.158
  387   1HH2  ARG  48          HH22      ARG  48  -8.827  -2.910 -10.970
  388   2HH2  ARG  48          HH21      ARG  48  -9.878  -4.291 -11.125
  389    H    MET  49           HN       MET  49  -3.016  -2.340  -6.874
  390    HA   MET  49           HA       MET  49  -3.844   0.366  -6.744
  391   1HB   MET  49           HB2      MET  49  -2.982  -1.653  -4.706
  392   2HB   MET  49           HB3      MET  49  -3.155   0.032  -4.233
  393   1HG   MET  49           HG2      MET  49  -5.481  -0.047  -5.188
  394   2HG   MET  49           HG3      MET  49  -5.277  -1.789  -5.327
  395   1HE   MET  49           HE3      MET  49  -7.046   0.531  -3.788
  396   2HE   MET  49           HE1      MET  49  -7.845  -0.943  -3.242
  397   3HE   MET  49           HE2      MET  49  -7.196   0.197  -2.065
  398    H    LEU  50           HN       LEU  50  -0.640  -1.143  -6.513
  399    HA   LEU  50           HA       LEU  50   0.785   1.130  -5.596
  400   1HB   LEU  50           HB2      LEU  50   1.541  -1.367  -7.062
  401   2HB   LEU  50           HB3      LEU  50   2.706  -0.060  -7.001
  402    HG   LEU  50           HG       LEU  50   1.460  -1.029  -4.470
  403   1HD1  LEU  50          HD13      LEU  50   3.760  -2.341  -5.894
  404   2HD1  LEU  50          HD11      LEU  50   3.318  -2.632  -4.212
  405   3HD1  LEU  50          HD12      LEU  50   2.205  -3.074  -5.504
  406   1HD2  LEU  50          HD23      LEU  50   4.002   0.336  -5.229
  407   2HD2  LEU  50          HD21      LEU  50   2.731   0.873  -4.129
  408   3HD2  LEU  50          HD22      LEU  50   3.794  -0.452  -3.664
  409    H    THR  51           HN       THR  51   0.106  -0.055  -8.878
  410    HA   THR  51           HA       THR  51   1.389   2.113 -10.219
  411    HB   THR  51           HB       THR  51  -0.781   0.380 -11.416
  412    HG1  THR  51           HG1      THR  51   0.494  -1.153 -10.541
  413   1HG2  THR  51          HG21      THR  51   0.568   2.294 -12.650
  414   2HG2  THR  51          HG23      THR  51   1.764   1.008 -12.803
  415   3HG2  THR  51          HG22      THR  51   0.137   0.782 -13.449
  416    H    LYS  52           HN       LYS  52  -1.971   1.441  -9.290
  417    HA   LYS  52           HA       LYS  52  -3.216   3.623 -10.572
  418   1HB   LYS  52           HB2      LYS  52  -4.434   1.676  -9.699
  419   2HB   LYS  52           HB3      LYS  52  -4.040   2.160  -8.048
  420   1HG   LYS  52           HG2      LYS  52  -5.384   4.258  -9.591
  421   2HG   LYS  52           HG3      LYS  52  -6.342   2.792  -9.397
  422   1HD   LYS  52           HD2      LYS  52  -5.867   2.930  -6.912
  423   2HD   LYS  52           HD3      LYS  52  -5.148   4.512  -7.216
  424   1HE   LYS  52           HE2      LYS  52  -7.996   3.698  -7.793
  425   2HE   LYS  52           HE3      LYS  52  -7.458   4.724  -6.465
  426   1HZ   LYS  52           HZ1      LYS  52  -6.568   6.268  -8.214
  427   2HZ   LYS  52           HZ3      LYS  52  -7.400   5.336  -9.373
  428   3HZ   LYS  52           HZ2      LYS  52  -8.266   6.141  -8.147
  429    H    PHE  53           HN       PHE  53  -2.266   3.286  -7.140
  430    HA   PHE  53           HA       PHE  53  -2.805   6.012  -6.501
  431   1HB   PHE  53           HB2      PHE  53  -1.291   3.840  -5.031
  432   2HB   PHE  53           HB3      PHE  53  -1.556   5.442  -4.365
  433    HD1  PHE  53           HD2      PHE  53  -4.282   6.086  -4.945
  434    HD2  PHE  53           HD1      PHE  53  -2.601   2.315  -3.940
  435    HE1  PHE  53           HE2      PHE  53  -6.456   5.356  -4.058
  436    HE2  PHE  53           HE1      PHE  53  -4.760   1.579  -3.046
  437    HZ   PHE  53           HZ       PHE  53  -6.697   3.096  -3.105
  438    H    GLY  54           HN       GLY  54   0.082   4.295  -7.548
  439   1HA   GLY  54           HA1      GLY  54   1.949   5.226  -8.582
  440   2HA   GLY  54           HA2      GLY  54   1.385   6.826  -8.129
  441    H    ALA  55           HN       ALA  55   2.366   3.874  -6.364
  442    HA   ALA  55           HA       ALA  55   3.704   5.454  -4.330
  443   1HB   ALA  55           HB3      ALA  55   2.440   3.146  -4.090
  444   2HB   ALA  55           HB1      ALA  55   4.041   2.502  -4.453
  445   3HB   ALA  55           HB2      ALA  55   3.812   3.559  -3.065
  446    H    VAL  56           HN       VAL  56   5.981   4.976  -3.722
  447    HA   VAL  56           HA       VAL  56   7.698   4.337  -6.045
  448    HB   VAL  56           HB       VAL  56   9.261   6.140  -5.288
  449   1HG1  VAL  56          HG13      VAL  56   7.184   6.350  -6.969
  450   2HG1  VAL  56          HG11      VAL  56   6.735   7.592  -5.799
  451   3HG1  VAL  56          HG12      VAL  56   8.287   7.681  -6.629
  452   1HG2  VAL  56          HG21      VAL  56   7.508   6.265  -3.050
  453   2HG2  VAL  56          HG22      VAL  56   8.976   7.187  -3.351
  454   3HG2  VAL  56          HG23      VAL  56   7.422   7.806  -3.896
  455    H    ARG  57           HN       ARG  57   9.682   3.368  -5.600
  456    HA   ARG  57           HA       ARG  57   9.919   2.092  -2.955
  457   1HB   ARG  57           HB2      ARG  57  11.327   1.522  -5.581
  458   2HB   ARG  57           HB3      ARG  57  11.642   0.679  -4.072
  459   1HG   ARG  57           HG2      ARG  57   9.367  -0.157  -4.027
  460   2HG   ARG  57           HG3      ARG  57   9.014   0.707  -5.525
  461   1HD   ARG  57           HD2      ARG  57   9.679  -1.852  -5.527
  462   2HD   ARG  57           HD3      ARG  57  10.175  -0.767  -6.820
  463    HE   ARG  57           HE       ARG  57  12.363  -0.596  -5.727
  464   1HH1  ARG  57          HH12      ARG  57  10.353  -3.364  -4.880
  465   2HH1  ARG  57          HH11      ARG  57  11.706  -4.341  -4.385
  466   1HH2  ARG  57          HH22      ARG  57  14.118  -1.893  -5.089
  467   2HH2  ARG  57          HH21      ARG  57  13.837  -3.507  -4.499
  468    H    THR  58           HN       THR  58  11.179   3.126  -1.501
  469    HA   THR  58           HA       THR  58  13.626   4.481  -2.467
  470    HB   THR  58           HB       THR  58  13.170   6.387  -0.956
  471    HG1  THR  58           HG1      THR  58  11.145   4.770  -0.136
  472   1HG2  THR  58          HG23      THR  58  12.416   6.466  -3.337
  473   2HG2  THR  58          HG22      THR  58  10.807   6.013  -2.771
  474   3HG2  THR  58          HG21      THR  58  11.540   7.523  -2.228
  475    H    ARG  59           HN       ARG  59  15.197   4.960  -0.811
  476    HA   ARG  59           HA       ARG  59  15.536   2.797   1.054
  477   1HB   ARG  59           HB2      ARG  59  17.676   3.265   0.711
  478   2HB   ARG  59           HB3      ARG  59  17.217   4.613  -0.303
  479   1HG   ARG  59           HG2      ARG  59  17.424   6.161   1.466
  480   2HG   ARG  59           HG3      ARG  59  17.514   4.881   2.677
  481   1HD   ARG  59           HD2      ARG  59  19.720   5.823   2.269
  482   2HD   ARG  59           HD3      ARG  59  19.646   4.136   1.773
  483    HE   ARG  59           HE       ARG  59  20.034   4.757  -0.397
  484   1HH1  ARG  59          HH12      ARG  59  19.177   7.621   1.441
  485   2HH1  ARG  59          HH11      ARG  59  19.578   8.714   0.143
  486   1HH2  ARG  59          HH22      ARG  59  20.557   6.182  -2.066
  487   2HH2  ARG  59          HH21      ARG  59  20.358   7.894  -1.848
  488    H    ASN  60           HN       ASN  60  14.931   2.769   3.133
  489    HA   ASN  60           HA       ASN  60  13.700   5.144   4.286
  490   1HB   ASN  60           HB2      ASN  60  12.869   3.677   6.047
  491   2HB   ASN  60           HB3      ASN  60  12.503   3.019   4.462
  492   1HD2  ASN  60          HD22      ASN  60  13.498   0.054   6.114
  493   2HD2  ASN  60          HD21      ASN  60  12.150   1.078   5.772
  494    H    ALA  61           HN       ALA  61  14.141   4.650   7.018
  495    HA   ALA  61           HA       ALA  61  16.366   6.191   7.546
  496   1HB   ALA  61           HB3      ALA  61  14.514   5.810   9.121
  497   2HB   ALA  61           HB1      ALA  61  15.141   4.191   9.447
  498   3HB   ALA  61           HB2      ALA  61  16.099   5.613   9.873
  499    H    LYS  62           HN       LYS  62  16.217   2.636   7.417
  500    HA   LYS  62           HA       LYS  62  19.088   2.506   8.036
  501   1HB   LYS  62           HB2      LYS  62  16.995   0.330   7.995
  502   2HB   LYS  62           HB3      LYS  62  18.714   0.057   8.248
  503   1HG   LYS  62           HG2      LYS  62  18.027   0.124  10.411
  504   2HG   LYS  62           HG3      LYS  62  18.377   1.835  10.169
  505   1HD   LYS  62           HD2      LYS  62  16.264   2.372  10.637
  506   2HD   LYS  62           HD3      LYS  62  15.670   1.302   9.368
  507   1HE   LYS  62           HE2      LYS  62  14.704   0.685  11.505
  508   2HE   LYS  62           HE3      LYS  62  15.769  -0.595  10.929
  509   1HZ   LYS  62           HZ2      LYS  62  16.902   1.437  12.718
  510   2HZ   LYS  62           HZ1      LYS  62  15.863   0.268  13.392
  511   3HZ   LYS  62           HZ3      LYS  62  17.275  -0.224  12.578
  512    H    MET  63           HN       MET  63  17.964   3.308   5.380
  513    HA   MET  63           HA       MET  63  18.606   3.117   3.223
  514   1HB   MET  63           HB2      MET  63  20.549   0.932   3.889
  515   2HB   MET  63           HB3      MET  63  20.697   2.225   2.716
  516   1HG   MET  63           HG2      MET  63  20.698   3.761   4.830
  517   2HG   MET  63           HG3      MET  63  21.177   2.270   5.637
  518   1HE   MET  63           HE2      MET  63  22.970   0.679   3.918
  519   2HE   MET  63           HE3      MET  63  24.578   1.390   4.061
  520   3HE   MET  63           HE1      MET  63  23.570   1.201   5.496
  521    H    GLU  64           HN       GLU  64  16.710   0.960   4.530
  522    HA   GLU  64           HA       GLU  64  16.932  -1.226   2.648
  523   1HB   GLU  64           HB2      GLU  64  14.681  -0.623   4.575
  524   2HB   GLU  64           HB3      GLU  64  14.955  -2.132   3.719
  525   1HG   GLU  64           HG2      GLU  64  17.273  -2.020   4.974
  526   2HG   GLU  64           HG3      GLU  64  16.365  -0.998   6.083
  527    H    MET  65           HN       MET  65  16.037  -1.294   0.689
  528    HA   MET  65           HA       MET  65  14.545   0.924  -0.344
  529   1HB   MET  65           HB2      MET  65  15.209  -1.770  -1.566
  530   2HB   MET  65           HB3      MET  65  14.483  -0.429  -2.439
  531   1HG   MET  65           HG2      MET  65  17.226  -0.520  -1.210
  532   2HG   MET  65           HG3      MET  65  16.825  -0.517  -2.924
  533   1HE   MET  65           HE2      MET  65  15.692   1.360  -4.146
  534   2HE   MET  65           HE3      MET  65  14.482   1.928  -3.002
  535   3HE   MET  65           HE1      MET  65  15.677   3.050  -3.653
  536    H    VAL  66           HN       VAL  66  12.591   1.066   0.762
  537    HA   VAL  66           HA       VAL  66  10.714  -1.178   0.376
  538    HB   VAL  66           HB       VAL  66   9.484  -0.332   2.379
  539   1HG1  VAL  66          HG13      VAL  66  11.292  -2.176   2.333
  540   2HG1  VAL  66          HG11      VAL  66  12.300  -0.993   3.170
  541   3HG1  VAL  66          HG12      VAL  66  10.782  -1.526   3.896
  542   1HG2  VAL  66          HG21      VAL  66  11.924   1.424   2.699
  543   2HG2  VAL  66          HG22      VAL  66  10.258   1.954   2.464
  544   3HG2  VAL  66          HG23      VAL  66  10.720   1.130   3.953
  545    H    TYR  67           HN       TYR  67   8.445  -0.563   0.286
  546    HA   TYR  67           HA       TYR  67   7.978   1.473  -1.681
  547   1HB   TYR  67           HB2      TYR  67   6.354  -0.647  -0.325
  548   2HB   TYR  67           HB3      TYR  67   5.494   0.691  -1.066
  549    HD1  TYR  67           HD2      TYR  67   6.858   1.230  -3.526
  550    HD2  TYR  67           HD1      TYR  67   6.080  -2.521  -1.664
  551    HE1  TYR  67           HE2      TYR  67   6.940   0.129  -5.718
  552    HE2  TYR  67           HE1      TYR  67   6.145  -3.627  -3.861
  553    HH   TYR  67           HH       TYR  67   5.993  -1.961  -6.765
  554    H    CYS  68           HN       CYS  68   7.240   3.478  -1.373
  555    HA   CYS  68           HA       CYS  68   5.885   4.200   1.123
  556   1HB   CYS  68           HB2      CYS  68   7.205   6.164   1.496
  557   2HB   CYS  68           HB3      CYS  68   8.326   4.832   1.315
  558    HG   CYS  68           HG       CYS  68   9.408   6.454  -0.205
  559    H    LEU  69           HN       LEU  69   5.087   6.588   0.863
  560    HA   LEU  69           HA       LEU  69   3.892   6.780  -1.830
  561   1HB   LEU  69           HB2      LEU  69   2.525   6.393   0.431
  562   2HB   LEU  69           HB3      LEU  69   2.630   8.142   0.497
  563    HG   LEU  69           HG       LEU  69   1.606   8.225  -1.790
  564   1HD1  LEU  69          HD11      LEU  69   2.111   5.430  -1.688
  565   2HD1  LEU  69          HD12      LEU  69   0.366   5.661  -1.763
  566   3HD1  LEU  69          HD13      LEU  69   1.399   6.372  -2.998
  567   1HD2  LEU  69          HD21      LEU  69   0.286   8.524   0.277
  568   2HD2  LEU  69          HD22      LEU  69  -0.642   7.794  -1.031
  569   3HD2  LEU  69          HD23      LEU  69  -0.040   6.790   0.290
  570    HA   PRO  70           HA       PRO  70   5.977  10.760  -2.129
  571   1HB   PRO  70           HB2      PRO  70   5.046  11.447  -4.559
  572   2HB   PRO  70           HB3      PRO  70   6.222  10.151  -4.355
  573   1HG   PRO  70           HG2      PRO  70   3.249   9.960  -4.707
  574   2HG   PRO  70           HG3      PRO  70   4.534   9.044  -5.522
  575   1HD   PRO  70           HD2      PRO  70   3.139   8.077  -3.403
  576   2HD   PRO  70           HD3      PRO  70   4.818   7.614  -3.744
  577    H    ALA  71           HN       ALA  71   4.630  12.861  -3.502
  578    HA   ALA  71           HA       ALA  71   3.111  14.084  -1.495
  579   1HB   ALA  71           HB3      ALA  71   3.166  14.646  -4.460
  580   2HB   ALA  71           HB1      ALA  71   2.414  15.695  -3.259
  581   3HB   ALA  71           HB2      ALA  71   4.151  15.407  -3.215
  582    H    GLU  72           HN       GLU  72   0.823  14.680  -1.508
  583    HA   GLU  72           HA       GLU  72  -0.929  12.638  -1.413
  584   1HB   GLU  72           HB2      GLU  72  -1.793  15.417  -2.218
  585   2HB   GLU  72           HB3      GLU  72  -2.677  14.240  -1.265
  586   1HG   GLU  72           HG2      GLU  72  -0.291  15.866  -0.444
  587   2HG   GLU  72           HG3      GLU  72  -1.908  15.861   0.256
  588    H    LEU  73           HN       LEU  73  -1.325  11.180  -2.921
  589    HA   LEU  73           HA       LEU  73  -2.534  11.992  -5.457
  590   1HB   LEU  73           HB2      LEU  73   0.101  11.415  -5.467
  591   2HB   LEU  73           HB3      LEU  73  -0.526   9.788  -5.610
  592    HG   LEU  73           HG       LEU  73  -1.061  12.084  -7.504
  593   1HD1  LEU  73          HD12      LEU  73   1.143  10.421  -7.324
  594   2HD1  LEU  73          HD13      LEU  73   0.155   9.689  -8.585
  595   3HD1  LEU  73          HD11      LEU  73   0.657  11.372  -8.721
  596   1HD2  LEU  73          HD21      LEU  73  -2.141   9.279  -7.401
  597   2HD2  LEU  73          HD22      LEU  73  -3.021  10.800  -7.563
  598   3HD2  LEU  73          HD23      LEU  73  -2.055  10.196  -8.904
  599    H    GLY  74           HN       GLY  74  -4.415  10.956  -5.527
  600   1HA   GLY  74           HA1      GLY  74  -5.589   8.861  -5.837
  601   2HA   GLY  74           HA2      GLY  74  -4.544   8.136  -4.630
  602    H    VAL  75           HN       VAL  75  -6.673  10.985  -4.804
  603    HA   VAL  75           HA       VAL  75  -7.497  10.752  -2.074
  604    HB   VAL  75           HB       VAL  75  -7.370  12.929  -3.205
  605   1HG1  VAL  75          HG21      VAL  75  -8.341  11.880  -5.413
  606   2HG1  VAL  75          HG22      VAL  75  -9.877  12.419  -4.734
  607   3HG1  VAL  75          HG23      VAL  75  -8.587  13.579  -5.029
  608   1HG2  VAL  75          HG13      VAL  75 -10.152  12.217  -2.283
  609   2HG2  VAL  75          HG11      VAL  75  -8.817  12.814  -1.293
  610   3HG2  VAL  75          HG12      VAL  75  -9.550  13.859  -2.510
  611    HA   PRO  76           HA       PRO  76 -10.712   7.686  -2.679
  612   1HB   PRO  76           HB2      PRO  76 -12.218   8.236  -0.454
  613   2HB   PRO  76           HB3      PRO  76 -10.722   7.301  -0.428
  614   1HG   PRO  76           HG2      PRO  76 -11.161  10.192   0.228
  615   2HG   PRO  76           HG3      PRO  76 -10.168   8.987   1.074
  616   1HD   PRO  76           HD2      PRO  76  -9.086  10.812  -0.579
  617   2HD   PRO  76           HD3      PRO  76  -8.425   9.169  -0.440
  618    H    THR  77           HN       THR  77 -12.270   7.913  -4.171
  619    HA   THR  77           HA       THR  77 -14.523   9.647  -3.802
  620    HB   THR  77           HB       THR  77 -12.753  11.256  -4.606
  621    HG1  THR  77           HG1      THR  77 -14.498  12.199  -5.216
  622   1HG2  THR  77          HG22      THR  77 -11.669   9.610  -6.245
  623   2HG2  THR  77          HG21      THR  77 -12.974  10.062  -7.344
  624   3HG2  THR  77          HG23      THR  77 -11.862  11.289  -6.744
  625    H    THR  78           HN       THR  78 -12.683   7.550  -6.015
  626    HA   THR  78           HA       THR  78 -15.208   6.369  -6.922
  627    HB   THR  78           HB       THR  78 -13.001   7.238  -8.817
  628    HG1  THR  78           HG1      THR  78 -14.532   8.873  -7.894
  629   1HG2  THR  78          HG22      THR  78 -15.647   5.917  -9.362
  630   2HG2  THR  78          HG21      THR  78 -14.639   6.683 -10.591
  631   3HG2  THR  78          HG23      THR  78 -14.039   5.281  -9.706
   
  No H/Q in entry =         631
  Start of MODEL    2
    1   1H    MET   1           HT3      MET   1 -20.900  11.207   3.782
    2   2H    MET   1           HT2      MET   1 -19.789  12.033   4.806
    3   3H    MET   1           HT1      MET   1 -19.238  11.308   3.349
    4    HA   MET   1           HA       MET   1 -19.646   9.165   4.162
    5   1HB   MET   1           HB2      MET   1 -18.167  11.059   5.991
    6   2HB   MET   1           HB3      MET   1 -18.190   9.334   6.314
    7   1HG   MET   1           HG2      MET   1 -17.051   8.838   4.306
    8   2HG   MET   1           HG3      MET   1 -17.284  10.469   3.691
    9   1HE   MET   1           HE1      MET   1 -15.220  10.989   2.997
   10   2HE   MET   1           HE2      MET   1 -13.833  11.450   3.982
   11   3HE   MET   1           HE3      MET   1 -14.050   9.768   3.503
   12    H    ARG   2           HN       ARG   2 -21.534   8.267   4.791
   13    HA   ARG   2           HA       ARG   2 -22.879   9.217   7.243
   14   1HB   ARG   2           HB2      ARG   2 -23.842   7.432   4.996
   15   2HB   ARG   2           HB3      ARG   2 -24.783   7.823   6.427
   16   1HG   ARG   2           HG2      ARG   2 -23.807  10.226   5.164
   17   2HG   ARG   2           HG3      ARG   2 -24.703   9.229   4.019
   18   1HD   ARG   2           HD2      ARG   2 -26.206  10.780   5.118
   19   2HD   ARG   2           HD3      ARG   2 -26.590   9.124   5.583
   20    HE   ARG   2           HE       ARG   2 -26.011   9.600   7.755
   21   1HH1  ARG   2          HH12      ARG   2 -24.903  12.205   5.683
   22   2HH1  ARG   2          HH11      ARG   2 -24.489  13.255   7.008
   23   1HH2  ARG   2          HH22      ARG   2 -25.457  10.970   9.496
   24   2HH2  ARG   2          HH21      ARG   2 -24.800  12.553   9.176
   25    H    SER   3           HN       SER   3 -20.555   7.795   7.680
   26    HA   SER   3           HA       SER   3 -19.726   6.220   9.077
   27   1HB   SER   3           HB2      SER   3 -22.539   5.169   9.483
   28   2HB   SER   3           HB3      SER   3 -21.143   4.936  10.526
   29    HG   SER   3           HG       SER   3 -21.294   7.489  10.374
   30    H    SER   4           HN       SER   4 -22.372   4.642   7.246
   31    HA   SER   4           HA       SER   4 -20.916   2.205   6.910
   32   1HB   SER   4           HB2      SER   4 -23.295   3.019   5.237
   33   2HB   SER   4           HB3      SER   4 -22.792   1.401   5.724
   34    HG   SER   4           HG       SER   4 -23.559   1.736   7.746
   35    H    ALA   5           HN       ALA   5 -19.103   2.239   5.747
   36    HA   ALA   5           HA       ALA   5 -19.135   3.489   3.060
   37   1HB   ALA   5           HB1      ALA   5 -17.474   4.230   5.069
   38   2HB   ALA   5           HB2      ALA   5 -16.502   2.973   4.307
   39   3HB   ALA   5           HB3      ALA   5 -17.069   4.349   3.361
   40    H    LYS   6           HN       LYS   6 -19.374   1.927   1.569
   41    HA   LYS   6           HA       LYS   6 -18.845  -0.828   2.075
   42   1HB   LYS   6           HB2      LYS   6 -19.527   0.673  -0.456
   43   2HB   LYS   6           HB3      LYS   6 -19.333  -1.073  -0.404
   44   1HG   LYS   6           HG2      LYS   6 -21.100  -0.530   1.671
   45   2HG   LYS   6           HG3      LYS   6 -21.585   0.578   0.391
   46   1HD   LYS   6           HD2      LYS   6 -22.839  -1.371   0.012
   47   2HD   LYS   6           HD3      LYS   6 -21.535  -1.436  -1.171
   48   1HE   LYS   6           HE2      LYS   6 -21.936  -3.617  -0.103
   49   2HE   LYS   6           HE3      LYS   6 -20.312  -3.011   0.211
   50   1HZ   LYS   6           HZ2      LYS   6 -22.347  -2.343   2.192
   51   2HZ   LYS   6           HZ1      LYS   6 -21.893  -3.983   2.100
   52   3HZ   LYS   6           HZ3      LYS   6 -20.715  -2.792   2.409
   53    H    GLN   7           HN       GLN   7 -16.803  -1.358   2.480
   54    HA   GLN   7           HA       GLN   7 -14.604  -1.744   2.287
   55   1HB   GLN   7           HB2      GLN   7 -15.833  -2.438  -0.191
   56   2HB   GLN   7           HB3      GLN   7 -14.214  -1.837  -0.528
   57   1HG   GLN   7           HG2      GLN   7 -13.457  -3.408   1.358
   58   2HG   GLN   7           HG3      GLN   7 -15.041  -4.157   1.187
   59   1HE2  GLN   7          HE22      GLN   7 -12.927  -6.213  -0.867
   60   2HE2  GLN   7          HE21      GLN   7 -13.301  -5.912   0.794
   61    H    GLU   8           HN       GLU   8 -15.479   1.154   2.087
   62    HA   GLU   8           HA       GLU   8 -13.340   2.423   0.597
   63   1HB   GLU   8           HB2      GLU   8 -15.683   3.310   2.195
   64   2HB   GLU   8           HB3      GLU   8 -14.343   4.436   2.095
   65   1HG   GLU   8           HG2      GLU   8 -15.331   3.205  -0.424
   66   2HG   GLU   8           HG3      GLU   8 -16.317   4.443   0.354
   67    H    GLU   9           HN       GLU   9 -12.449   0.537   2.476
   68    HA   GLU   9           HA       GLU   9 -10.976   2.223   4.406
   69   1HB   GLU   9           HB2      GLU   9 -12.085  -0.565   4.779
   70   2HB   GLU   9           HB3      GLU   9 -10.853   0.119   5.830
   71   1HG   GLU   9           HG2      GLU   9 -13.404   1.618   5.389
   72   2HG   GLU   9           HG3      GLU   9 -13.379   0.240   6.484
   73    H    LEU  10           HN       LEU  10 -10.964  -0.589   2.269
   74    HA   LEU  10           HA       LEU  10  -8.398  -1.554   2.533
   75   1HB   LEU  10           HB2      LEU  10 -10.072  -2.602   1.107
   76   2HB   LEU  10           HB3      LEU  10 -10.020  -1.249  -0.005
   77    HG   LEU  10           HG       LEU  10  -7.723  -1.851  -0.644
   78   1HD1  LEU  10          HD12      LEU  10  -8.012  -3.691   1.652
   79   2HD1  LEU  10          HD13      LEU  10  -7.127  -4.290   0.251
   80   3HD1  LEU  10          HD11      LEU  10  -6.597  -2.819   1.063
   81   1HD2  LEU  10          HD21      LEU  10  -9.845  -2.989  -1.625
   82   2HD2  LEU  10          HD22      LEU  10  -8.249  -3.637  -2.013
   83   3HD2  LEU  10          HD23      LEU  10  -9.247  -4.417  -0.781
   84    H    VAL  11           HN       VAL  11  -9.437   1.347   0.833
   85    HA   VAL  11           HA       VAL  11  -6.885   1.884  -0.373
   86    HB   VAL  11           HB       VAL  11  -9.327   3.618   0.028
   87   1HG1  VAL  11          HG12      VAL  11  -6.606   4.377  -0.973
   88   2HG1  VAL  11          HG13      VAL  11  -8.046   5.136  -1.657
   89   3HG1  VAL  11          HG11      VAL  11  -7.710   5.278   0.067
   90   1HG2  VAL  11          HG21      VAL  11  -8.022   2.428  -2.422
   91   2HG2  VAL  11          HG22      VAL  11  -9.523   1.882  -1.665
   92   3HG2  VAL  11          HG23      VAL  11  -9.444   3.474  -2.423
   93    H    LYS  12           HN       LYS  12  -8.525   3.111   2.602
   94    HA   LYS  12           HA       LYS  12  -6.484   4.931   3.354
   95   1HB   LYS  12           HB2      LYS  12  -8.559   3.460   4.979
   96   2HB   LYS  12           HB3      LYS  12  -7.396   4.545   5.724
   97   1HG   LYS  12           HG2      LYS  12  -8.923   6.126   5.392
   98   2HG   LYS  12           HG3      LYS  12  -8.397   6.088   3.705
   99   1HD   LYS  12           HD2      LYS  12 -10.104   4.287   3.331
  100   2HD   LYS  12           HD3      LYS  12 -10.726   4.637   4.945
  101   1HE   LYS  12           HE2      LYS  12 -11.879   6.385   4.197
  102   2HE   LYS  12           HE3      LYS  12 -10.434   7.092   3.485
  103   1HZ   LYS  12           HZ3      LYS  12 -11.936   4.952   2.117
  104   2HZ   LYS  12           HZ2      LYS  12 -12.378   6.582   1.954
  105   3HZ   LYS  12           HZ1      LYS  12 -10.835   6.064   1.447
  106    H    ALA  13           HN       ALA  13  -6.995   1.523   4.056
  107    HA   ALA  13           HA       ALA  13  -4.783   1.130   5.783
  108   1HB   ALA  13           HB1      ALA  13  -6.232  -0.824   3.990
  109   2HB   ALA  13           HB2      ALA  13  -5.026  -1.278   5.194
  110   3HB   ALA  13           HB3      ALA  13  -6.534  -0.517   5.701
  111    H    PHE  14           HN       PHE  14  -5.130   0.716   2.244
  112    HA   PHE  14           HA       PHE  14  -2.575  -0.227   1.665
  113   1HB   PHE  14           HB2      PHE  14  -4.587   0.010   0.081
  114   2HB   PHE  14           HB3      PHE  14  -4.046   1.658  -0.189
  115    HD1  PHE  14           HD1      PHE  14  -3.125  -1.911  -0.503
  116    HD2  PHE  14           HD2      PHE  14  -2.168   2.103  -1.575
  117    HE1  PHE  14           HE1      PHE  14  -1.525  -2.734  -2.154
  118    HE2  PHE  14           HE2      PHE  14  -0.553   1.266  -3.236
  119    HZ   PHE  14           HZ       PHE  14  -0.246  -1.153  -3.510
  120    H    LYS  15           HN       LYS  15  -3.647   3.203   1.440
  121    HA   LYS  15           HA       LYS  15  -1.195   4.345   0.878
  122   1HB   LYS  15           HB2      LYS  15  -3.264   5.634   2.694
  123   2HB   LYS  15           HB3      LYS  15  -2.107   6.446   1.648
  124   1HG   LYS  15           HG2      LYS  15  -4.279   4.680   0.585
  125   2HG   LYS  15           HG3      LYS  15  -4.528   6.387   0.896
  126   1HD   LYS  15           HD2      LYS  15  -2.121   5.975  -0.630
  127   2HD   LYS  15           HD3      LYS  15  -3.467   5.137  -1.393
  128   1HE   LYS  15           HE2      LYS  15  -3.027   7.561  -2.112
  129   2HE   LYS  15           HE3      LYS  15  -4.682   7.106  -1.719
  130   1HZ   LYS  15           HZ3      LYS  15  -3.301   8.086   0.587
  131   2HZ   LYS  15           HZ2      LYS  15  -3.281   9.227  -0.675
  132   3HZ   LYS  15           HZ1      LYS  15  -4.763   8.614  -0.105
  133    H    ALA  16           HN       ALA  16  -2.582   3.647   4.075
  134    HA   ALA  16           HA       ALA  16  -0.584   4.801   5.671
  135   1HB   ALA  16           HB2      ALA  16  -2.843   4.074   6.451
  136   2HB   ALA  16           HB3      ALA  16  -2.262   2.408   6.414
  137   3HB   ALA  16           HB1      ALA  16  -1.513   3.582   7.499
  138    H    LEU  17           HN       LEU  17  -0.929   1.396   4.591
  139    HA   LEU  17           HA       LEU  17   1.295   0.296   5.854
  140   1HB   LEU  17           HB2      LEU  17   0.085  -0.377   3.169
  141   2HB   LEU  17           HB3      LEU  17   1.326  -1.344   3.933
  142    HG   LEU  17           HG       LEU  17  -1.531  -0.990   4.734
  143   1HD1  LEU  17          HD11      LEU  17   0.266  -3.329   4.209
  144   2HD1  LEU  17          HD12      LEU  17  -1.349  -3.485   4.901
  145   3HD1  LEU  17          HD13      LEU  17  -1.142  -2.810   3.285
  146   1HD2  LEU  17          HD23      LEU  17   0.716  -1.858   6.531
  147   2HD2  LEU  17          HD21      LEU  17  -0.483  -0.597   6.818
  148   3HD2  LEU  17          HD22      LEU  17  -0.966  -2.291   6.816
  149    H    LEU  18           HN       LEU  18   1.114   1.885   2.696
  150    HA   LEU  18           HA       LEU  18   3.877   1.548   2.037
  151   1HB   LEU  18           HB2      LEU  18   1.939   3.615   0.995
  152   2HB   LEU  18           HB3      LEU  18   3.464   3.163   0.262
  153    HG   LEU  18           HG       LEU  18   1.210   1.185   0.608
  154   1HD1  LEU  18          HD11      LEU  18   1.350   3.470  -1.142
  155   2HD1  LEU  18          HD12      LEU  18   1.299   1.961  -2.057
  156   3HD1  LEU  18          HD13      LEU  18   0.040   2.325  -0.880
  157   1HD2  LEU  18          HD22      LEU  18   3.528   0.346   0.160
  158   2HD2  LEU  18          HD23      LEU  18   2.348  -0.064  -1.085
  159   3HD2  LEU  18          HD21      LEU  18   3.492   1.247  -1.360
  160    H    LYS  19           HN       LYS  19   2.020   4.354   3.213
  161    HA   LYS  19           HA       LYS  19   4.185   6.133   3.351
  162   1HB   LYS  19           HB2      LYS  19   1.502   6.122   4.728
  163   2HB   LYS  19           HB3      LYS  19   2.651   7.448   4.879
  164   1HG   LYS  19           HG2      LYS  19   2.577   7.830   2.479
  165   2HG   LYS  19           HG3      LYS  19   1.491   6.451   2.268
  166   1HD   LYS  19           HD2      LYS  19  -0.292   7.712   2.736
  167   2HD   LYS  19           HD3      LYS  19   0.427   8.250   4.252
  168   1HE   LYS  19           HE2      LYS  19   0.870   9.465   1.522
  169   2HE   LYS  19           HE3      LYS  19  -0.086  10.149   2.833
  170   1HZ   LYS  19           HZ2      LYS  19   2.620   9.550   3.612
  171   2HZ   LYS  19           HZ1      LYS  19   2.528  10.677   2.345
  172   3HZ   LYS  19           HZ3      LYS  19   1.718  10.978   3.812
  173    H    GLU  20           HN       GLU  20   3.330   3.580   5.520
  174    HA   GLU  20           HA       GLU  20   4.634   4.636   7.860
  175   1HB   GLU  20           HB2      GLU  20   3.481   1.977   7.082
  176   2HB   GLU  20           HB3      GLU  20   4.539   2.073   8.484
  177   1HG   GLU  20           HG2      GLU  20   3.060   3.656   9.549
  178   2HG   GLU  20           HG3      GLU  20   2.035   3.717   8.118
  179    H    GLU  21           HN       GLU  21   5.694   3.145   4.959
  180    HA   GLU  21           HA       GLU  21   7.685   2.466   4.138
  181   1HB   GLU  21           HB2      GLU  21   8.929   3.895   6.493
  182   2HB   GLU  21           HB3      GLU  21   9.699   3.500   4.965
  183   1HG   GLU  21           HG2      GLU  21   7.983   4.977   3.854
  184   2HG   GLU  21           HG3      GLU  21   7.518   5.509   5.468
  185    H    LYS  22           HN       LYS  22   7.130   0.278   4.577
  186    HA   LYS  22           HA       LYS  22   8.974  -1.032   6.434
  187   1HB   LYS  22           HB2      LYS  22   7.065  -1.026   7.816
  188   2HB   LYS  22           HB3      LYS  22   5.974  -1.305   6.468
  189   1HG   LYS  22           HG2      LYS  22   6.214  -3.552   6.545
  190   2HG   LYS  22           HG3      LYS  22   7.916  -3.464   6.996
  191   1HD   LYS  22           HD2      LYS  22   7.069  -4.270   8.941
  192   2HD   LYS  22           HD3      LYS  22   6.921  -2.546   9.265
  193   1HE   LYS  22           HE2      LYS  22   4.655  -4.041   7.986
  194   2HE   LYS  22           HE3      LYS  22   4.912  -4.133   9.727
  195   1HZ   LYS  22           HZ1      LYS  22   4.877  -1.633   9.724
  196   2HZ   LYS  22           HZ3      LYS  22   4.321  -1.703   8.118
  197   3HZ   LYS  22           HZ2      LYS  22   3.394  -2.382   9.368
  198    H    PHE  23           HN       PHE  23   6.399  -1.630   4.067
  199    HA   PHE  23           HA       PHE  23   7.462  -4.138   3.223
  200   1HB   PHE  23           HB2      PHE  23   5.376  -2.430   1.840
  201   2HB   PHE  23           HB3      PHE  23   5.615  -4.177   1.676
  202    HD1  PHE  23           HD1      PHE  23   5.253  -5.642   3.681
  203    HD2  PHE  23           HD2      PHE  23   4.079  -1.560   3.618
  204    HE1  PHE  23           HE1      PHE  23   3.794  -6.040   5.613
  205    HE2  PHE  23           HE2      PHE  23   2.612  -1.952   5.550
  206    HZ   PHE  23           HZ       PHE  23   2.462  -4.193   6.547
  207    H    SER  24           HN       SER  24   8.825  -4.617   1.653
  208    HA   SER  24           HA       SER  24   9.773  -2.480  -0.149
  209   1HB   SER  24           HB2      SER  24  11.708  -4.253  -0.463
  210   2HB   SER  24           HB3      SER  24  11.686  -3.191   0.937
  211    HG   SER  24           HG       SER  24  11.320  -4.835   2.212
  212    H    SER  25           HN       SER  25   7.910  -5.288  -0.132
  213    HA   SER  25           HA       SER  25   7.914  -5.354  -3.067
  214   1HB   SER  25           HB2      SER  25   7.650  -7.908  -2.876
  215   2HB   SER  25           HB3      SER  25   9.261  -7.244  -2.626
  216    HG   SER  25           HG       SER  25   9.239  -7.922  -0.639
  217    H    GLN  26           HN       GLN  26   5.972  -6.565  -3.902
  218    HA   GLN  26           HA       GLN  26   3.589  -5.442  -2.824
  219   1HB   GLN  26           HB2      GLN  26   3.631  -7.758  -4.744
  220   2HB   GLN  26           HB3      GLN  26   2.496  -6.450  -4.624
  221   1HG   GLN  26           HG2      GLN  26   4.191  -4.884  -5.455
  222   2HG   GLN  26           HG3      GLN  26   5.320  -6.225  -5.617
  223   1HE2  GLN  26          HE22      GLN  26   3.723  -5.515  -8.894
  224   2HE2  GLN  26          HE21      GLN  26   4.602  -4.580  -7.733
  225    H    GLY  27           HN       GLY  27   4.522  -8.865  -3.148
  226   1HA   GLY  27           HA1      GLY  27   2.555 -10.224  -1.952
  227   2HA   GLY  27           HA2      GLY  27   4.226 -10.671  -1.716
  228    H    GLU  28           HN       GLU  28   5.092  -8.612  -0.022
  229    HA   GLU  28           HA       GLU  28   4.206  -9.590   2.463
  230   1HB   GLU  28           HB2      GLU  28   5.839  -7.130   1.814
  231   2HB   GLU  28           HB3      GLU  28   5.610  -7.780   3.435
  232   1HG   GLU  28           HG2      GLU  28   6.469  -9.935   1.831
  233   2HG   GLU  28           HG3      GLU  28   7.490  -8.567   1.405
  234    H    ILE  29           HN       ILE  29   3.290  -6.632   0.697
  235    HA   ILE  29           HA       ILE  29   1.693  -5.655   2.901
  236    HB   ILE  29           HB       ILE  29   2.170  -3.755   1.881
  237   1HG1  ILE  29          HG12      ILE  29   0.041  -4.521  -0.119
  238   2HG1  ILE  29          HG13      ILE  29  -0.258  -3.886   1.497
  239   1HG2  ILE  29          HG22      ILE  29   3.694  -4.899   0.281
  240   2HG2  ILE  29          HG23      ILE  29   2.345  -4.973  -0.848
  241   3HG2  ILE  29          HG21      ILE  29   2.965  -3.418  -0.321
  242   1HD1  ILE  29          HD13      ILE  29   1.413  -1.997   0.486
  243   2HD1  ILE  29          HD11      ILE  29   0.532  -2.504  -0.957
  244   3HD1  ILE  29          HD12      ILE  29  -0.347  -1.912   0.456
  245    H    VAL  30           HN       VAL  30   1.215  -7.798   0.206
  246    HA   VAL  30           HA       VAL  30  -1.611  -7.756   0.005
  247    HB   VAL  30           HB       VAL  30   0.168 -10.193  -0.340
  248   1HG1  VAL  30          HG11      VAL  30  -2.633  -9.564  -1.236
  249   2HG1  VAL  30          HG12      VAL  30  -1.677 -10.874  -1.923
  250   3HG1  VAL  30          HG13      VAL  30  -2.093 -10.894  -0.212
  251   1HG2  VAL  30          HG23      VAL  30   0.585  -8.002  -1.779
  252   2HG2  VAL  30          HG21      VAL  30   0.673  -9.609  -2.481
  253   3HG2  VAL  30          HG22      VAL  30  -0.777  -8.641  -2.685
  254    H    ALA  31           HN       ALA  31   0.596  -9.713   1.998
  255    HA   ALA  31           HA       ALA  31  -1.445 -11.032   3.506
  256   1HB   ALA  31           HB1      ALA  31   1.494 -10.629   4.087
  257   2HB   ALA  31           HB2      ALA  31   0.416 -11.652   5.037
  258   3HB   ALA  31           HB3      ALA  31   0.738 -12.040   3.346
  259    H    ALA  32           HN       ALA  32   0.447  -8.077   3.981
  260    HA   ALA  32           HA       ALA  32  -0.125  -7.530   6.636
  261   1HB   ALA  32           HB3      ALA  32   1.513  -6.307   5.265
  262   2HB   ALA  32           HB1      ALA  32   0.187  -5.478   4.455
  263   3HB   ALA  32           HB2      ALA  32   0.451  -5.241   6.182
  264    H    LEU  33           HN       LEU  33  -2.156  -6.915   3.793
  265    HA   LEU  33           HA       LEU  33  -4.108  -5.389   5.286
  266   1HB   LEU  33           HB2      LEU  33  -4.413  -6.687   2.571
  267   2HB   LEU  33           HB3      LEU  33  -5.490  -5.494   3.282
  268    HG   LEU  33           HG       LEU  33  -2.590  -4.861   2.752
  269   1HD1  LEU  33          HD12      LEU  33  -4.920  -4.763   0.862
  270   2HD1  LEU  33          HD13      LEU  33  -3.517  -3.718   0.676
  271   3HD1  LEU  33          HD11      LEU  33  -3.325  -5.467   0.607
  272   1HD2  LEU  33          HD23      LEU  33  -5.062  -3.171   3.091
  273   2HD2  LEU  33          HD21      LEU  33  -3.748  -3.356   4.250
  274   3HD2  LEU  33          HD22      LEU  33  -3.456  -2.560   2.705
  275    H    GLN  34           HN       GLN  34  -3.594  -8.782   4.502
  276    HA   GLN  34           HA       GLN  34  -6.196  -9.704   5.205
  277   1HB   GLN  34           HB2      GLN  34  -3.545 -11.172   5.183
  278   2HB   GLN  34           HB3      GLN  34  -5.113 -11.938   5.401
  279   1HG   GLN  34           HG2      GLN  34  -5.803 -11.263   3.188
  280   2HG   GLN  34           HG3      GLN  34  -4.306 -10.362   2.962
  281   1HE2  GLN  34          HE22      GLN  34  -3.734 -13.445   1.161
  282   2HE2  GLN  34          HE21      GLN  34  -4.633 -11.974   1.017
  283    H    GLU  35           HN       GLU  35  -3.241  -9.087   7.047
  284    HA   GLU  35           HA       GLU  35  -4.312 -10.165   9.509
  285   1HB   GLU  35           HB2      GLU  35  -2.276  -9.422  10.558
  286   2HB   GLU  35           HB3      GLU  35  -1.877 -10.178   9.022
  287   1HG   GLU  35           HG2      GLU  35  -1.124  -8.288   8.091
  288   2HG   GLU  35           HG3      GLU  35  -2.197  -7.243   9.008
  289    H    GLN  36           HN       GLN  36  -4.725  -7.263   7.803
  290    HA   GLN  36           HA       GLN  36  -5.194  -5.536  10.096
  291   1HB   GLN  36           HB2      GLN  36  -5.309  -5.188   7.130
  292   2HB   GLN  36           HB3      GLN  36  -6.169  -4.053   8.152
  293   1HG   GLN  36           HG2      GLN  36  -3.370  -4.580   8.920
  294   2HG   GLN  36           HG3      GLN  36  -3.598  -3.761   7.377
  295   1HE2  GLN  36          HE22      GLN  36  -3.886  -0.710   8.996
  296   2HE2  GLN  36          HE21      GLN  36  -3.215  -1.663   7.720
  297    H    GLY  37           HN       GLY  37  -7.239  -6.637   7.376
  298   1HA   GLY  37           HA1      GLY  37  -9.326  -7.740   8.770
  299   2HA   GLY  37           HA2      GLY  37  -9.660  -6.013   8.794
  300    H    PHE  38           HN       PHE  38  -8.127  -7.710   6.083
  301    HA   PHE  38           HA       PHE  38 -10.590  -7.243   4.503
  302   1HB   PHE  38           HB2      PHE  38  -7.747  -6.962   3.507
  303   2HB   PHE  38           HB3      PHE  38  -9.222  -6.641   2.596
  304    HD1  PHE  38           HD2      PHE  38 -10.655  -4.721   3.186
  305    HD2  PHE  38           HD1      PHE  38  -6.896  -5.364   5.062
  306    HE1  PHE  38           HE2      PHE  38 -10.661  -2.407   4.009
  307    HE2  PHE  38           HE1      PHE  38  -6.895  -3.059   5.887
  308    HZ   PHE  38           HZ       PHE  38  -8.767  -1.575   5.356
  309    H    ASP  39           HN       ASP  39 -11.054  -8.693   2.849
  310    HA   ASP  39           HA       ASP  39  -9.476 -11.093   2.553
  311   1HB   ASP  39           HB2      ASP  39 -11.226 -11.539   4.368
  312   2HB   ASP  39           HB3      ASP  39 -12.446 -11.329   3.114
  313    H    ASN  40           HN       ASN  40  -9.530 -11.791   0.586
  314    HA   ASN  40           HA       ASN  40 -10.209 -12.181  -1.611
  315   1HB   ASN  40           HB2      ASN  40 -12.588 -11.392  -1.013
  316   2HB   ASN  40           HB3      ASN  40 -12.063  -9.791  -1.515
  317   1HD2  ASN  40          HD22      ASN  40 -12.327 -12.735  -4.355
  318   2HD2  ASN  40          HD21      ASN  40 -11.870 -13.132  -2.733
  319    H    ILE  41           HN       ILE  41  -7.973 -11.254  -0.948
  320    HA   ILE  41           HA       ILE  41  -7.384  -8.966  -2.708
  321    HB   ILE  41           HB       ILE  41  -6.876  -9.195   0.201
  322   1HG1  ILE  41          HG12      ILE  41  -8.164  -7.411  -1.276
  323   2HG1  ILE  41          HG13      ILE  41  -7.321  -6.942   0.196
  324   1HG2  ILE  41          HG23      ILE  41  -4.661  -8.279  -1.618
  325   2HG2  ILE  41          HG21      ILE  41  -4.773  -7.859   0.087
  326   3HG2  ILE  41          HG22      ILE  41  -4.602  -9.548  -0.389
  327   1HD1  ILE  41          HD12      ILE  41  -5.727  -6.863  -2.270
  328   2HD1  ILE  41          HD13      ILE  41  -7.027  -5.676  -2.136
  329   3HD1  ILE  41          HD11      ILE  41  -5.767  -5.751  -0.902
  330    H    ASN  42           HN       ASN  42  -5.431  -9.143  -3.824
  331    HA   ASN  42           HA       ASN  42  -3.699 -11.442  -3.345
  332   1HB   ASN  42           HB2      ASN  42  -3.907 -12.290  -5.642
  333   2HB   ASN  42           HB3      ASN  42  -5.455 -12.344  -4.813
  334   1HD2  ASN  42          HD22      ASN  42  -6.132 -11.123  -8.186
  335   2HD2  ASN  42          HD21      ASN  42  -5.545 -12.571  -7.445
  336    H    GLN  43           HN       GLN  43  -2.118 -11.468  -5.451
  337    HA   GLN  43           HA       GLN  43  -0.385  -9.306  -5.148
  338   1HB   GLN  43           HB2      GLN  43  -0.247 -11.773  -6.366
  339   2HB   GLN  43           HB3      GLN  43  -0.213 -10.699  -7.751
  340   1HG   GLN  43           HG2      GLN  43   2.027 -11.100  -7.190
  341   2HG   GLN  43           HG3      GLN  43   1.675  -9.468  -6.632
  342   1HE2  GLN  43          HE22      GLN  43   1.475 -11.912  -3.441
  343   2HE2  GLN  43          HE21      GLN  43   0.331 -11.969  -4.733
  344    H    SER  44           HN       SER  44  -2.904  -9.863  -7.577
  345    HA   SER  44           HA       SER  44  -2.310  -7.748  -9.281
  346   1HB   SER  44           HB2      SER  44  -5.040  -8.850  -8.802
  347   2HB   SER  44           HB3      SER  44  -4.411  -8.143 -10.270
  348    HG   SER  44           HG       SER  44  -2.783  -9.992 -10.033
  349    H    LYS  45           HN       LYS  45  -4.531  -7.846  -6.492
  350    HA   LYS  45           HA       LYS  45  -5.535  -5.206  -6.759
  351   1HB   LYS  45           HB2      LYS  45  -5.654  -7.339  -4.766
  352   2HB   LYS  45           HB3      LYS  45  -5.506  -5.765  -4.004
  353   1HG   LYS  45           HG2      LYS  45  -7.822  -6.352  -4.190
  354   2HG   LYS  45           HG3      LYS  45  -7.483  -4.986  -5.253
  355   1HD   LYS  45           HD2      LYS  45  -7.310  -6.586  -7.152
  356   2HD   LYS  45           HD3      LYS  45  -7.758  -7.889  -6.044
  357   1HE   LYS  45           HE2      LYS  45  -9.791  -6.216  -5.564
  358   2HE   LYS  45           HE3      LYS  45  -9.419  -5.724  -7.217
  359   1HZ   LYS  45           HZ1      LYS  45  -9.616  -8.063  -7.893
  360   2HZ   LYS  45           HZ3      LYS  45 -10.058  -8.482  -6.300
  361   3HZ   LYS  45           HZ2      LYS  45 -11.060  -7.469  -7.224
  362    H    VAL  46           HN       VAL  46  -2.693  -6.516  -5.161
  363    HA   VAL  46           HA       VAL  46  -1.924  -4.074  -3.874
  364    HB   VAL  46           HB       VAL  46  -0.520  -6.709  -4.260
  365   1HG1  VAL  46          HG12      VAL  46   1.185  -4.961  -4.107
  366   2HG1  VAL  46          HG13      VAL  46   0.419  -4.348  -2.636
  367   3HG1  VAL  46          HG11      VAL  46   1.151  -5.953  -2.655
  368   1HG2  VAL  46          HG22      VAL  46  -2.174  -5.410  -2.138
  369   2HG2  VAL  46          HG23      VAL  46  -2.169  -7.081  -2.699
  370   3HG2  VAL  46          HG21      VAL  46  -0.882  -6.501  -1.644
  371    H    SER  47           HN       SER  47  -0.879  -5.744  -6.855
  372    HA   SER  47           HA       SER  47   1.152  -3.829  -7.477
  373   1HB   SER  47           HB2      SER  47   1.042  -4.890  -9.777
  374   2HB   SER  47           HB3      SER  47   1.407  -5.980  -8.449
  375    HG   SER  47           HG       SER  47  -0.270  -7.092  -8.997
  376    H    ARG  48           HN       ARG  48  -2.255  -4.205  -8.327
  377    HA   ARG  48           HA       ARG  48  -2.347  -2.139 -10.281
  378   1HB   ARG  48           HB2      ARG  48  -4.439  -3.558  -8.656
  379   2HB   ARG  48           HB3      ARG  48  -4.881  -2.186  -9.648
  380   1HG   ARG  48           HG2      ARG  48  -3.253  -4.135 -11.089
  381   2HG   ARG  48           HG3      ARG  48  -4.749  -4.822 -10.460
  382   1HD   ARG  48           HD2      ARG  48  -4.669  -3.696 -12.840
  383   2HD   ARG  48           HD3      ARG  48  -6.080  -3.537 -11.799
  384    HE   ARG  48           HE       ARG  48  -5.647  -1.288 -11.557
  385   1HH1  ARG  48          HH12      ARG  48  -2.881  -2.823 -13.064
  386   2HH1  ARG  48          HH11      ARG  48  -2.105  -1.320 -13.453
  387   1HH2  ARG  48          HH22      ARG  48  -4.621   0.690 -12.080
  388   2HH2  ARG  48          HH21      ARG  48  -3.082   0.661 -12.902
  389    H    MET  49           HN       MET  49  -3.009  -2.169  -6.787
  390    HA   MET  49           HA       MET  49  -3.747   0.576  -6.643
  391   1HB   MET  49           HB2      MET  49  -2.966  -1.469  -4.583
  392   2HB   MET  49           HB3      MET  49  -3.188   0.215  -4.137
  393   1HG   MET  49           HG2      MET  49  -5.477   0.085  -5.155
  394   2HG   MET  49           HG3      MET  49  -5.238  -1.653  -5.291
  395   1HE   MET  49           HE2      MET  49  -7.128   0.651  -3.689
  396   2HE   MET  49           HE3      MET  49  -7.834  -0.958  -3.576
  397   3HE   MET  49           HE1      MET  49  -7.506  -0.040  -2.110
  398    H    LEU  50           HN       LEU  50  -0.654  -1.115  -6.435
  399    HA   LEU  50           HA       LEU  50   0.910   1.018  -5.430
  400   1HB   LEU  50           HB2      LEU  50   1.491  -1.487  -6.952
  401   2HB   LEU  50           HB3      LEU  50   2.746  -0.260  -6.892
  402    HG   LEU  50           HG       LEU  50   1.467  -1.242  -4.378
  403   1HD1  LEU  50          HD11      LEU  50   3.631  -2.586  -5.950
  404   2HD1  LEU  50          HD12      LEU  50   3.449  -2.809  -4.209
  405   3HD1  LEU  50          HD13      LEU  50   2.152  -3.291  -5.300
  406   1HD2  LEU  50          HD23      LEU  50   3.938   0.226  -5.091
  407   2HD2  LEU  50          HD21      LEU  50   2.748   0.546  -3.825
  408   3HD2  LEU  50          HD22      LEU  50   3.905  -0.773  -3.637
  409    H    THR  51           HN       THR  51   0.377  -0.049  -8.803
  410    HA   THR  51           HA       THR  51   1.754   2.152  -9.958
  411    HB   THR  51           HB       THR  51  -0.359   0.595 -11.445
  412    HG1  THR  51           HG1      THR  51   0.729  -1.206 -11.315
  413   1HG2  THR  51          HG22      THR  51   0.939   2.328 -12.643
  414   2HG2  THR  51          HG21      THR  51   2.411   1.435 -12.273
  415   3HG2  THR  51          HG23      THR  51   1.168   0.705 -13.289
  416    H    LYS  52           HN       LYS  52  -1.608   1.638  -9.032
  417    HA   LYS  52           HA       LYS  52  -2.708   3.889 -10.390
  418   1HB   LYS  52           HB2      LYS  52  -4.113   2.029  -9.646
  419   2HB   LYS  52           HB3      LYS  52  -3.744   2.387  -7.968
  420   1HG   LYS  52           HG2      LYS  52  -4.817   4.676  -9.414
  421   2HG   LYS  52           HG3      LYS  52  -5.914   3.299  -9.401
  422   1HD   LYS  52           HD2      LYS  52  -6.439   3.605  -7.256
  423   2HD   LYS  52           HD3      LYS  52  -4.752   3.747  -6.775
  424   1HE   LYS  52           HE2      LYS  52  -6.470   5.730  -6.458
  425   2HE   LYS  52           HE3      LYS  52  -4.783   6.027  -6.841
  426   1HZ   LYS  52           HZ2      LYS  52  -5.449   6.197  -9.213
  427   2HZ   LYS  52           HZ1      LYS  52  -7.077   6.044  -8.735
  428   3HZ   LYS  52           HZ3      LYS  52  -6.159   7.387  -8.232
  429    H    PHE  53           HN       PHE  53  -1.656   3.392  -7.009
  430    HA   PHE  53           HA       PHE  53  -2.106   6.170  -6.344
  431   1HB   PHE  53           HB2      PHE  53  -0.989   3.832  -4.767
  432   2HB   PHE  53           HB3      PHE  53  -1.043   5.468  -4.121
  433    HD1  PHE  53           HD1      PHE  53  -3.540   6.566  -4.747
  434    HD2  PHE  53           HD2      PHE  53  -2.641   2.490  -3.894
  435    HE1  PHE  53           HE1      PHE  53  -5.864   6.200  -4.041
  436    HE2  PHE  53           HE2      PHE  53  -4.955   2.123  -3.181
  437    HZ   PHE  53           HZ       PHE  53  -6.574   3.984  -3.268
  438    H    GLY  54           HN       GLY  54   0.408   4.526  -7.877
  439   1HA   GLY  54           HA1      GLY  54   2.484   5.207  -8.589
  440   2HA   GLY  54           HA2      GLY  54   2.036   6.826  -8.082
  441    H    ALA  55           HN       ALA  55   2.665   3.776  -6.331
  442    HA   ALA  55           HA       ALA  55   4.063   5.170  -4.232
  443   1HB   ALA  55           HB2      ALA  55   3.397   2.298  -4.745
  444   2HB   ALA  55           HB3      ALA  55   4.470   2.757  -3.426
  445   3HB   ALA  55           HB1      ALA  55   2.814   3.360  -3.468
  446    H    VAL  56           HN       VAL  56   6.154   5.665  -4.220
  447    HA   VAL  56           HA       VAL  56   8.017   4.344  -6.084
  448    HB   VAL  56           HB       VAL  56   9.485   6.247  -5.800
  449   1HG1  VAL  56          HG11      VAL  56   6.628   6.842  -6.450
  450   2HG1  VAL  56          HG12      VAL  56   7.818   8.142  -6.456
  451   3HG1  VAL  56          HG13      VAL  56   8.027   6.748  -7.518
  452   1HG2  VAL  56          HG23      VAL  56   7.595   7.013  -3.605
  453   2HG2  VAL  56          HG21      VAL  56   9.357   6.963  -3.598
  454   3HG2  VAL  56          HG22      VAL  56   8.515   8.257  -4.451
  455    H    ARG  57           HN       ARG  57   9.947   3.401  -5.320
  456    HA   ARG  57           HA       ARG  57   9.925   2.711  -2.478
  457   1HB   ARG  57           HB2      ARG  57  11.552   1.640  -4.778
  458   2HB   ARG  57           HB3      ARG  57  11.800   1.151  -3.111
  459   1HG   ARG  57           HG2      ARG  57   9.465   0.355  -3.021
  460   2HG   ARG  57           HG3      ARG  57   9.281   0.782  -4.721
  461   1HD   ARG  57           HD2      ARG  57   9.724  -1.603  -4.460
  462   2HD   ARG  57           HD3      ARG  57  11.027  -0.794  -5.329
  463    HE   ARG  57           HE       ARG  57  11.568  -0.967  -2.529
  464   1HH1  ARG  57          HH12      ARG  57  11.580  -2.844  -5.479
  465   2HH1  ARG  57          HH11      ARG  57  12.812  -3.947  -4.925
  466   1HH2  ARG  57          HH22      ARG  57  13.170  -2.396  -1.791
  467   2HH2  ARG  57          HH21      ARG  57  13.721  -3.692  -2.816
  468    H    THR  58           HN       THR  58  11.521   3.220  -1.043
  469    HA   THR  58           HA       THR  58  13.898   4.671  -1.855
  470    HB   THR  58           HB       THR  58  12.487   6.553  -1.932
  471    HG1  THR  58           HG1      THR  58  13.073   6.879   0.771
  472   1HG2  THR  58          HG23      THR  58  11.089   5.457   0.481
  473   2HG2  THR  58          HG22      THR  58  10.934   7.143  -0.015
  474   3HG2  THR  58          HG21      THR  58  10.422   5.854  -1.102
  475    H    ARG  59           HN       ARG  59  15.362   5.085  -0.056
  476    HA   ARG  59           HA       ARG  59  15.323   2.952   1.855
  477   1HB   ARG  59           HB2      ARG  59  17.236   5.062   0.999
  478   2HB   ARG  59           HB3      ARG  59  17.428   4.442   2.626
  479   1HG   ARG  59           HG2      ARG  59  17.265   2.107   1.363
  480   2HG   ARG  59           HG3      ARG  59  17.861   3.091   0.023
  481   1HD   ARG  59           HD2      ARG  59  19.149   2.610   2.703
  482   2HD   ARG  59           HD3      ARG  59  19.770   2.177   1.117
  483    HE   ARG  59           HE       ARG  59  20.005   4.715   2.445
  484   1HH1  ARG  59          HH12      ARG  59  19.917   3.172  -0.711
  485   2HH1  ARG  59          HH11      ARG  59  20.795   4.465  -1.483
  486   1HH2  ARG  59          HH22      ARG  59  21.143   6.370   1.424
  487   2HH2  ARG  59          HH21      ARG  59  21.490   6.272  -0.272
  488    H    ASN  60           HN       ASN  60  14.545   3.005   3.878
  489    HA   ASN  60           HA       ASN  60  13.490   5.501   4.943
  490   1HB   ASN  60           HB2      ASN  60  12.249   4.188   6.489
  491   2HB   ASN  60           HB3      ASN  60  12.157   3.371   4.939
  492   1HD2  ASN  60          HD22      ASN  60  12.711   0.836   7.557
  493   2HD2  ASN  60          HD21      ASN  60  11.514   2.032   7.200
  494    H    ALA  61           HN       ALA  61  13.639   4.975   7.703
  495    HA   ALA  61           HA       ALA  61  16.063   6.202   8.393
  496   1HB   ALA  61           HB3      ALA  61  13.918   6.201   9.720
  497   2HB   ALA  61           HB1      ALA  61  14.377   4.602  10.307
  498   3HB   ALA  61           HB2      ALA  61  15.399   5.998  10.652
  499    H    LYS  62           HN       LYS  62  15.214   2.802   8.213
  500    HA   LYS  62           HA       LYS  62  17.831   2.029   9.312
  501   1HB   LYS  62           HB2      LYS  62  15.383   0.363   8.691
  502   2HB   LYS  62           HB3      LYS  62  16.912  -0.275   9.285
  503   1HG   LYS  62           HG2      LYS  62  16.430   1.583  11.177
  504   2HG   LYS  62           HG3      LYS  62  14.774   1.185  10.716
  505   1HD   LYS  62           HD2      LYS  62  16.877  -0.822  11.555
  506   2HD   LYS  62           HD3      LYS  62  15.606  -0.193  12.598
  507   1HE   LYS  62           HE2      LYS  62  15.209  -1.812  10.082
  508   2HE   LYS  62           HE3      LYS  62  15.005  -2.387  11.736
  509   1HZ   LYS  62           HZ3      LYS  62  13.355  -0.317  11.769
  510   2HZ   LYS  62           HZ2      LYS  62  13.251  -0.717  10.114
  511   3HZ   LYS  62           HZ1      LYS  62  12.868  -1.878  11.299
  512    H    MET  63           HN       MET  63  17.571   3.227   6.681
  513    HA   MET  63           HA       MET  63  18.154   2.977   4.516
  514   1HB   MET  63           HB2      MET  63  20.213   1.452   4.191
  515   2HB   MET  63           HB3      MET  63  20.355   2.847   5.246
  516   1HG   MET  63           HG2      MET  63  20.108   1.383   7.201
  517   2HG   MET  63           HG3      MET  63  19.947  -0.007   6.131
  518   1HE   MET  63           HE2      MET  63  21.932   3.065   6.856
  519   2HE   MET  63           HE3      MET  63  23.588   2.511   7.074
  520   3HE   MET  63           HE1      MET  63  22.987   2.891   5.455
  521    H    GLU  64           HN       GLU  64  15.884   1.329   5.079
  522    HA   GLU  64           HA       GLU  64  16.370  -1.050   3.410
  523   1HB   GLU  64           HB2      GLU  64  13.999  -0.299   5.148
  524   2HB   GLU  64           HB3      GLU  64  14.089  -1.751   4.167
  525   1HG   GLU  64           HG2      GLU  64  16.262  -2.222   5.517
  526   2HG   GLU  64           HG3      GLU  64  15.598  -1.042   6.647
  527    H    MET  65           HN       MET  65  15.786  -0.998   1.309
  528    HA   MET  65           HA       MET  65  14.496   1.300   0.161
  529   1HB   MET  65           HB2      MET  65  15.385  -1.362  -0.970
  530   2HB   MET  65           HB3      MET  65  14.570  -0.153  -1.950
  531   1HG   MET  65           HG2      MET  65  16.399   1.451  -1.308
  532   2HG   MET  65           HG3      MET  65  17.247   0.075  -0.604
  533   1HE   MET  65           HE2      MET  65  15.171   0.822  -3.867
  534   2HE   MET  65           HE3      MET  65  16.434   2.054  -3.825
  535   3HE   MET  65           HE1      MET  65  16.450   0.812  -5.076
  536    H    VAL  66           HN       VAL  66  12.463   1.308   1.270
  537    HA   VAL  66           HA       VAL  66  10.616  -0.869   0.574
  538    HB   VAL  66           HB       VAL  66   9.238  -0.075   2.482
  539   1HG1  VAL  66          HG12      VAL  66  10.867  -1.886   2.763
  540   2HG1  VAL  66          HG13      VAL  66  12.115  -0.707   3.160
  541   3HG1  VAL  66          HG11      VAL  66  10.735  -0.915   4.231
  542   1HG2  VAL  66          HG21      VAL  66  11.494   1.900   2.772
  543   2HG2  VAL  66          HG22      VAL  66   9.761   2.211   2.719
  544   3HG2  VAL  66          HG23      VAL  66  10.480   1.437   4.133
  545    H    TYR  67           HN       TYR  67   8.432  -0.402   0.114
  546    HA   TYR  67           HA       TYR  67   8.005   1.637  -1.833
  547   1HB   TYR  67           HB2      TYR  67   6.325  -0.478  -0.523
  548   2HB   TYR  67           HB3      TYR  67   5.511   0.827  -1.361
  549    HD1  TYR  67           HD2      TYR  67   7.075   1.252  -3.769
  550    HD2  TYR  67           HD1      TYR  67   6.015  -2.377  -1.806
  551    HE1  TYR  67           HE2      TYR  67   7.216   0.058  -5.907
  552    HE2  TYR  67           HE1      TYR  67   6.143  -3.585  -3.945
  553    HH   TYR  67           HH       TYR  67   7.370  -2.038  -6.857
  554    H    CYS  68           HN       CYS  68   7.251   3.648  -1.552
  555    HA   CYS  68           HA       CYS  68   5.706   4.330   0.842
  556   1HB   CYS  68           HB2      CYS  68   8.100   4.936   1.273
  557   2HB   CYS  68           HB3      CYS  68   8.033   6.027  -0.102
  558    HG   CYS  68           HG       CYS  68   6.689   6.498   2.642
  559    H    LEU  69           HN       LEU  69   4.760   6.565   0.613
  560    HA   LEU  69           HA       LEU  69   3.741   6.807  -2.126
  561   1HB   LEU  69           HB2      LEU  69   2.361   6.557   0.180
  562   2HB   LEU  69           HB3      LEU  69   2.406   8.304   0.039
  563    HG   LEU  69           HG       LEU  69   1.440   8.078  -2.256
  564   1HD1  LEU  69          HD12      LEU  69   2.088   5.360  -1.872
  565   2HD1  LEU  69          HD13      LEU  69   0.327   5.458  -1.924
  566   3HD1  LEU  69          HD11      LEU  69   1.284   6.100  -3.258
  567   1HD2  LEU  69          HD23      LEU  69  -0.143   6.932   0.044
  568   2HD2  LEU  69          HD21      LEU  69   0.003   8.635  -0.401
  569   3HD2  LEU  69          HD22      LEU  69  -0.830   7.515  -1.475
  570    HA   PRO  70           HA       PRO  70   5.986  10.730  -2.525
  571   1HB   PRO  70           HB2      PRO  70   4.396  11.001  -4.997
  572   2HB   PRO  70           HB3      PRO  70   6.145  10.939  -4.786
  573   1HG   PRO  70           HG2      PRO  70   4.813   8.917  -5.874
  574   2HG   PRO  70           HG3      PRO  70   6.177   8.620  -4.780
  575   1HD   PRO  70           HD2      PRO  70   3.224   8.541  -4.181
  576   2HD   PRO  70           HD3      PRO  70   4.490   7.357  -3.782
  577    H    ALA  71           HN       ALA  71   4.407  12.599  -4.195
  578    HA   ALA  71           HA       ALA  71   3.150  14.127  -2.194
  579   1HB   ALA  71           HB1      ALA  71   4.074  15.002  -4.349
  580   2HB   ALA  71           HB2      ALA  71   2.642  14.361  -5.155
  581   3HB   ALA  71           HB3      ALA  71   2.477  15.619  -3.930
  582    H    GLU  72           HN       GLU  72   0.784  14.927  -2.470
  583    HA   GLU  72           HA       GLU  72  -0.955  12.894  -1.802
  584   1HB   GLU  72           HB2      GLU  72  -1.753  15.590  -2.925
  585   2HB   GLU  72           HB3      GLU  72  -2.690  14.562  -1.857
  586   1HG   GLU  72           HG2      GLU  72  -1.901  15.865  -0.226
  587   2HG   GLU  72           HG3      GLU  72  -0.441  14.889  -0.379
  588    H    LEU  73           HN       LEU  73  -1.607  11.270  -3.039
  589    HA   LEU  73           HA       LEU  73  -2.889  11.807  -5.607
  590   1HB   LEU  73           HB2      LEU  73  -0.386  11.106  -5.868
  591   2HB   LEU  73           HB3      LEU  73  -0.950   9.512  -5.418
  592    HG   LEU  73           HG       LEU  73  -2.600   9.706  -7.362
  593   1HD1  LEU  73          HD13      LEU  73  -2.287  12.191  -7.601
  594   2HD1  LEU  73          HD11      LEU  73  -0.704  11.851  -8.297
  595   3HD1  LEU  73          HD12      LEU  73  -2.164  11.265  -9.093
  596   1HD2  LEU  73          HD23      LEU  73   0.242   9.115  -7.355
  597   2HD2  LEU  73          HD21      LEU  73  -1.102   8.228  -8.074
  598   3HD2  LEU  73          HD22      LEU  73  -0.355   9.559  -8.953
  599    H    GLY  74           HN       GLY  74  -4.900  11.166  -5.019
  600   1HA   GLY  74           HA1      GLY  74  -5.215   8.405  -3.988
  601   2HA   GLY  74           HA2      GLY  74  -6.080   9.742  -3.252
  602    H    VAL  75           HN       VAL  75  -7.697  10.838  -4.508
  603    HA   VAL  75           HA       VAL  75  -9.111   9.032  -6.304
  604    HB   VAL  75           HB       VAL  75 -10.081  11.773  -5.519
  605   1HG1  VAL  75          HG23      VAL  75 -11.337  10.513  -7.228
  606   2HG1  VAL  75          HG21      VAL  75 -11.548   9.191  -6.078
  607   3HG1  VAL  75          HG22      VAL  75 -12.275  10.764  -5.758
  608   1HG2  VAL  75          HG12      VAL  75 -10.053   9.286  -3.834
  609   2HG2  VAL  75          HG13      VAL  75  -9.559  10.920  -3.396
  610   3HG2  VAL  75          HG11      VAL  75 -11.267  10.543  -3.614
  611    HA   PRO  76           HA       PRO  76  -7.483  11.186  -9.889
  612   1HB   PRO  76           HB2      PRO  76  -8.916   9.916 -11.801
  613   2HB   PRO  76           HB3      PRO  76  -7.605   9.128 -10.918
  614   1HG   PRO  76           HG2      PRO  76 -10.565   8.949 -10.472
  615   2HG   PRO  76           HG3      PRO  76  -9.357   7.650 -10.490
  616   1HD   PRO  76           HD2      PRO  76 -10.320   8.747  -8.191
  617   2HD   PRO  76           HD3      PRO  76  -8.683   8.071  -8.330
  618    H    THR  77           HN       THR  77  -8.663  13.115  -8.888
  619    HA   THR  77           HA       THR  77 -10.229  14.387 -10.896
  620    HB   THR  77           HB       THR  77 -12.076  13.108  -9.944
  621    HG1  THR  77           HG1      THR  77 -12.659  15.201 -10.452
  622   1HG2  THR  77          HG21      THR  77 -11.036  12.701  -7.673
  623   2HG2  THR  77          HG23      THR  77 -11.611  14.305  -7.227
  624   3HG2  THR  77          HG22      THR  77 -12.760  13.055  -7.699
  625    H    THR  78           HN       THR  78  -9.570  16.440 -10.835
  626    HA   THR  78           HA       THR  78  -9.404  17.980  -8.448
  627    HB   THR  78           HB       THR  78  -7.304  16.671  -8.212
  628    HG1  THR  78           HG1      THR  78  -7.497  18.913  -7.512
  629   1HG2  THR  78          HG22      THR  78  -6.891  16.580 -10.754
  630   2HG2  THR  78          HG21      THR  78  -6.115  18.142 -10.515
  631   3HG2  THR  78          HG23      THR  78  -5.520  16.722  -9.657
   
  No H/Q in entry =         631
  Start of MODEL    3
    1   1H    MET   1           HT1      MET   1 -26.366  -1.292   9.256
    2   2H    MET   1           HT3      MET   1 -27.503  -2.322   8.480
    3   3H    MET   1           HT2      MET   1 -27.506  -2.173  10.194
    4    HA   MET   1           HA       MET   1 -26.518  -4.192   9.685
    5   1HB   MET   1           HB2      MET   1 -24.827  -2.544   7.780
    6   2HB   MET   1           HB3      MET   1 -24.482  -4.216   8.183
    7   1HG   MET   1           HG2      MET   1 -25.824  -4.878   6.559
    8   2HG   MET   1           HG3      MET   1 -27.185  -4.128   7.385
    9   1HE   MET   1           HE1      MET   1 -24.049  -3.344   5.589
   10   2HE   MET   1           HE2      MET   1 -24.556  -2.604   4.076
   11   3HE   MET   1           HE3      MET   1 -24.276  -1.600   5.500
   12    H    ARG   2           HN       ARG   2 -24.166  -4.866  10.308
   13    HA   ARG   2           HA       ARG   2 -23.442  -3.409  12.683
   14   1HB   ARG   2           HB2      ARG   2 -22.331  -5.882  11.354
   15   2HB   ARG   2           HB3      ARG   2 -21.615  -5.189  12.804
   16   1HG   ARG   2           HG2      ARG   2 -23.863  -5.439  13.907
   17   2HG   ARG   2           HG3      ARG   2 -24.369  -6.353  12.483
   18   1HD   ARG   2           HD2      ARG   2 -23.648  -7.880  14.220
   19   2HD   ARG   2           HD3      ARG   2 -22.526  -7.938  12.860
   20    HE   ARG   2           HE       ARG   2 -21.817  -6.146  15.050
   21   1HH1  ARG   2          HH12      ARG   2 -21.369  -9.303  13.598
   22   2HH1  ARG   2          HH11      ARG   2 -19.871  -9.612  14.436
   23   1HH2  ARG   2          HH22      ARG   2 -19.888  -6.526  16.128
   24   2HH2  ARG   2          HH21      ARG   2 -19.018  -8.021  15.882
   25    H    SER   3           HN       SER   3 -20.907  -4.690  10.731
   26    HA   SER   3           HA       SER   3 -19.547  -2.119  10.656
   27   1HB   SER   3           HB2      SER   3 -18.504  -4.721   9.514
   28   2HB   SER   3           HB3      SER   3 -17.583  -3.319  10.063
   29    HG   SER   3           HG       SER   3 -17.403  -4.606  11.768
   30    H    SER   4           HN       SER   4 -20.167  -0.779   9.039
   31    HA   SER   4           HA       SER   4 -21.336  -1.636   6.590
   32   1HB   SER   4           HB2      SER   4 -20.117   1.054   7.292
   33   2HB   SER   4           HB3      SER   4 -21.191   0.730   5.931
   34    HG   SER   4           HG       SER   4 -22.311   1.606   7.739
   35    H    ALA   5           HN       ALA   5 -20.216  -2.804   5.200
   36    HA   ALA   5           HA       ALA   5 -17.367  -2.659   4.980
   37   1HB   ALA   5           HB1      ALA   5 -18.531  -4.787   4.893
   38   2HB   ALA   5           HB2      ALA   5 -19.369  -4.293   3.421
   39   3HB   ALA   5           HB3      ALA   5 -17.619  -4.519   3.408
   40    H    LYS   6           HN       LYS   6 -17.344  -0.338   4.213
   41    HA   LYS   6           HA       LYS   6 -17.799  -0.033   1.337
   42   1HB   LYS   6           HB2      LYS   6 -16.684   2.293   1.929
   43   2HB   LYS   6           HB3      LYS   6 -18.378   1.980   2.247
   44   1HG   LYS   6           HG2      LYS   6 -18.060   1.763   4.537
   45   2HG   LYS   6           HG3      LYS   6 -16.321   1.521   4.371
   46   1HD   LYS   6           HD2      LYS   6 -15.937   3.710   4.552
   47   2HD   LYS   6           HD3      LYS   6 -17.059   4.061   3.237
   48   1HE   LYS   6           HE2      LYS   6 -18.065   3.468   6.005
   49   2HE   LYS   6           HE3      LYS   6 -17.500   5.079   5.581
   50   1HZ   LYS   6           HZ3      LYS   6 -19.572   3.676   3.983
   51   2HZ   LYS   6           HZ2      LYS   6 -19.961   4.635   5.336
   52   3HZ   LYS   6           HZ1      LYS   6 -19.181   5.338   3.995
   53    H    GLN   7           HN       GLN   7 -16.091  -0.196  -0.118
   54    HA   GLN   7           HA       GLN   7 -13.676  -1.335   0.885
   55   1HB   GLN   7           HB2      GLN   7 -14.928  -1.672  -1.431
   56   2HB   GLN   7           HB3      GLN   7 -13.775  -0.446  -1.947
   57   1HG   GLN   7           HG2      GLN   7 -12.655  -2.433  -2.374
   58   2HG   GLN   7           HG3      GLN   7 -12.009  -1.918  -0.810
   59   1HE2  GLN   7          HE22      GLN   7 -12.616  -5.433  -0.284
   60   2HE2  GLN   7          HE21      GLN   7 -11.491  -4.378  -1.061
   61    H    GLU   8           HN       GLU   8 -14.376   1.637   1.352
   62    HA   GLU   8           HA       GLU   8 -12.044   3.019   0.315
   63   1HB   GLU   8           HB2      GLU   8 -13.878   4.020   2.496
   64   2HB   GLU   8           HB3      GLU   8 -12.906   4.958   1.373
   65   1HG   GLU   8           HG2      GLU   8 -14.768   3.361  -0.118
   66   2HG   GLU   8           HG3      GLU   8 -15.632   4.207   1.158
   67    H    GLU   9           HN       GLU   9 -12.435   0.729   2.610
   68    HA   GLU   9           HA       GLU   9 -10.773   1.872   4.724
   69   1HB   GLU   9           HB2      GLU   9 -12.053  -0.850   4.380
   70   2HB   GLU   9           HB3      GLU   9 -11.017  -0.434   5.737
   71   1HG   GLU   9           HG2      GLU   9 -12.576   1.298   6.426
   72   2HG   GLU   9           HG3      GLU   9 -13.604   0.952   5.036
   73    H    LEU  10           HN       LEU  10 -10.648  -0.694   2.289
   74    HA   LEU  10           HA       LEU  10  -7.996  -1.551   2.707
   75   1HB   LEU  10           HB2      LEU  10  -9.492  -2.889   1.412
   76   2HB   LEU  10           HB3      LEU  10  -9.811  -1.582   0.288
   77    HG   LEU  10           HG       LEU  10  -7.398  -1.777  -0.463
   78   1HD1  LEU  10          HD11      LEU  10  -7.535  -4.153   1.362
   79   2HD1  LEU  10          HD12      LEU  10  -6.405  -4.067   0.013
   80   3HD1  LEU  10          HD13      LEU  10  -6.326  -2.871   1.305
   81   1HD2  LEU  10          HD23      LEU  10  -9.238  -2.699  -1.766
   82   2HD2  LEU  10          HD21      LEU  10  -7.811  -3.729  -1.859
   83   3HD2  LEU  10          HD22      LEU  10  -9.166  -4.193  -0.830
   84    H    VAL  11           HN       VAL  11  -9.383   1.109   0.886
   85    HA   VAL  11           HA       VAL  11  -6.996   1.907  -0.481
   86    HB   VAL  11           HB       VAL  11  -9.530   3.458   0.137
   87   1HG1  VAL  11          HG12      VAL  11  -7.031   4.274  -1.150
   88   2HG1  VAL  11          HG13      VAL  11  -8.477   4.596  -2.111
   89   3HG1  VAL  11          HG11      VAL  11  -8.339   5.250  -0.478
   90   1HG2  VAL  11          HG22      VAL  11  -9.591   1.341  -1.337
   91   2HG2  VAL  11          HG23      VAL  11 -10.348   2.810  -1.943
   92   3HG2  VAL  11          HG21      VAL  11  -8.757   2.331  -2.530
   93    H    LYS  12           HN       LYS  12  -8.667   3.210   2.425
   94    HA   LYS  12           HA       LYS  12  -6.731   5.187   3.021
   95   1HB   LYS  12           HB2      LYS  12  -8.883   5.459   3.948
   96   2HB   LYS  12           HB3      LYS  12  -8.892   3.839   4.626
   97   1HG   LYS  12           HG2      LYS  12  -6.820   5.734   5.597
   98   2HG   LYS  12           HG3      LYS  12  -8.491   5.995   6.105
   99   1HD   LYS  12           HD2      LYS  12  -8.621   3.962   7.205
  100   2HD   LYS  12           HD3      LYS  12  -7.296   3.267   6.277
  101   1HE   LYS  12           HE2      LYS  12  -7.068   5.372   8.435
  102   2HE   LYS  12           HE3      LYS  12  -6.600   3.677   8.572
  103   1HZ   LYS  12           HZ2      LYS  12  -5.233   4.566   6.380
  104   2HZ   LYS  12           HZ1      LYS  12  -5.151   5.883   7.451
  105   3HZ   LYS  12           HZ3      LYS  12  -4.585   4.348   7.938
  106    H    ALA  13           HN       ALA  13  -6.916   1.780   3.729
  107    HA   ALA  13           HA       ALA  13  -4.799   1.763   5.683
  108   1HB   ALA  13           HB2      ALA  13  -6.515   0.018   5.694
  109   2HB   ALA  13           HB3      ALA  13  -5.987  -0.523   4.099
  110   3HB   ALA  13           HB1      ALA  13  -4.905  -0.670   5.485
  111    H    PHE  14           HN       PHE  14  -5.095   0.830   2.245
  112    HA   PHE  14           HA       PHE  14  -2.578  -0.058   1.675
  113   1HB   PHE  14           HB2      PHE  14  -4.579   0.095   0.105
  114   2HB   PHE  14           HB3      PHE  14  -4.096   1.743  -0.235
  115    HD1  PHE  14           HD1      PHE  14  -3.151  -1.805  -0.487
  116    HD2  PHE  14           HD2      PHE  14  -2.232   2.177  -1.676
  117    HE1  PHE  14           HE1      PHE  14  -1.600  -2.671  -2.176
  118    HE2  PHE  14           HE2      PHE  14  -0.676   1.303  -3.376
  119    HZ   PHE  14           HZ       PHE  14  -0.380  -1.122  -3.617
  120    H    LYS  15           HN       LYS  15  -3.597   3.368   1.486
  121    HA   LYS  15           HA       LYS  15  -1.089   4.393   0.765
  122   1HB   LYS  15           HB2      LYS  15  -3.558   5.604   1.902
  123   2HB   LYS  15           HB3      LYS  15  -2.068   6.540   2.007
  124   1HG   LYS  15           HG2      LYS  15  -2.246   7.150  -0.112
  125   2HG   LYS  15           HG3      LYS  15  -2.275   5.466  -0.627
  126   1HD   LYS  15           HD2      LYS  15  -4.246   6.544  -1.440
  127   2HD   LYS  15           HD3      LYS  15  -4.679   5.377  -0.198
  128   1HE   LYS  15           HE2      LYS  15  -5.655   7.910  -0.293
  129   2HE   LYS  15           HE3      LYS  15  -5.502   6.960   1.186
  130   1HZ   LYS  15           HZ1      LYS  15  -3.167   8.512   0.412
  131   2HZ   LYS  15           HZ3      LYS  15  -4.525   9.403   0.907
  132   3HZ   LYS  15           HZ2      LYS  15  -3.834   8.245   1.950
  133    H    ALA  16           HN       ALA  16  -2.471   3.750   3.958
  134    HA   ALA  16           HA       ALA  16  -0.442   5.044   5.471
  135   1HB   ALA  16           HB3      ALA  16  -2.752   4.461   6.281
  136   2HB   ALA  16           HB1      ALA  16  -2.198   2.795   6.440
  137   3HB   ALA  16           HB2      ALA  16  -1.439   4.072   7.390
  138    H    LEU  17           HN       LEU  17  -0.910   1.694   4.410
  139    HA   LEU  17           HA       LEU  17   1.213   0.487   5.785
  140   1HB   LEU  17           HB2      LEU  17   0.039  -0.190   3.077
  141   2HB   LEU  17           HB3      LEU  17   1.156  -1.219   3.946
  142    HG   LEU  17           HG       LEU  17  -1.725  -0.677   4.470
  143   1HD1  LEU  17          HD12      LEU  17   0.057  -3.100   4.478
  144   2HD1  LEU  17          HD13      LEU  17  -1.628  -3.130   4.995
  145   3HD1  LEU  17          HD11      LEU  17  -1.224  -2.693   3.335
  146   1HD2  LEU  17          HD23      LEU  17   0.270  -1.372   6.610
  147   2HD2  LEU  17          HD21      LEU  17  -0.852  -0.011   6.578
  148   3HD2  LEU  17          HD22      LEU  17  -1.463  -1.655   6.752
  149    H    LEU  18           HN       LEU  18   1.155   1.966   2.552
  150    HA   LEU  18           HA       LEU  18   3.904   1.523   1.963
  151   1HB   LEU  18           HB2      LEU  18   2.043   3.640   0.880
  152   2HB   LEU  18           HB3      LEU  18   3.583   3.182   0.183
  153    HG   LEU  18           HG       LEU  18   1.256   1.282   0.444
  154   1HD1  LEU  18          HD13      LEU  18   0.660   3.210  -0.943
  155   2HD1  LEU  18          HD11      LEU  18   2.096   2.934  -1.928
  156   3HD1  LEU  18          HD12      LEU  18   0.812   1.733  -1.894
  157   1HD2  LEU  18          HD22      LEU  18   3.512   0.267   0.229
  158   2HD2  LEU  18          HD23      LEU  18   2.457  -0.063  -1.148
  159   3HD2  LEU  18          HD21      LEU  18   3.720   1.161  -1.284
  160    H    LYS  19           HN       LYS  19   2.184   4.498   2.942
  161    HA   LYS  19           HA       LYS  19   4.374   6.179   3.094
  162   1HB   LYS  19           HB2      LYS  19   1.775   6.275   4.626
  163   2HB   LYS  19           HB3      LYS  19   2.942   7.593   4.589
  164   1HG   LYS  19           HG2      LYS  19   2.635   7.934   2.258
  165   2HG   LYS  19           HG3      LYS  19   1.724   6.426   2.091
  166   1HD   LYS  19           HD2      LYS  19   0.043   8.024   2.094
  167   2HD   LYS  19           HD3      LYS  19   0.072   7.493   3.774
  168   1HE   LYS  19           HE2      LYS  19   0.156   9.686   4.248
  169   2HE   LYS  19           HE3      LYS  19   1.865   9.542   3.844
  170   1HZ   LYS  19           HZ1      LYS  19  -0.072  10.129   1.705
  171   2HZ   LYS  19           HZ3      LYS  19   0.422  11.374   2.752
  172   3HZ   LYS  19           HZ2      LYS  19   1.577  10.541   1.822
  173    H    GLU  20           HN       GLU  20   3.464   3.720   5.377
  174    HA   GLU  20           HA       GLU  20   4.902   4.757   7.634
  175   1HB   GLU  20           HB2      GLU  20   3.620   2.144   6.936
  176   2HB   GLU  20           HB3      GLU  20   4.777   2.172   8.257
  177   1HG   GLU  20           HG2      GLU  20   2.535   4.148   8.188
  178   2HG   GLU  20           HG3      GLU  20   2.249   2.498   8.735
  179    H    GLU  21           HN       GLU  21   5.833   3.094   4.752
  180    HA   GLU  21           HA       GLU  21   7.796   2.319   3.931
  181   1HB   GLU  21           HB2      GLU  21   9.095   3.906   6.159
  182   2HB   GLU  21           HB3      GLU  21   9.850   3.372   4.666
  183   1HG   GLU  21           HG2      GLU  21   8.908   4.996   3.411
  184   2HG   GLU  21           HG3      GLU  21   7.442   5.067   4.383
  185    H    LYS  22           HN       LYS  22   6.779   0.317   4.969
  186    HA   LYS  22           HA       LYS  22   8.727  -0.969   6.786
  187   1HB   LYS  22           HB2      LYS  22   6.772  -0.513   8.092
  188   2HB   LYS  22           HB3      LYS  22   5.703  -1.056   6.812
  189   1HG   LYS  22           HG2      LYS  22   6.393  -3.352   7.157
  190   2HG   LYS  22           HG3      LYS  22   7.535  -2.841   8.401
  191   1HD   LYS  22           HD2      LYS  22   5.328  -1.738   9.414
  192   2HD   LYS  22           HD3      LYS  22   4.564  -3.022   8.476
  193   1HE   LYS  22           HE2      LYS  22   4.902  -3.872  10.654
  194   2HE   LYS  22           HE3      LYS  22   6.089  -4.650   9.611
  195   1HZ   LYS  22           HZ3      LYS  22   6.974  -2.200  10.913
  196   2HZ   LYS  22           HZ2      LYS  22   6.668  -3.512  11.952
  197   3HZ   LYS  22           HZ1      LYS  22   7.798  -3.675  10.687
  198    H    PHE  23           HN       PHE  23   6.469  -1.319   4.117
  199    HA   PHE  23           HA       PHE  23   7.195  -4.115   3.696
  200   1HB   PHE  23           HB2      PHE  23   5.203  -2.393   2.213
  201   2HB   PHE  23           HB3      PHE  23   5.336  -4.155   2.148
  202    HD1  PHE  23           HD2      PHE  23   5.238  -5.354   4.481
  203    HD2  PHE  23           HD1      PHE  23   3.696  -1.453   3.752
  204    HE1  PHE  23           HE2      PHE  23   3.823  -5.544   6.478
  205    HE2  PHE  23           HE1      PHE  23   2.277  -1.643   5.753
  206    HZ   PHE  23           HZ       PHE  23   2.331  -3.690   7.113
  207    H    SER  24           HN       SER  24   8.561  -4.785   2.213
  208    HA   SER  24           HA       SER  24   9.792  -2.845   0.426
  209   1HB   SER  24           HB2      SER  24  11.054  -5.457   0.389
  210   2HB   SER  24           HB3      SER  24  11.715  -3.906   0.874
  211    HG   SER  24           HG       SER  24  10.169  -5.669   2.492
  212    H    SER  25           HN       SER  25   7.444  -5.260   0.092
  213    HA   SER  25           HA       SER  25   7.717  -5.136  -2.808
  214   1HB   SER  25           HB2      SER  25   7.392  -7.711  -2.892
  215   2HB   SER  25           HB3      SER  25   9.000  -7.089  -2.532
  216    HG   SER  25           HG       SER  25   8.457  -7.399  -0.266
  217    H    GLN  26           HN       GLN  26   5.865  -6.314  -3.891
  218    HA   GLN  26           HA       GLN  26   3.384  -5.260  -3.042
  219   1HB   GLN  26           HB2      GLN  26   3.469  -7.656  -4.837
  220   2HB   GLN  26           HB3      GLN  26   2.502  -6.221  -4.941
  221   1HG   GLN  26           HG2      GLN  26   4.464  -4.938  -5.669
  222   2HG   GLN  26           HG3      GLN  26   5.415  -6.423  -5.640
  223   1HE2  GLN  26          HE22      GLN  26   3.917  -5.585  -9.054
  224   2HE2  GLN  26          HE21      GLN  26   4.664  -4.577  -7.862
  225    H    GLY  27           HN       GLY  27   4.328  -8.690  -3.268
  226   1HA   GLY  27           HA1      GLY  27   2.269  -9.874  -1.873
  227   2HA   GLY  27           HA2      GLY  27   3.897 -10.513  -1.921
  228    H    GLU  28           HN       GLU  28   4.916  -8.073  -0.476
  229    HA   GLU  28           HA       GLU  28   4.761  -9.027   2.185
  230   1HB   GLU  28           HB2      GLU  28   6.431  -7.387   0.780
  231   2HB   GLU  28           HB3      GLU  28   5.553  -6.210   1.720
  232   1HG   GLU  28           HG2      GLU  28   6.316  -7.113   3.759
  233   2HG   GLU  28           HG3      GLU  28   6.870  -8.593   2.983
  234    H    ILE  29           HN       ILE  29   3.320  -6.201   0.540
  235    HA   ILE  29           HA       ILE  29   1.779  -5.466   2.863
  236    HB   ILE  29           HB       ILE  29   1.934  -3.483   1.955
  237   1HG1  ILE  29          HG12      ILE  29   0.127  -4.432  -0.271
  238   2HG1  ILE  29          HG13      ILE  29  -0.392  -3.778   1.285
  239   1HG2  ILE  29          HG23      ILE  29   3.779  -4.244   0.563
  240   2HG2  ILE  29          HG21      ILE  29   2.644  -4.687  -0.710
  241   3HG2  ILE  29          HG22      ILE  29   2.834  -3.001  -0.248
  242   1HD1  ILE  29          HD12      ILE  29   1.280  -1.818   0.355
  243   2HD1  ILE  29          HD13      ILE  29   0.504  -2.403  -1.120
  244   3HD1  ILE  29          HD11      ILE  29  -0.479  -1.822   0.226
  245    H    VAL  30           HN       VAL  30   1.323  -7.624   0.245
  246    HA   VAL  30           HA       VAL  30  -1.528  -7.703   0.130
  247    HB   VAL  30           HB       VAL  30   0.506  -9.883  -0.441
  248   1HG1  VAL  30          HG11      VAL  30  -2.463  -9.880  -0.578
  249   2HG1  VAL  30          HG12      VAL  30  -1.560 -10.747  -1.818
  250   3HG1  VAL  30          HG13      VAL  30  -1.352 -11.170  -0.120
  251   1HG2  VAL  30          HG21      VAL  30   0.376  -7.749  -1.897
  252   2HG2  VAL  30          HG22      VAL  30   0.394  -9.319  -2.685
  253   3HG2  VAL  30          HG23      VAL  30  -1.122  -8.449  -2.497
  254    H    ALA  31           HN       ALA  31   0.873  -9.678   1.875
  255    HA   ALA  31           HA       ALA  31  -0.931 -11.172   3.453
  256   1HB   ALA  31           HB3      ALA  31   1.973 -10.466   3.866
  257   2HB   ALA  31           HB1      ALA  31   1.075 -11.542   4.938
  258   3HB   ALA  31           HB2      ALA  31   1.296 -11.971   3.240
  259    H    ALA  32           HN       ALA  32   0.706  -8.069   4.001
  260    HA   ALA  32           HA       ALA  32   0.046  -7.604   6.655
  261   1HB   ALA  32           HB1      ALA  32   1.560  -6.218   5.198
  262   2HB   ALA  32           HB2      ALA  32   0.116  -5.460   4.535
  263   3HB   ALA  32           HB3      ALA  32   0.484  -5.300   6.250
  264    H    LEU  33           HN       LEU  33  -1.857  -6.644   3.764
  265    HA   LEU  33           HA       LEU  33  -3.992  -5.517   5.249
  266   1HB   LEU  33           HB2      LEU  33  -4.034  -6.569   2.422
  267   2HB   LEU  33           HB3      LEU  33  -5.266  -5.549   3.157
  268    HG   LEU  33           HG       LEU  33  -2.437  -4.568   3.068
  269   1HD1  LEU  33          HD13      LEU  33  -3.075  -5.429   0.782
  270   2HD1  LEU  33          HD11      LEU  33  -4.330  -4.191   0.769
  271   3HD1  LEU  33          HD12      LEU  33  -2.634  -3.724   0.877
  272   1HD2  LEU  33          HD22      LEU  33  -5.177  -3.353   3.167
  273   2HD2  LEU  33          HD23      LEU  33  -3.822  -3.139   4.277
  274   3HD2  LEU  33          HD21      LEU  33  -3.772  -2.410   2.672
  275    H    GLN  34           HN       GLN  34  -3.384  -8.820   4.130
  276    HA   GLN  34           HA       GLN  34  -5.972  -9.859   4.564
  277   1HB   GLN  34           HB2      GLN  34  -3.241 -11.128   4.586
  278   2HB   GLN  34           HB3      GLN  34  -4.673 -12.069   4.975
  279   1HG   GLN  34           HG2      GLN  34  -5.620 -11.574   2.790
  280   2HG   GLN  34           HG3      GLN  34  -4.226 -10.568   2.396
  281   1HE2  GLN  34          HE22      GLN  34  -3.054 -13.432   0.750
  282   2HE2  GLN  34          HE21      GLN  34  -3.786 -11.877   0.582
  283    H    GLU  35           HN       GLU  35  -3.268  -9.326   6.780
  284    HA   GLU  35           HA       GLU  35  -4.594 -10.543   9.049
  285   1HB   GLU  35           HB2      GLU  35  -2.226  -8.670   9.145
  286   2HB   GLU  35           HB3      GLU  35  -2.683  -9.896  10.318
  287   1HG   GLU  35           HG2      GLU  35  -2.349 -11.335   7.983
  288   2HG   GLU  35           HG3      GLU  35  -1.079 -10.116   7.896
  289    H    GLN  36           HN       GLN  36  -4.384  -7.351   7.648
  290    HA   GLN  36           HA       GLN  36  -5.154  -5.776   9.860
  291   1HB   GLN  36           HB2      GLN  36  -5.360  -5.376   6.887
  292   2HB   GLN  36           HB3      GLN  36  -5.973  -4.180   8.005
  293   1HG   GLN  36           HG2      GLN  36  -3.174  -5.157   8.323
  294   2HG   GLN  36           HG3      GLN  36  -3.538  -4.028   7.020
  295   1HE2  GLN  36          HE22      GLN  36  -3.628  -1.247   9.101
  296   2HE2  GLN  36          HE21      GLN  36  -3.700  -1.907   7.502
  297    H    GLY  37           HN       GLY  37  -7.138  -7.065   7.182
  298   1HA   GLY  37           HA1      GLY  37  -9.289  -8.020   8.486
  299   2HA   GLY  37           HA2      GLY  37  -9.591  -6.292   8.538
  300    H    PHE  38           HN       PHE  38  -7.974  -7.732   5.792
  301    HA   PHE  38           HA       PHE  38 -10.444  -7.385   4.201
  302   1HB   PHE  38           HB2      PHE  38  -7.648  -6.911   3.169
  303   2HB   PHE  38           HB3      PHE  38  -9.174  -6.511   2.388
  304    HD1  PHE  38           HD1      PHE  38 -10.550  -4.655   3.278
  305    HD2  PHE  38           HD2      PHE  38  -6.667  -5.478   4.799
  306    HE1  PHE  38           HE1      PHE  38 -10.473  -2.428   4.304
  307    HE2  PHE  38           HE2      PHE  38  -6.582  -3.256   5.824
  308    HZ   PHE  38           HZ       PHE  38  -8.482  -1.724   5.573
  309    H    ASP  39           HN       ASP  39 -11.170  -9.318   3.682
  310    HA   ASP  39           HA       ASP  39  -9.334 -11.556   3.310
  311   1HB   ASP  39           HB2      ASP  39 -11.680 -12.795   3.105
  312   2HB   ASP  39           HB3      ASP  39 -10.989 -12.377   4.661
  313    H    ASN  40           HN       ASN  40 -10.543  -9.351   1.330
  314    HA   ASN  40           HA       ASN  40 -10.618 -11.155  -0.985
  315   1HB   ASN  40           HB2      ASN  40 -12.783  -9.869  -0.430
  316   2HB   ASN  40           HB3      ASN  40 -11.925  -8.430  -0.961
  317   1HD2  ASN  40          HD22      ASN  40 -13.159 -11.240  -3.649
  318   2HD2  ASN  40          HD21      ASN  40 -13.100 -11.587  -1.959
  319    H    ILE  41           HN       ILE  41  -8.222 -10.820  -0.557
  320    HA   ILE  41           HA       ILE  41  -7.251  -8.580  -2.201
  321    HB   ILE  41           HB       ILE  41  -6.725  -9.033   0.659
  322   1HG1  ILE  41          HG12      ILE  41  -7.656  -6.964  -0.583
  323   2HG1  ILE  41          HG13      ILE  41  -6.495  -6.702   0.715
  324   1HG2  ILE  41          HG23      ILE  41  -4.362  -8.527  -1.146
  325   2HG2  ILE  41          HG21      ILE  41  -4.380  -8.220   0.587
  326   3HG2  ILE  41          HG22      ILE  41  -4.588  -9.862  -0.012
  327   1HD1  ILE  41          HD13      ILE  41  -5.273  -7.005  -1.920
  328   2HD1  ILE  41          HD11      ILE  41  -6.346  -5.613  -1.766
  329   3HD1  ILE  41          HD12      ILE  41  -4.987  -5.809  -0.659
  330    H    ASN  42           HN       ASN  42  -5.369  -8.962  -3.336
  331    HA   ASN  42           HA       ASN  42  -3.850 -11.370  -2.989
  332   1HB   ASN  42           HB2      ASN  42  -4.151 -12.266  -5.257
  333   2HB   ASN  42           HB3      ASN  42  -5.658 -12.281  -4.359
  334   1HD2  ASN  42          HD22      ASN  42  -6.759 -11.183  -7.571
  335   2HD2  ASN  42          HD21      ASN  42  -6.351 -12.603  -6.673
  336    H    GLN  43           HN       GLN  43  -2.192 -11.487  -4.969
  337    HA   GLN  43           HA       GLN  43  -0.517  -9.271  -4.713
  338   1HB   GLN  43           HB2      GLN  43   0.118 -11.620  -5.422
  339   2HB   GLN  43           HB3      GLN  43  -0.445 -11.204  -7.036
  340   1HG   GLN  43           HG2      GLN  43   1.239  -9.539  -7.285
  341   2HG   GLN  43           HG3      GLN  43   1.685  -9.647  -5.584
  342   1HE2  GLN  43          HE22      GLN  43   2.834 -12.660  -8.117
  343   2HE2  GLN  43          HE21      GLN  43   1.372 -11.785  -8.407
  344    H    SER  44           HN       SER  44  -2.857 -10.016  -7.264
  345    HA   SER  44           HA       SER  44  -2.132  -7.955  -9.037
  346   1HB   SER  44           HB2      SER  44  -4.827  -9.309  -8.705
  347   2HB   SER  44           HB3      SER  44  -4.267  -8.428 -10.122
  348    HG   SER  44           HG       SER  44  -2.408 -10.092  -9.907
  349    H    LYS  45           HN       LYS  45  -4.478  -8.059  -6.378
  350    HA   LYS  45           HA       LYS  45  -5.653  -5.519  -6.783
  351   1HB   LYS  45           HB2      LYS  45  -6.034  -7.602  -5.016
  352   2HB   LYS  45           HB3      LYS  45  -5.369  -6.364  -3.970
  353   1HG   LYS  45           HG2      LYS  45  -7.564  -5.850  -3.772
  354   2HG   LYS  45           HG3      LYS  45  -7.199  -4.875  -5.193
  355   1HD   LYS  45           HD2      LYS  45  -8.174  -6.460  -6.658
  356   2HD   LYS  45           HD3      LYS  45  -8.201  -7.713  -5.417
  357   1HE   LYS  45           HE2      LYS  45 -10.374  -7.128  -5.219
  358   2HE   LYS  45           HE3      LYS  45  -9.726  -5.826  -4.223
  359   1HZ   LYS  45           HZ1      LYS  45 -10.064  -5.465  -7.136
  360   2HZ   LYS  45           HZ3      LYS  45 -11.371  -5.243  -6.071
  361   3HZ   LYS  45           HZ2      LYS  45  -9.974  -4.280  -5.910
  362    H    VAL  46           HN       VAL  46  -2.796  -6.548  -4.998
  363    HA   VAL  46           HA       VAL  46  -2.210  -4.002  -3.835
  364    HB   VAL  46           HB       VAL  46  -0.699  -6.591  -4.016
  365   1HG1  VAL  46          HG11      VAL  46   0.285  -3.935  -3.035
  366   2HG1  VAL  46          HG12      VAL  46   0.844  -5.429  -2.293
  367   3HG1  VAL  46          HG13      VAL  46   1.127  -5.145  -4.006
  368   1HG2  VAL  46          HG21      VAL  46  -2.212  -5.065  -1.928
  369   2HG2  VAL  46          HG22      VAL  46  -2.364  -6.754  -2.402
  370   3HG2  VAL  46          HG23      VAL  46  -0.978  -6.222  -1.454
  371    H    SER  47           HN       SER  47  -0.817  -5.807  -6.604
  372    HA   SER  47           HA       SER  47   1.076  -3.828  -7.320
  373   1HB   SER  47           HB2      SER  47   0.945  -4.964  -9.618
  374   2HB   SER  47           HB3      SER  47   1.426  -5.967  -8.253
  375    HG   SER  47           HG       SER  47  -0.455  -7.010  -8.310
  376    H    ARG  48           HN       ARG  48  -2.330  -4.238  -8.098
  377    HA   ARG  48           HA       ARG  48  -2.489  -2.285 -10.154
  378   1HB   ARG  48           HB2      ARG  48  -4.484  -3.651  -8.381
  379   2HB   ARG  48           HB3      ARG  48  -4.994  -2.263  -9.332
  380   1HG   ARG  48           HG2      ARG  48  -3.544  -4.520 -10.650
  381   2HG   ARG  48           HG3      ARG  48  -5.262  -4.656 -10.295
  382   1HD   ARG  48           HD2      ARG  48  -3.953  -2.492 -11.934
  383   2HD   ARG  48           HD3      ARG  48  -4.887  -3.837 -12.572
  384    HE   ARG  48           HE       ARG  48  -5.898  -1.425 -11.312
  385   1HH1  ARG  48          HH12      ARG  48  -6.622  -4.714 -12.296
  386   2HH1  ARG  48          HH11      ARG  48  -8.346  -4.447 -12.348
  387   1HH2  ARG  48          HH22      ARG  48  -8.173  -1.084 -11.374
  388   2HH2  ARG  48          HH21      ARG  48  -9.213  -2.406 -11.819
  389    H    MET  49           HN       MET  49  -3.213  -2.124  -6.666
  390    HA   MET  49           HA       MET  49  -3.864   0.625  -6.647
  391   1HB   MET  49           HB2      MET  49  -3.120  -1.338  -4.499
  392   2HB   MET  49           HB3      MET  49  -3.341   0.362  -4.120
  393   1HG   MET  49           HG2      MET  49  -5.618   0.227  -5.118
  394   2HG   MET  49           HG3      MET  49  -5.381  -1.509  -5.289
  395   1HE   MET  49           HE1      MET  49  -4.271  -2.788  -3.036
  396   2HE   MET  49           HE2      MET  49  -5.448  -2.860  -1.727
  397   3HE   MET  49           HE3      MET  49  -5.947  -3.215  -3.380
  398    H    LEU  50           HN       LEU  50  -0.760  -1.061  -6.285
  399    HA   LEU  50           HA       LEU  50   0.771   1.162  -5.402
  400   1HB   LEU  50           HB2      LEU  50   1.414  -1.463  -6.683
  401   2HB   LEU  50           HB3      LEU  50   2.654  -0.224  -6.710
  402    HG   LEU  50           HG       LEU  50   1.421  -0.676  -4.068
  403   1HD1  LEU  50          HD12      LEU  50   1.601  -2.988  -5.145
  404   2HD1  LEU  50          HD13      LEU  50   3.342  -2.748  -5.062
  405   3HD1  LEU  50          HD11      LEU  50   2.380  -2.753  -3.583
  406   1HD2  LEU  50          HD21      LEU  50   4.095  -0.068  -5.176
  407   2HD2  LEU  50          HD22      LEU  50   3.196   0.693  -3.861
  408   3HD2  LEU  50          HD23      LEU  50   3.993  -0.852  -3.602
  409    H    THR  51           HN       THR  51   0.090  -0.095  -8.653
  410    HA   THR  51           HA       THR  51   1.557   1.919 -10.041
  411    HB   THR  51           HB       THR  51  -0.721   0.312 -11.215
  412    HG1  THR  51           HG1      THR  51   0.527  -1.204 -10.170
  413   1HG2  THR  51          HG23      THR  51   1.891   1.250 -12.382
  414   2HG2  THR  51          HG22      THR  51   0.682   0.265 -13.208
  415   3HG2  THR  51          HG21      THR  51   0.294   1.916 -12.726
  416    H    LYS  52           HN       LYS  52  -1.781   1.607  -8.975
  417    HA   LYS  52           HA       LYS  52  -2.840   3.821 -10.416
  418   1HB   LYS  52           HB2      LYS  52  -4.257   2.018  -9.549
  419   2HB   LYS  52           HB3      LYS  52  -3.848   2.467  -7.901
  420   1HG   LYS  52           HG2      LYS  52  -4.948   4.688  -9.444
  421   2HG   LYS  52           HG3      LYS  52  -6.046   3.313  -9.319
  422   1HD   LYS  52           HD2      LYS  52  -6.063   3.396  -6.968
  423   2HD   LYS  52           HD3      LYS  52  -4.643   4.435  -6.904
  424   1HE   LYS  52           HE2      LYS  52  -6.731   5.640  -6.386
  425   2HE   LYS  52           HE3      LYS  52  -5.907   6.295  -7.800
  426   1HZ   LYS  52           HZ3      LYS  52  -8.128   4.333  -8.003
  427   2HZ   LYS  52           HZ2      LYS  52  -8.383   6.018  -7.996
  428   3HZ   LYS  52           HZ1      LYS  52  -7.466   5.302  -9.241
  429    H    PHE  53           HN       PHE  53  -2.010   3.472  -6.943
  430    HA   PHE  53           HA       PHE  53  -2.384   6.242  -6.379
  431   1HB   PHE  53           HB2      PHE  53  -1.126   3.989  -4.795
  432   2HB   PHE  53           HB3      PHE  53  -1.251   5.630  -4.173
  433    HD1  PHE  53           HD2      PHE  53  -3.802   6.608  -4.661
  434    HD2  PHE  53           HD1      PHE  53  -2.681   2.561  -3.974
  435    HE1  PHE  53           HE2      PHE  53  -6.083   6.107  -3.900
  436    HE2  PHE  53           HE1      PHE  53  -4.950   2.052  -3.208
  437    HZ   PHE  53           HZ       PHE  53  -6.664   3.818  -3.179
  438    H    GLY  54           HN       GLY  54   0.304   4.465  -7.637
  439   1HA   GLY  54           HA1      GLY  54   2.281   5.277  -8.518
  440   2HA   GLY  54           HA2      GLY  54   1.805   6.891  -8.016
  441    H    ALA  55           HN       ALA  55   2.801   3.798  -6.569
  442    HA   ALA  55           HA       ALA  55   3.965   5.082  -4.266
  443   1HB   ALA  55           HB2      ALA  55   2.863   2.843  -4.200
  444   2HB   ALA  55           HB3      ALA  55   4.240   2.197  -5.094
  445   3HB   ALA  55           HB1      ALA  55   4.474   2.883  -3.486
  446    H    VAL  56           HN       VAL  56   6.138   5.149  -3.689
  447    HA   VAL  56           HA       VAL  56   8.082   4.821  -5.894
  448    HB   VAL  56           HB       VAL  56   9.405   6.629  -4.778
  449   1HG1  VAL  56          HG13      VAL  56   6.883   6.930  -6.238
  450   2HG1  VAL  56          HG11      VAL  56   7.388   8.381  -5.367
  451   3HG1  VAL  56          HG12      VAL  56   8.469   7.635  -6.547
  452   1HG2  VAL  56          HG21      VAL  56   7.485   6.342  -2.724
  453   2HG2  VAL  56          HG22      VAL  56   8.832   7.472  -2.801
  454   3HG2  VAL  56          HG23      VAL  56   7.252   7.940  -3.423
  455    H    ARG  57           HN       ARG  57   9.975   3.746  -5.478
  456    HA   ARG  57           HA       ARG  57  10.166   2.308  -2.925
  457   1HB   ARG  57           HB2      ARG  57  11.432   1.941  -5.634
  458   2HB   ARG  57           HB3      ARG  57  12.142   1.197  -4.218
  459   1HG   ARG  57           HG2      ARG  57   9.710   0.301  -3.834
  460   2HG   ARG  57           HG3      ARG  57   9.553   0.619  -5.561
  461   1HD   ARG  57           HD2      ARG  57  10.201  -1.706  -5.092
  462   2HD   ARG  57           HD3      ARG  57  11.417  -0.860  -6.045
  463    HE   ARG  57           HE       ARG  57  12.517  -0.525  -3.718
  464   1HH1  ARG  57          HH12      ARG  57  10.841  -3.429  -4.783
  465   2HH1  ARG  57          HH11      ARG  57  11.793  -4.475  -3.771
  466   1HH2  ARG  57          HH22      ARG  57  13.725  -1.874  -2.420
  467   2HH2  ARG  57          HH21      ARG  57  13.445  -3.592  -2.418
  468    H    THR  58           HN       THR  58  11.509   2.954  -1.358
  469    HA   THR  58           HA       THR  58  14.013   4.282  -1.946
  470    HB   THR  58           HB       THR  58  12.248   6.108  -2.085
  471    HG1  THR  58           HG1      THR  58  13.714   7.451  -1.427
  472   1HG2  THR  58          HG22      THR  58  10.955   5.197  -0.057
  473   2HG2  THR  58          HG21      THR  58  12.151   6.072   0.901
  474   3HG2  THR  58          HG23      THR  58  11.134   6.940  -0.249
  475    H    ARG  59           HN       ARG  59  14.933   5.154   0.313
  476    HA   ARG  59           HA       ARG  59  14.821   2.856   2.095
  477   1HB   ARG  59           HB2      ARG  59  16.831   3.500   2.991
  478   2HB   ARG  59           HB3      ARG  59  16.995   3.958   1.315
  479   1HG   ARG  59           HG2      ARG  59  16.467   6.268   1.893
  480   2HG   ARG  59           HG3      ARG  59  16.320   5.802   3.588
  481   1HD   ARG  59           HD2      ARG  59  18.558   5.550   3.875
  482   2HD   ARG  59           HD3      ARG  59  18.819   5.049   2.203
  483    HE   ARG  59           HE       ARG  59  18.130   7.859   2.738
  484   1HH1  ARG  59          HH12      ARG  59  20.568   5.497   1.797
  485   2HH1  ARG  59          HH11      ARG  59  21.662   6.701   1.178
  486   1HH2  ARG  59          HH22      ARG  59  19.583   9.419   1.918
  487   2HH2  ARG  59          HH21      ARG  59  21.112   8.911   1.250
  488    H    ASN  60           HN       ASN  60  14.326   2.972   4.295
  489    HA   ASN  60           HA       ASN  60  12.562   5.192   5.028
  490   1HB   ASN  60           HB2      ASN  60  11.733   3.771   6.802
  491   2HB   ASN  60           HB3      ASN  60  11.750   2.864   5.304
  492   1HD2  ASN  60          HD22      ASN  60  12.955   0.485   7.701
  493   2HD2  ASN  60          HD21      ASN  60  11.487   1.246   7.184
  494    H    ALA  61           HN       ALA  61  12.797   5.064   7.818
  495    HA   ALA  61           HA       ALA  61  14.879   6.878   8.300
  496   1HB   ALA  61           HB1      ALA  61  12.839   6.836   9.613
  497   2HB   ALA  61           HB2      ALA  61  13.286   5.274  10.301
  498   3HB   ALA  61           HB3      ALA  61  14.251   6.707  10.661
  499    H    LYS  62           HN       LYS  62  15.261   3.564   7.921
  500    HA   LYS  62           HA       LYS  62  17.810   3.623   9.404
  501   1HB   LYS  62           HB2      LYS  62  15.973   1.222   9.266
  502   2HB   LYS  62           HB3      LYS  62  17.559   1.291  10.022
  503   1HG   LYS  62           HG2      LYS  62  16.407   1.665  11.908
  504   2HG   LYS  62           HG3      LYS  62  16.287   3.316  11.310
  505   1HD   LYS  62           HD2      LYS  62  14.073   2.927  11.713
  506   2HD   LYS  62           HD3      LYS  62  14.159   2.317  10.061
  507   1HE   LYS  62           HE2      LYS  62  14.844   0.094  11.458
  508   2HE   LYS  62           HE3      LYS  62  13.764   0.874  12.606
  509   1HZ   LYS  62           HZ1      LYS  62  12.175   1.076  10.631
  510   2HZ   LYS  62           HZ3      LYS  62  13.165  -0.090   9.881
  511   3HZ   LYS  62           HZ2      LYS  62  12.368  -0.464  11.335
  512    H    MET  63           HN       MET  63  17.096   4.015   6.526
  513    HA   MET  63           HA       MET  63  18.084   3.588   4.528
  514   1HB   MET  63           HB2      MET  63  19.996   1.615   5.719
  515   2HB   MET  63           HB3      MET  63  20.268   2.825   4.484
  516   1HG   MET  63           HG2      MET  63  19.764   4.453   6.540
  517   2HG   MET  63           HG3      MET  63  20.383   3.055   7.415
  518   1HE   MET  63           HE3      MET  63  20.995   6.189   6.191
  519   2HE   MET  63           HE1      MET  63  22.724   6.340   5.886
  520   3HE   MET  63           HE2      MET  63  21.641   5.870   4.580
  521    H    GLU  64           HN       GLU  64  16.106   1.495   5.863
  522    HA   GLU  64           HA       GLU  64  16.664  -0.899   4.334
  523   1HB   GLU  64           HB2      GLU  64  14.079  -0.215   5.745
  524   2HB   GLU  64           HB3      GLU  64  14.668  -1.807   5.293
  525   1HG   GLU  64           HG2      GLU  64  16.461  -1.639   6.933
  526   2HG   GLU  64           HG3      GLU  64  15.933  -0.015   7.365
  527    H    MET  65           HN       MET  65  16.205  -1.120   2.239
  528    HA   MET  65           HA       MET  65  14.777   0.845   0.752
  529   1HB   MET  65           HB2      MET  65  15.515  -1.937  -0.192
  530   2HB   MET  65           HB3      MET  65  15.248  -0.506  -1.175
  531   1HG   MET  65           HG2      MET  65  17.557  -1.048   0.676
  532   2HG   MET  65           HG3      MET  65  17.589  -0.925  -1.082
  533   1HE   MET  65           HE2      MET  65  16.614   0.993  -2.263
  534   2HE   MET  65           HE3      MET  65  15.844   2.321  -1.399
  535   3HE   MET  65           HE1      MET  65  17.470   2.518  -2.053
  536    H    VAL  66           HN       VAL  66  12.618   1.069   0.933
  537    HA   VAL  66           HA       VAL  66  10.911  -1.293   0.594
  538    HB   VAL  66           HB       VAL  66   9.382  -0.465   2.408
  539   1HG1  VAL  66          HG13      VAL  66  11.115  -2.266   2.740
  540   2HG1  VAL  66          HG11      VAL  66  12.145  -1.033   3.472
  541   3HG1  VAL  66          HG12      VAL  66  10.594  -1.436   4.207
  542   1HG2  VAL  66          HG23      VAL  66  11.632   1.495   2.813
  543   2HG2  VAL  66          HG21      VAL  66   9.903   1.809   2.665
  544   3HG2  VAL  66          HG22      VAL  66  10.542   1.049   4.123
  545    H    TYR  67           HN       TYR  67   8.525  -0.506   0.554
  546    HA   TYR  67           HA       TYR  67   8.256   1.414  -1.595
  547   1HB   TYR  67           HB2      TYR  67   6.506  -0.648  -0.321
  548   2HB   TYR  67           HB3      TYR  67   5.715   0.719  -1.082
  549    HD1  TYR  67           HD1      TYR  67   7.361   1.222  -3.434
  550    HD2  TYR  67           HD2      TYR  67   6.063  -2.449  -1.726
  551    HE1  TYR  67           HE1      TYR  67   7.492   0.170  -5.641
  552    HE2  TYR  67           HE2      TYR  67   6.166  -3.528  -3.938
  553    HH   TYR  67           HH       TYR  67   7.499  -1.829  -6.741
  554    H    CYS  68           HN       CYS  68   7.175   3.344  -1.481
  555    HA   CYS  68           HA       CYS  68   5.875   4.176   0.979
  556   1HB   CYS  68           HB2      CYS  68   8.323   4.835   1.151
  557   2HB   CYS  68           HB3      CYS  68   8.060   5.908  -0.210
  558    HG   CYS  68           HG       CYS  68   7.589   6.656   2.577
  559    H    LEU  69           HN       LEU  69   5.041   6.528   0.610
  560    HA   LEU  69           HA       LEU  69   4.013   6.723  -2.156
  561   1HB   LEU  69           HB2      LEU  69   2.466   6.030  -0.092
  562   2HB   LEU  69           HB3      LEU  69   2.407   7.769   0.125
  563    HG   LEU  69           HG       LEU  69   1.515   8.031  -2.147
  564   1HD1  LEU  69          HD11      LEU  69   2.229   5.187  -2.302
  565   2HD1  LEU  69          HD12      LEU  69   0.641   5.589  -2.955
  566   3HD1  LEU  69          HD13      LEU  69   2.076   6.398  -3.579
  567   1HD2  LEU  69          HD22      LEU  69  -0.007   7.768  -0.251
  568   2HD2  LEU  69          HD23      LEU  69  -0.686   7.080  -1.727
  569   3HD2  LEU  69          HD21      LEU  69  -0.003   6.024  -0.490
  570    HA   PRO  70           HA       PRO  70   5.562  10.939  -1.707
  571   1HB   PRO  70           HB2      PRO  70   5.076  11.801  -4.196
  572   2HB   PRO  70           HB3      PRO  70   6.332  10.604  -3.877
  573   1HG   PRO  70           HG2      PRO  70   3.643  10.235  -5.070
  574   2HG   PRO  70           HG3      PRO  70   5.150   9.357  -5.383
  575   1HD   PRO  70           HD2      PRO  70   3.016   8.557  -3.713
  576   2HD   PRO  70           HD3      PRO  70   4.602   7.774  -3.865
  577    H    ALA  71           HN       ALA  71   4.311  13.101  -2.936
  578    HA   ALA  71           HA       ALA  71   2.021  13.568  -1.311
  579   1HB   ALA  71           HB3      ALA  71   3.309  15.033  -3.579
  580   2HB   ALA  71           HB1      ALA  71   1.694  15.505  -3.057
  581   3HB   ALA  71           HB2      ALA  71   3.033  15.547  -1.915
  582    H    GLU  72           HN       GLU  72   0.178  12.447  -1.563
  583    HA   GLU  72           HA       GLU  72  -0.657  10.688  -3.316
  584   1HB   GLU  72           HB2      GLU  72  -2.211  12.665  -1.726
  585   2HB   GLU  72           HB3      GLU  72  -3.098  11.757  -2.941
  586   1HG   GLU  72           HG2      GLU  72  -3.374  10.429  -1.098
  587   2HG   GLU  72           HG3      GLU  72  -1.980   9.678  -1.866
  588    H    LEU  73           HN       LEU  73  -0.505  10.637  -5.432
  589    HA   LEU  73           HA       LEU  73  -0.617  12.848  -7.137
  590   1HB   LEU  73           HB2      LEU  73   0.060  11.433  -8.753
  591   2HB   LEU  73           HB3      LEU  73   0.392  10.406  -7.374
  592    HG   LEU  73           HG       LEU  73  -0.561   8.991  -8.951
  593   1HD1  LEU  73          HD13      LEU  73  -1.855   9.336  -6.576
  594   2HD1  LEU  73          HD11      LEU  73  -3.177   9.379  -7.744
  595   3HD1  LEU  73          HD12      LEU  73  -2.081   8.004  -7.697
  596   1HD2  LEU  73          HD21      LEU  73  -1.694  11.247 -10.057
  597   2HD2  LEU  73          HD22      LEU  73  -1.865   9.591 -10.627
  598   3HD2  LEU  73          HD23      LEU  73  -3.082  10.281  -9.556
  599    H    GLY  74           HN       GLY  74  -3.186  11.138  -5.770
  600   1HA   GLY  74           HA1      GLY  74  -5.129  11.937  -7.820
  601   2HA   GLY  74           HA2      GLY  74  -5.441  10.886  -6.445
  602    H    VAL  75           HN       VAL  75  -5.311  14.130  -7.581
  603    HA   VAL  75           HA       VAL  75  -5.219  15.679  -5.329
  604    HB   VAL  75           HB       VAL  75  -7.014  17.131  -6.752
  605   1HG1  VAL  75          HG22      VAL  75  -4.756  17.824  -6.152
  606   2HG1  VAL  75          HG23      VAL  75  -4.090  16.787  -7.417
  607   3HG1  VAL  75          HG21      VAL  75  -5.095  18.173  -7.849
  608   1HG2  VAL  75          HG12      VAL  75  -7.183  15.109  -8.344
  609   2HG2  VAL  75          HG13      VAL  75  -6.968  16.710  -9.042
  610   3HG2  VAL  75          HG11      VAL  75  -5.593  15.615  -8.917
  611    HA   PRO  76           HA       PRO  76  -8.663  14.757  -2.702
  612   1HB   PRO  76           HB2      PRO  76  -8.815  17.704  -2.237
  613   2HB   PRO  76           HB3      PRO  76  -8.690  16.379  -1.076
  614   1HG   PRO  76           HG2      PRO  76  -6.578  17.903  -1.646
  615   2HG   PRO  76           HG3      PRO  76  -6.398  16.160  -1.373
  616   1HD   PRO  76           HD2      PRO  76  -6.355  17.693  -3.938
  617   2HD   PRO  76           HD3      PRO  76  -5.419  16.266  -3.451
  618    H    THR  77           HN       THR  77 -10.688  14.337  -3.184
  619    HA   THR  77           HA       THR  77 -12.562  16.330  -4.009
  620    HB   THR  77           HB       THR  77 -11.522  15.839  -6.201
  621    HG1  THR  77           HG1      THR  77 -13.482  16.304  -6.738
  622   1HG2  THR  77          HG22      THR  77 -10.855  13.473  -5.794
  623   2HG2  THR  77          HG21      THR  77 -12.543  13.014  -6.020
  624   3HG2  THR  77          HG23      THR  77 -11.653  13.767  -7.338
  625    H    THR  78           HN       THR  78 -12.665  15.100  -1.767
  626    HA   THR  78           HA       THR  78 -14.835  13.133  -1.980
  627    HB   THR  78           HB       THR  78 -13.679  11.912  -0.008
  628    HG1  THR  78           HG1      THR  78 -11.939  13.814  -0.277
  629   1HG2  THR  78          HG23      THR  78 -13.838  10.911  -2.235
  630   2HG2  THR  78          HG22      THR  78 -12.335  11.717  -2.691
  631   3HG2  THR  78          HG21      THR  78 -12.332  10.504  -1.410
   
  No H/Q in entry =         631
  Start of MODEL    4
    1   1H    MET   1           HT1      MET   1 -17.948  10.038   0.456
    2   2H    MET   1           HT3      MET   1 -18.637  11.613   0.408
    3   3H    MET   1           HT2      MET   1 -17.082  11.372   1.103
    4    HA   MET   1           HA       MET   1 -17.862  10.621   3.000
    5   1HB   MET   1           HB2      MET   1 -20.239  12.090   1.835
    6   2HB   MET   1           HB3      MET   1 -20.093  11.685   3.537
    7   1HG   MET   1           HG2      MET   1 -18.363  13.551   1.935
    8   2HG   MET   1           HG3      MET   1 -19.438  13.948   3.271
    9   1HE   MET   1           HE2      MET   1 -19.206  12.355   5.427
   10   2HE   MET   1           HE3      MET   1 -17.668  12.297   6.288
   11   3HE   MET   1           HE1      MET   1 -18.449  13.848   5.990
   12    H    ARG   2           HN       ARG   2 -19.808   9.608   4.241
   13    HA   ARG   2           HA       ARG   2 -21.052   7.773   4.678
   14   1HB   ARG   2           HB2      ARG   2 -21.848   7.844   1.757
   15   2HB   ARG   2           HB3      ARG   2 -22.702   7.044   3.068
   16   1HG   ARG   2           HG2      ARG   2 -22.997   9.328   4.111
   17   2HG   ARG   2           HG3      ARG   2 -22.397  10.001   2.593
   18   1HD   ARG   2           HD2      ARG   2 -24.798  10.004   2.518
   19   2HD   ARG   2           HD3      ARG   2 -24.203   8.792   1.392
   20    HE   ARG   2           HE       ARG   2 -25.135   7.126   2.676
   21   1HH1  ARG   2          HH12      ARG   2 -25.307  10.179   4.406
   22   2HH1  ARG   2          HH11      ARG   2 -26.384   9.565   5.632
   23   1HH2  ARG   2          HH22      ARG   2 -26.541   6.322   4.281
   24   2HH2  ARG   2          HH21      ARG   2 -27.086   7.373   5.560
   25    H    SER   3           HN       SER   3 -18.704   6.951   4.758
   26    HA   SER   3           HA       SER   3 -18.404   4.627   2.955
   27   1HB   SER   3           HB2      SER   3 -16.174   6.156   4.335
   28   2HB   SER   3           HB3      SER   3 -15.988   4.820   3.198
   29    HG   SER   3           HG       SER   3 -16.090   6.227   1.644
   30    H    SER   4           HN       SER   4 -19.811   3.547   4.518
   31    HA   SER   4           HA       SER   4 -18.292   2.511   6.838
   32   1HB   SER   4           HB2      SER   4 -21.296   2.925   6.689
   33   2HB   SER   4           HB3      SER   4 -20.402   2.258   8.058
   34    HG   SER   4           HG       SER   4 -20.493   4.314   8.636
   35    H    ALA   5           HN       ALA   5 -17.626   0.564   6.217
   36    HA   ALA   5           HA       ALA   5 -17.709  -1.658   5.697
   37   1HB   ALA   5           HB3      ALA   5 -20.114  -1.565   6.595
   38   2HB   ALA   5           HB1      ALA   5 -20.599  -1.517   4.902
   39   3HB   ALA   5           HB2      ALA   5 -19.671  -2.884   5.516
   40    H    LYS   6           HN       LYS   6 -17.215   0.610   3.863
   41    HA   LYS   6           HA       LYS   6 -17.780  -0.661   1.255
   42   1HB   LYS   6           HB2      LYS   6 -16.983   2.203   1.854
   43   2HB   LYS   6           HB3      LYS   6 -17.317   1.540   0.259
   44   1HG   LYS   6           HG2      LYS   6 -19.626   0.913   1.468
   45   2HG   LYS   6           HG3      LYS   6 -19.184   2.327   2.424
   46   1HD   LYS   6           HD2      LYS   6 -19.254   3.756   0.577
   47   2HD   LYS   6           HD3      LYS   6 -19.113   2.429  -0.576
   48   1HE   LYS   6           HE2      LYS   6 -21.340   3.006  -0.768
   49   2HE   LYS   6           HE3      LYS   6 -21.397   1.670   0.376
   50   1HZ   LYS   6           HZ1      LYS   6 -21.291   3.508   2.149
   51   2HZ   LYS   6           HZ3      LYS   6 -21.742   4.562   0.891
   52   3HZ   LYS   6           HZ2      LYS   6 -22.758   3.272   1.327
   53    H    GLN   7           HN       GLN   7 -15.945  -0.416  -0.344
   54    HA   GLN   7           HA       GLN   7 -13.594  -1.497   0.816
   55   1HB   GLN   7           HB2      GLN   7 -14.643  -1.895  -1.549
   56   2HB   GLN   7           HB3      GLN   7 -13.636  -0.533  -2.021
   57   1HG   GLN   7           HG2      GLN   7 -12.055  -2.072  -2.381
   58   2HG   GLN   7           HG3      GLN   7 -11.852  -2.039  -0.630
   59   1HE2  GLN   7          HE22      GLN   7 -13.129  -5.261  -0.101
   60   2HE2  GLN   7          HE21      GLN   7 -12.670  -3.752   0.609
   61    H    GLU   8           HN       GLU   8 -14.380   1.609   1.021
   62    HA   GLU   8           HA       GLU   8 -11.992   2.946   0.170
   63   1HB   GLU   8           HB2      GLU   8 -14.203   3.729   2.082
   64   2HB   GLU   8           HB3      GLU   8 -12.858   4.787   1.685
   65   1HG   GLU   8           HG2      GLU   8 -13.738   4.128  -0.795
   66   2HG   GLU   8           HG3      GLU   8 -15.243   4.071   0.121
   67    H    GLU   9           HN       GLU   9 -12.461   0.738   2.610
   68    HA   GLU   9           HA       GLU   9 -10.784   2.002   4.636
   69   1HB   GLU   9           HB2      GLU   9 -12.074  -0.729   4.483
   70   2HB   GLU   9           HB3      GLU   9 -11.067  -0.198   5.824
   71   1HG   GLU   9           HG2      GLU   9 -13.233   1.662   5.133
   72   2HG   GLU   9           HG3      GLU   9 -13.782   0.075   5.662
   73    H    LEU  10           HN       LEU  10 -10.629  -0.597   2.265
   74    HA   LEU  10           HA       LEU  10  -7.973  -1.457   2.815
   75   1HB   LEU  10           HB2      LEU  10  -9.278  -2.964   1.590
   76   2HB   LEU  10           HB3      LEU  10  -9.858  -1.731   0.490
   77    HG   LEU  10           HG       LEU  10  -7.601  -1.662  -0.562
   78   1HD1  LEU  10          HD11      LEU  10  -6.345  -2.461   1.420
   79   2HD1  LEU  10          HD12      LEU  10  -7.013  -4.066   1.145
   80   3HD1  LEU  10          HD13      LEU  10  -5.967  -3.326  -0.065
   81   1HD2  LEU  10          HD22      LEU  10  -9.420  -3.077  -1.444
   82   2HD2  LEU  10          HD23      LEU  10  -7.814  -3.727  -1.770
   83   3HD2  LEU  10          HD21      LEU  10  -8.801  -4.421  -0.481
   84    H    VAL  11           HN       VAL  11  -9.379   1.095   0.844
   85    HA   VAL  11           HA       VAL  11  -6.971   1.767  -0.552
   86    HB   VAL  11           HB       VAL  11  -9.632   3.134  -0.242
   87   1HG1  VAL  11          HG11      VAL  11  -7.097   4.328  -1.241
   88   2HG1  VAL  11          HG12      VAL  11  -8.572   4.644  -2.156
   89   3HG1  VAL  11          HG13      VAL  11  -8.478   5.098  -0.455
   90   1HG2  VAL  11          HG22      VAL  11  -9.301   1.169  -1.749
   91   2HG2  VAL  11          HG23      VAL  11  -9.899   2.625  -2.541
   92   3HG2  VAL  11          HG21      VAL  11  -8.205   2.168  -2.701
   93    H    LYS  12           HN       LYS  12  -8.600   3.350   2.282
   94    HA   LYS  12           HA       LYS  12  -6.608   5.339   2.684
   95   1HB   LYS  12           HB2      LYS  12  -8.732   4.136   4.425
   96   2HB   LYS  12           HB3      LYS  12  -7.443   5.032   5.215
   97   1HG   LYS  12           HG2      LYS  12  -9.079   6.631   4.921
   98   2HG   LYS  12           HG3      LYS  12  -8.016   6.907   3.536
   99   1HD   LYS  12           HD2      LYS  12  -9.570   5.236   2.345
  100   2HD   LYS  12           HD3      LYS  12 -10.713   5.617   3.624
  101   1HE   LYS  12           HE2      LYS  12  -9.807   8.097   2.757
  102   2HE   LYS  12           HE3      LYS  12  -9.946   7.159   1.273
  103   1HZ   LYS  12           HZ1      LYS  12 -12.202   6.955   3.099
  104   2HZ   LYS  12           HZ3      LYS  12 -11.968   8.487   2.395
  105   3HZ   LYS  12           HZ2      LYS  12 -12.183   7.119   1.404
  106    H    ALA  13           HN       ALA  13  -7.044   2.119   4.019
  107    HA   ALA  13           HA       ALA  13  -4.785   2.011   5.696
  108   1HB   ALA  13           HB1      ALA  13  -6.582   0.375   5.839
  109   2HB   ALA  13           HB2      ALA  13  -6.156  -0.260   4.252
  110   3HB   ALA  13           HB3      ALA  13  -5.032  -0.426   5.601
  111    H    PHE  14           HN       PHE  14  -5.141   1.227   2.250
  112    HA   PHE  14           HA       PHE  14  -2.659   0.059   1.758
  113   1HB   PHE  14           HB2      PHE  14  -4.605   0.214   0.140
  114   2HB   PHE  14           HB3      PHE  14  -4.110   1.857  -0.212
  115    HD1  PHE  14           HD1      PHE  14  -3.272  -1.694  -0.498
  116    HD2  PHE  14           HD2      PHE  14  -2.152   2.281  -1.559
  117    HE1  PHE  14           HE1      PHE  14  -1.707  -2.580  -2.174
  118    HE2  PHE  14           HE2      PHE  14  -0.580   1.392  -3.233
  119    HZ   PHE  14           HZ       PHE  14  -0.360  -1.039  -3.537
  120    H    LYS  15           HN       LYS  15  -3.555   3.516   1.452
  121    HA   LYS  15           HA       LYS  15  -1.021   4.469   0.731
  122   1HB   LYS  15           HB2      LYS  15  -3.398   5.774   1.990
  123   2HB   LYS  15           HB3      LYS  15  -1.887   6.661   1.847
  124   1HG   LYS  15           HG2      LYS  15  -2.384   7.164  -0.247
  125   2HG   LYS  15           HG3      LYS  15  -2.338   5.459  -0.656
  126   1HD   LYS  15           HD2      LYS  15  -4.498   5.487  -1.088
  127   2HD   LYS  15           HD3      LYS  15  -4.809   5.816   0.606
  128   1HE   LYS  15           HE2      LYS  15  -5.386   7.444  -1.634
  129   2HE   LYS  15           HE3      LYS  15  -5.722   7.780   0.063
  130   1HZ   LYS  15           HZ1      LYS  15  -3.377   8.674   0.175
  131   2HZ   LYS  15           HZ3      LYS  15  -3.351   8.592  -1.530
  132   3HZ   LYS  15           HZ2      LYS  15  -4.492   9.581  -0.739
  133    H    ALA  16           HN       ALA  16  -2.490   4.064   3.921
  134    HA   ALA  16           HA       ALA  16  -0.468   5.213   5.482
  135   1HB   ALA  16           HB1      ALA  16  -2.731   4.720   6.314
  136   2HB   ALA  16           HB2      ALA  16  -2.346   2.998   6.303
  137   3HB   ALA  16           HB3      ALA  16  -1.469   4.095   7.371
  138    H    LEU  17           HN       LEU  17  -0.951   1.791   4.549
  139    HA   LEU  17           HA       LEU  17   1.174   0.641   5.946
  140   1HB   LEU  17           HB2      LEU  17  -0.022  -0.097   3.269
  141   2HB   LEU  17           HB3      LEU  17   1.184  -1.077   4.072
  142    HG   LEU  17           HG       LEU  17  -1.672  -0.629   4.807
  143   1HD1  LEU  17          HD11      LEU  17   0.095  -3.055   4.574
  144   2HD1  LEU  17          HD12      LEU  17  -1.598  -3.088   5.067
  145   3HD1  LEU  17          HD13      LEU  17  -1.162  -2.544   3.446
  146   1HD2  LEU  17          HD23      LEU  17   0.545  -1.372   6.693
  147   2HD2  LEU  17          HD21      LEU  17  -0.674  -0.108   6.875
  148   3HD2  LEU  17          HD22      LEU  17  -1.140  -1.803   6.984
  149    H    LEU  18           HN       LEU  18   1.144   2.050   2.699
  150    HA   LEU  18           HA       LEU  18   3.887   1.560   2.110
  151   1HB   LEU  18           HB2      LEU  18   2.096   3.724   1.010
  152   2HB   LEU  18           HB3      LEU  18   3.610   3.189   0.310
  153    HG   LEU  18           HG       LEU  18   1.300   1.293   0.645
  154   1HD1  LEU  18          HD11      LEU  18   1.333   3.622  -0.981
  155   2HD1  LEU  18          HD12      LEU  18   1.472   2.207  -2.030
  156   3HD1  LEU  18          HD13      LEU  18   0.124   2.343  -0.903
  157   1HD2  LEU  18          HD21      LEU  18   3.552   0.378   0.174
  158   2HD2  LEU  18          HD22      LEU  18   2.395   0.076  -1.123
  159   3HD2  LEU  18          HD23      LEU  18   3.596   1.354  -1.302
  160    H    LYS  19           HN       LYS  19   2.233   4.565   3.080
  161    HA   LYS  19           HA       LYS  19   4.448   6.201   3.277
  162   1HB   LYS  19           HB2      LYS  19   1.781   6.280   4.672
  163   2HB   LYS  19           HB3      LYS  19   2.990   7.533   4.907
  164   1HG   LYS  19           HG2      LYS  19   2.999   7.999   2.505
  165   2HG   LYS  19           HG3      LYS  19   1.795   6.726   2.251
  166   1HD   LYS  19           HD2      LYS  19   0.906   9.098   2.315
  167   2HD   LYS  19           HD3      LYS  19   0.127   7.952   3.407
  168   1HE   LYS  19           HE2      LYS  19   0.611  10.217   4.379
  169   2HE   LYS  19           HE3      LYS  19   1.234   8.848   5.295
  170   1HZ   LYS  19           HZ3      LYS  19   3.005  10.151   3.351
  171   2HZ   LYS  19           HZ2      LYS  19   2.693  10.945   4.824
  172   3HZ   LYS  19           HZ1      LYS  19   3.385   9.394   4.826
  173    H    GLU  20           HN       GLU  20   3.371   3.823   5.616
  174    HA   GLU  20           HA       GLU  20   4.850   4.834   7.832
  175   1HB   GLU  20           HB2      GLU  20   3.621   2.151   7.215
  176   2HB   GLU  20           HB3      GLU  20   4.544   2.419   8.688
  177   1HG   GLU  20           HG2      GLU  20   2.278   4.245   7.987
  178   2HG   GLU  20           HG3      GLU  20   1.960   2.673   8.711
  179    H    GLU  21           HN       GLU  21   5.838   3.171   4.998
  180    HA   GLU  21           HA       GLU  21   7.824   2.383   4.250
  181   1HB   GLU  21           HB2      GLU  21   9.055   3.699   6.687
  182   2HB   GLU  21           HB3      GLU  21   9.892   3.207   5.221
  183   1HG   GLU  21           HG2      GLU  21   8.528   4.833   3.939
  184   2HG   GLU  21           HG3      GLU  21   7.806   5.374   5.448
  185    H    LYS  22           HN       LYS  22   7.025   0.272   4.635
  186    HA   LYS  22           HA       LYS  22   8.503  -1.223   6.706
  187   1HB   LYS  22           HB2      LYS  22   5.582  -0.877   6.407
  188   2HB   LYS  22           HB3      LYS  22   6.057  -2.563   6.469
  189   1HG   LYS  22           HG2      LYS  22   6.752  -0.510   8.544
  190   2HG   LYS  22           HG3      LYS  22   5.405  -1.640   8.630
  191   1HD   LYS  22           HD2      LYS  22   8.238  -2.593   8.277
  192   2HD   LYS  22           HD3      LYS  22   7.563  -2.275   9.873
  193   1HE   LYS  22           HE2      LYS  22   6.290  -4.141   7.869
  194   2HE   LYS  22           HE3      LYS  22   7.450  -4.670   9.085
  195   1HZ   LYS  22           HZ3      LYS  22   5.371  -3.115  10.259
  196   2HZ   LYS  22           HZ2      LYS  22   4.723  -4.430   9.394
  197   3HZ   LYS  22           HZ1      LYS  22   5.868  -4.704  10.627
  198    H    PHE  23           HN       PHE  23   6.275  -1.613   4.024
  199    HA   PHE  23           HA       PHE  23   7.214  -4.233   3.387
  200   1HB   PHE  23           HB2      PHE  23   5.247  -2.504   1.879
  201   2HB   PHE  23           HB3      PHE  23   5.345  -4.278   1.905
  202    HD1  PHE  23           HD2      PHE  23   4.769  -5.509   3.996
  203    HD2  PHE  23           HD1      PHE  23   4.191  -1.302   3.698
  204    HE1  PHE  23           HE2      PHE  23   3.359  -5.554   6.010
  205    HE2  PHE  23           HE1      PHE  23   2.792  -1.346   5.709
  206    HZ   PHE  23           HZ       PHE  23   2.361  -3.479   6.864
  207    H    SER  24           HN       SER  24   8.577  -4.853   1.902
  208    HA   SER  24           HA       SER  24   9.763  -2.861   0.122
  209   1HB   SER  24           HB2      SER  24  10.766  -5.152   1.600
  210   2HB   SER  24           HB3      SER  24  11.278  -5.203  -0.087
  211    HG   SER  24           HG       SER  24  12.150  -3.120   0.181
  212    H    SER  25           HN       SER  25   7.512  -5.395  -0.068
  213    HA   SER  25           HA       SER  25   7.640  -5.235  -2.987
  214   1HB   SER  25           HB2      SER  25   7.331  -7.712  -3.185
  215   2HB   SER  25           HB3      SER  25   8.910  -7.231  -2.577
  216    HG   SER  25           HG       SER  25   7.307  -8.939  -1.476
  217    H    GLN  26           HN       GLN  26   5.755  -5.842  -4.079
  218    HA   GLN  26           HA       GLN  26   3.320  -4.968  -2.938
  219   1HB   GLN  26           HB2      GLN  26   3.558  -6.668  -5.404
  220   2HB   GLN  26           HB3      GLN  26   2.361  -5.458  -5.045
  221   1HG   GLN  26           HG2      GLN  26   3.605  -4.134  -6.356
  222   2HG   GLN  26           HG3      GLN  26   4.668  -3.995  -4.964
  223   1HE2  GLN  26          HE22      GLN  26   5.985  -5.548  -8.359
  224   2HE2  GLN  26          HE21      GLN  26   4.486  -4.694  -8.165
  225    H    GLY  27           HN       GLY  27   4.857  -8.073  -2.875
  226   1HA   GLY  27           HA1      GLY  27   2.466  -9.615  -2.352
  227   2HA   GLY  27           HA2      GLY  27   4.126 -10.159  -2.179
  228    H    GLU  28           HN       GLU  28   5.109  -8.258  -0.386
  229    HA   GLU  28           HA       GLU  28   4.353  -9.291   2.097
  230   1HB   GLU  28           HB2      GLU  28   5.842  -6.766   1.355
  231   2HB   GLU  28           HB3      GLU  28   5.595  -7.259   3.023
  232   1HG   GLU  28           HG2      GLU  28   6.819  -9.304   2.651
  233   2HG   GLU  28           HG3      GLU  28   7.007  -8.915   0.946
  234    H    ILE  29           HN       ILE  29   3.317  -6.274   0.481
  235    HA   ILE  29           HA       ILE  29   1.715  -5.433   2.711
  236    HB   ILE  29           HB       ILE  29   2.081  -3.558   1.631
  237   1HG1  ILE  29          HG12      ILE  29  -0.134  -4.302  -0.252
  238   2HG1  ILE  29          HG13      ILE  29  -0.364  -3.738   1.405
  239   1HG2  ILE  29          HG21      ILE  29   2.414  -5.180  -0.852
  240   2HG2  ILE  29          HG22      ILE  29   2.376  -3.422  -0.918
  241   3HG2  ILE  29          HG23      ILE  29   3.616  -4.239   0.030
  242   1HD1  ILE  29          HD11      ILE  29   1.199  -1.769   0.552
  243   2HD1  ILE  29          HD12      ILE  29   0.499  -2.241  -0.999
  244   3HD1  ILE  29          HD13      ILE  29  -0.553  -1.753   0.331
  245    H    VAL  30           HN       VAL  30   1.136  -7.702   0.171
  246    HA   VAL  30           HA       VAL  30  -1.730  -7.671   0.187
  247    HB   VAL  30           HB       VAL  30   0.155  -9.972  -0.445
  248   1HG1  VAL  30          HG13      VAL  30  -2.105 -10.748   0.100
  249   2HG1  VAL  30          HG11      VAL  30  -2.758  -9.664  -1.123
  250   3HG1  VAL  30          HG12      VAL  30  -1.710 -10.996  -1.596
  251   1HG2  VAL  30          HG23      VAL  30  -0.152  -7.642  -1.848
  252   2HG2  VAL  30          HG21      VAL  30   0.419  -9.168  -2.510
  253   3HG2  VAL  30          HG22      VAL  30  -1.275  -8.724  -2.646
  254    H    ALA  31           HN       ALA  31   0.713  -9.682   1.799
  255    HA   ALA  31           HA       ALA  31  -1.031 -11.155   3.446
  256   1HB   ALA  31           HB3      ALA  31   1.325 -11.757   2.947
  257   2HB   ALA  31           HB1      ALA  31   1.856 -10.455   4.012
  258   3HB   ALA  31           HB2      ALA  31   0.945 -11.814   4.666
  259    H    ALA  32           HN       ALA  32   0.543  -8.030   3.917
  260    HA   ALA  32           HA       ALA  32   0.056  -7.674   6.656
  261   1HB   ALA  32           HB2      ALA  32   1.583  -6.310   5.209
  262   2HB   ALA  32           HB3      ALA  32   0.161  -5.455   4.619
  263   3HB   ALA  32           HB1      ALA  32   0.586  -5.383   6.329
  264    H    LEU  33           HN       LEU  33  -1.919  -6.639   3.849
  265    HA   LEU  33           HA       LEU  33  -3.944  -5.429   5.451
  266   1HB   LEU  33           HB2      LEU  33  -4.147  -6.392   2.597
  267   2HB   LEU  33           HB3      LEU  33  -5.291  -5.330   3.412
  268    HG   LEU  33           HG       LEU  33  -2.434  -4.473   3.263
  269   1HD1  LEU  33          HD13      LEU  33  -4.372  -4.257   0.975
  270   2HD1  LEU  33          HD11      LEU  33  -2.820  -3.439   1.082
  271   3HD1  LEU  33          HD12      LEU  33  -2.887  -5.199   0.988
  272   1HD2  LEU  33          HD23      LEU  33  -5.112  -3.105   3.272
  273   2HD2  LEU  33          HD21      LEU  33  -3.871  -3.073   4.522
  274   3HD2  LEU  33          HD22      LEU  33  -3.596  -2.257   2.986
  275    H    GLN  34           HN       GLN  34  -3.423  -8.705   4.273
  276    HA   GLN  34           HA       GLN  34  -6.009  -9.729   4.852
  277   1HB   GLN  34           HB2      GLN  34  -3.302 -11.031   4.641
  278   2HB   GLN  34           HB3      GLN  34  -4.727 -11.957   5.086
  279   1HG   GLN  34           HG2      GLN  34  -5.746 -11.625   3.013
  280   2HG   GLN  34           HG3      GLN  34  -4.679 -10.284   2.599
  281   1HE2  GLN  34          HE22      GLN  34  -3.417 -12.934   0.547
  282   2HE2  GLN  34          HE21      GLN  34  -4.713 -11.794   0.626
  283    H    GLU  35           HN       GLU  35  -3.118  -9.267   6.843
  284    HA   GLU  35           HA       GLU  35  -4.124 -10.492   9.223
  285   1HB   GLU  35           HB2      GLU  35  -1.977  -8.381   8.855
  286   2HB   GLU  35           HB3      GLU  35  -2.300  -9.227  10.361
  287   1HG   GLU  35           HG2      GLU  35  -1.524 -11.268   9.522
  288   2HG   GLU  35           HG3      GLU  35  -1.591 -10.713   7.853
  289    H    GLN  36           HN       GLN  36  -4.308  -7.240   7.864
  290    HA   GLN  36           HA       GLN  36  -5.272  -5.882  10.157
  291   1HB   GLN  36           HB2      GLN  36  -5.331  -5.279   7.213
  292   2HB   GLN  36           HB3      GLN  36  -6.131  -4.227   8.365
  293   1HG   GLN  36           HG2      GLN  36  -3.386  -4.874   9.121
  294   2HG   GLN  36           HG3      GLN  36  -3.505  -4.060   7.564
  295   1HE2  GLN  36          HE22      GLN  36  -3.703  -0.978   9.118
  296   2HE2  GLN  36          HE21      GLN  36  -3.069  -1.980   7.862
  297    H    GLY  37           HN       GLY  37  -7.026  -7.239   7.347
  298   1HA   GLY  37           HA1      GLY  37  -9.157  -8.382   8.464
  299   2HA   GLY  37           HA2      GLY  37  -9.584  -6.688   8.661
  300    H    PHE  38           HN       PHE  38  -7.855  -7.921   5.847
  301    HA   PHE  38           HA       PHE  38 -10.289  -7.427   4.219
  302   1HB   PHE  38           HB2      PHE  38  -7.417  -6.886   3.429
  303   2HB   PHE  38           HB3      PHE  38  -8.850  -6.570   2.451
  304    HD1  PHE  38           HD1      PHE  38 -10.435  -4.788   3.138
  305    HD2  PHE  38           HD2      PHE  38  -6.761  -5.404   5.180
  306    HE1  PHE  38           HE1      PHE  38 -10.630  -2.569   4.182
  307    HE2  PHE  38           HE2      PHE  38  -6.950  -3.205   6.222
  308    HZ   PHE  38           HZ       PHE  38  -8.874  -1.779   5.717
  309    H    ASP  39           HN       ASP  39 -11.038  -9.295   3.538
  310    HA   ASP  39           HA       ASP  39  -9.210 -11.521   2.952
  311   1HB   ASP  39           HB2      ASP  39 -12.145 -11.371   3.640
  312   2HB   ASP  39           HB3      ASP  39 -11.484 -12.816   2.889
  313    H    ASN  40           HN       ASN  40 -10.042  -9.155   1.167
  314    HA   ASN  40           HA       ASN  40 -10.483 -10.757  -1.253
  315   1HB   ASN  40           HB2      ASN  40 -12.582  -9.490  -0.570
  316   2HB   ASN  40           HB3      ASN  40 -11.688  -8.001  -0.842
  317   1HD2  ASN  40          HD22      ASN  40 -12.705 -10.336  -4.060
  318   2HD2  ASN  40          HD21      ASN  40 -12.426 -11.059  -2.512
  319    H    ILE  41           HN       ILE  41  -8.037 -10.473  -0.730
  320    HA   ILE  41           HA       ILE  41  -7.020  -8.309  -2.410
  321    HB   ILE  41           HB       ILE  41  -6.687  -8.476   0.511
  322   1HG1  ILE  41          HG12      ILE  41  -7.571  -6.566  -1.063
  323   2HG1  ILE  41          HG13      ILE  41  -6.658  -6.166   0.385
  324   1HG2  ILE  41          HG23      ILE  41  -4.245  -8.080  -1.196
  325   2HG2  ILE  41          HG21      ILE  41  -4.375  -7.507   0.463
  326   3HG2  ILE  41          HG22      ILE  41  -4.483  -9.232   0.121
  327   1HD1  ILE  41          HD11      ILE  41  -5.003  -6.557  -1.987
  328   2HD1  ILE  41          HD12      ILE  41  -6.145  -5.220  -2.105
  329   3HD1  ILE  41          HD13      ILE  41  -4.986  -5.276  -0.780
  330    H    ASN  42           HN       ASN  42  -5.345  -8.909  -3.615
  331    HA   ASN  42           HA       ASN  42  -3.659 -11.165  -2.885
  332   1HB   ASN  42           HB2      ASN  42  -3.861 -12.215  -5.140
  333   2HB   ASN  42           HB3      ASN  42  -5.333 -12.315  -4.187
  334   1HD2  ASN  42          HD22      ASN  42  -6.847 -11.429  -7.240
  335   2HD2  ASN  42          HD21      ASN  42  -6.416 -12.736  -6.195
  336    H    GLN  43           HN       GLN  43  -1.912 -11.385  -4.804
  337    HA   GLN  43           HA       GLN  43  -0.382  -9.061  -4.731
  338   1HB   GLN  43           HB2      GLN  43   0.284 -11.510  -5.328
  339   2HB   GLN  43           HB3      GLN  43  -0.051 -11.023  -6.982
  340   1HG   GLN  43           HG2      GLN  43   1.665  -9.419  -6.976
  341   2HG   GLN  43           HG3      GLN  43   1.819  -9.465  -5.223
  342   1HE2  GLN  43          HE22      GLN  43   3.561 -12.648  -5.288
  343   2HE2  GLN  43          HE21      GLN  43   2.241 -11.891  -4.468
  344    H    SER  44           HN       SER  44  -2.745 -10.053  -7.163
  345    HA   SER  44           HA       SER  44  -2.087  -8.088  -9.090
  346   1HB   SER  44           HB2      SER  44  -4.897  -9.091  -8.884
  347   2HB   SER  44           HB3      SER  44  -3.855  -8.927 -10.294
  348    HG   SER  44           HG       SER  44  -3.930 -11.063  -9.986
  349    H    LYS  45           HN       LYS  45  -4.453  -8.159  -6.442
  350    HA   LYS  45           HA       LYS  45  -5.705  -5.674  -6.944
  351   1HB   LYS  45           HB2      LYS  45  -6.183  -7.691  -5.219
  352   2HB   LYS  45           HB3      LYS  45  -5.374  -6.591  -4.120
  353   1HG   LYS  45           HG2      LYS  45  -7.569  -6.004  -3.811
  354   2HG   LYS  45           HG3      LYS  45  -7.097  -4.851  -5.060
  355   1HD   LYS  45           HD2      LYS  45  -7.966  -6.513  -6.755
  356   2HD   LYS  45           HD3      LYS  45  -8.632  -7.427  -5.397
  357   1HE   LYS  45           HE2      LYS  45 -10.137  -5.717  -4.835
  358   2HE   LYS  45           HE3      LYS  45  -9.270  -4.521  -5.803
  359   1HZ   LYS  45           HZ1      LYS  45  -9.893  -6.043  -7.765
  360   2HZ   LYS  45           HZ3      LYS  45 -11.071  -6.682  -6.705
  361   3HZ   LYS  45           HZ2      LYS  45 -11.089  -5.024  -7.108
  362    H    VAL  46           HN       VAL  46  -2.880  -6.559  -5.049
  363    HA   VAL  46           HA       VAL  46  -2.370  -3.953  -3.986
  364    HB   VAL  46           HB       VAL  46  -0.745  -6.481  -4.016
  365   1HG1  VAL  46          HG12      VAL  46  -0.125  -3.768  -2.911
  366   2HG1  VAL  46          HG13      VAL  46   0.490  -5.217  -2.130
  367   3HG1  VAL  46          HG11      VAL  46   0.918  -4.875  -3.801
  368   1HG2  VAL  46          HG22      VAL  46  -2.721  -5.201  -2.203
  369   2HG2  VAL  46          HG23      VAL  46  -2.418  -6.907  -2.513
  370   3HG2  VAL  46          HG21      VAL  46  -1.347  -5.999  -1.447
  371    H    SER  47           HN       SER  47  -0.904  -5.860  -6.660
  372    HA   SER  47           HA       SER  47   1.005  -3.874  -7.347
  373   1HB   SER  47           HB2      SER  47   1.140  -5.107  -9.539
  374   2HB   SER  47           HB3      SER  47   1.409  -6.087  -8.100
  375    HG   SER  47           HG       SER  47  -0.462  -7.097  -8.396
  376    H    ARG  48           HN       ARG  48  -2.366  -4.354  -8.226
  377    HA   ARG  48           HA       ARG  48  -2.460  -2.417 -10.330
  378   1HB   ARG  48           HB2      ARG  48  -4.524  -3.766  -8.615
  379   2HB   ARG  48           HB3      ARG  48  -4.989  -2.364  -9.565
  380   1HG   ARG  48           HG2      ARG  48  -4.159  -3.532 -11.600
  381   2HG   ARG  48           HG3      ARG  48  -3.876  -4.958 -10.606
  382   1HD   ARG  48           HD2      ARG  48  -6.017  -5.549 -10.689
  383   2HD   ARG  48           HD3      ARG  48  -6.536  -3.961 -10.138
  384    HE   ARG  48           HE       ARG  48  -6.902  -4.973 -12.690
  385   1HH1  ARG  48          HH12      ARG  48  -5.614  -2.049 -11.249
  386   2HH1  ARG  48          HH11      ARG  48  -6.039  -1.036 -12.592
  387   1HH2  ARG  48          HH22      ARG  48  -7.478  -3.636 -14.459
  388   2HH2  ARG  48          HH21      ARG  48  -7.102  -1.933 -14.417
  389    H    MET  49           HN       MET  49  -3.083  -2.294  -6.837
  390    HA   MET  49           HA       MET  49  -3.781   0.461  -6.768
  391   1HB   MET  49           HB2      MET  49  -3.023  -1.551  -4.668
  392   2HB   MET  49           HB3      MET  49  -3.234   0.143  -4.250
  393   1HG   MET  49           HG2      MET  49  -5.508   0.093  -5.107
  394   2HG   MET  49           HG3      MET  49  -5.311  -1.595  -5.563
  395   1HE   MET  49           HE2      MET  49  -7.562  -0.605  -4.268
  396   2HE   MET  49           HE3      MET  49  -7.792  -2.143  -3.433
  397   3HE   MET  49           HE1      MET  49  -7.724  -0.639  -2.511
  398    H    LEU  50           HN       LEU  50  -0.681  -1.244  -6.419
  399    HA   LEU  50           HA       LEU  50   0.872   0.957  -5.527
  400   1HB   LEU  50           HB2      LEU  50   1.500  -1.625  -6.910
  401   2HB   LEU  50           HB3      LEU  50   2.736  -0.386  -6.876
  402    HG   LEU  50           HG       LEU  50   1.707  -0.690  -4.217
  403   1HD1  LEU  50          HD12      LEU  50   1.982  -3.221  -5.690
  404   2HD1  LEU  50          HD13      LEU  50   2.822  -3.141  -4.147
  405   3HD1  LEU  50          HD11      LEU  50   1.098  -2.833  -4.223
  406   1HD2  LEU  50          HD21      LEU  50   4.283  -0.814  -5.626
  407   2HD2  LEU  50          HD22      LEU  50   3.827   0.004  -4.132
  408   3HD2  LEU  50          HD23      LEU  50   4.189  -1.715  -4.114
  409    H    THR  51           HN       THR  51  -0.012  -0.159  -8.768
  410    HA   THR  51           HA       THR  51   1.479   1.856 -10.159
  411    HB   THR  51           HB       THR  51  -0.842   0.283 -11.293
  412    HG1  THR  51           HG1      THR  51   0.427  -1.278 -10.369
  413   1HG2  THR  51          HG23      THR  51   0.237   2.010 -12.731
  414   2HG2  THR  51          HG22      THR  51   1.741   1.099 -12.604
  415   3HG2  THR  51          HG21      THR  51   0.327   0.368 -13.367
  416    H    LYS  52           HN       LYS  52  -1.854   1.549  -9.022
  417    HA   LYS  52           HA       LYS  52  -2.890   3.840 -10.378
  418   1HB   LYS  52           HB2      LYS  52  -4.357   2.048  -9.600
  419   2HB   LYS  52           HB3      LYS  52  -3.910   2.366  -7.933
  420   1HG   LYS  52           HG2      LYS  52  -4.984   4.717  -9.294
  421   2HG   LYS  52           HG3      LYS  52  -6.112   3.362  -9.243
  422   1HD   LYS  52           HD2      LYS  52  -6.213   3.351  -6.930
  423   2HD   LYS  52           HD3      LYS  52  -4.639   4.123  -6.753
  424   1HE   LYS  52           HE2      LYS  52  -6.039   5.846  -6.161
  425   2HE   LYS  52           HE3      LYS  52  -5.816   6.168  -7.877
  426   1HZ   LYS  52           HZ1      LYS  52  -7.987   4.478  -7.743
  427   2HZ   LYS  52           HZ3      LYS  52  -8.198   5.547  -6.436
  428   3HZ   LYS  52           HZ2      LYS  52  -8.021   6.160  -8.017
  429    H    PHE  53           HN       PHE  53  -1.888   3.334  -6.979
  430    HA   PHE  53           HA       PHE  53  -2.273   6.094  -6.280
  431   1HB   PHE  53           HB2      PHE  53  -0.998   3.767  -4.823
  432   2HB   PHE  53           HB3      PHE  53  -1.108   5.380  -4.129
  433    HD1  PHE  53           HD1      PHE  53  -3.650   6.383  -4.456
  434    HD2  PHE  53           HD2      PHE  53  -2.546   2.294  -4.089
  435    HE1  PHE  53           HE1      PHE  53  -5.909   5.846  -3.649
  436    HE2  PHE  53           HE2      PHE  53  -4.795   1.749  -3.277
  437    HZ   PHE  53           HZ       PHE  53  -6.479   3.518  -3.065
  438    H    GLY  54           HN       GLY  54   0.423   4.240  -7.508
  439   1HA   GLY  54           HA1      GLY  54   2.417   5.053  -8.385
  440   2HA   GLY  54           HA2      GLY  54   1.971   6.663  -7.845
  441    H    ALA  55           HN       ALA  55   2.920   3.504  -6.523
  442    HA   ALA  55           HA       ALA  55   3.969   4.665  -4.102
  443   1HB   ALA  55           HB1      ALA  55   4.059   1.850  -5.176
  444   2HB   ALA  55           HB2      ALA  55   4.637   2.335  -3.579
  445   3HB   ALA  55           HB3      ALA  55   2.929   2.501  -3.989
  446    H    VAL  56           HN       VAL  56   5.968   5.325  -3.726
  447    HA   VAL  56           HA       VAL  56   8.098   4.816  -5.699
  448    HB   VAL  56           HB       VAL  56   9.317   6.662  -4.449
  449   1HG1  VAL  56          HG11      VAL  56   7.956   6.879  -6.607
  450   2HG1  VAL  56          HG12      VAL  56   6.722   7.635  -5.599
  451   3HG1  VAL  56          HG13      VAL  56   8.326   8.359  -5.718
  452   1HG2  VAL  56          HG23      VAL  56   7.970   6.558  -2.369
  453   2HG2  VAL  56          HG21      VAL  56   8.032   8.176  -3.059
  454   3HG2  VAL  56          HG22      VAL  56   6.588   7.188  -3.262
  455    H    ARG  57           HN       ARG  57  10.374   4.734  -4.500
  456    HA   ARG  57           HA       ARG  57  10.118   2.956  -2.153
  457   1HB   ARG  57           HB2      ARG  57  11.730   2.554  -4.651
  458   2HB   ARG  57           HB3      ARG  57  12.259   1.835  -3.141
  459   1HG   ARG  57           HG2      ARG  57   9.547   1.197  -3.345
  460   2HG   ARG  57           HG3      ARG  57  10.197   0.970  -4.967
  461   1HD   ARG  57           HD2      ARG  57  11.745  -0.127  -2.666
  462   2HD   ARG  57           HD3      ARG  57  10.249  -0.944  -3.124
  463    HE   ARG  57           HE       ARG  57  11.826  -0.510  -5.428
  464   1HH1  ARG  57          HH12      ARG  57  11.751  -2.480  -2.535
  465   2HH1  ARG  57          HH11      ARG  57  12.603  -3.813  -3.259
  466   1HH2  ARG  57          HH22      ARG  57  12.932  -2.216  -6.387
  467   2HH2  ARG  57          HH21      ARG  57  13.281  -3.663  -5.475
  468    H    THR  58           HN       THR  58  11.723   3.049  -0.606
  469    HA   THR  58           HA       THR  58  13.993   4.823  -0.913
  470    HB   THR  58           HB       THR  58  12.138   6.399  -0.396
  471    HG1  THR  58           HG1      THR  58  13.375   7.569   0.869
  472   1HG2  THR  58          HG22      THR  58  11.948   4.954   2.236
  473   2HG2  THR  58          HG21      THR  58  11.199   6.500   1.851
  474   3HG2  THR  58          HG23      THR  58  10.705   5.045   0.991
  475    H    ARG  59           HN       ARG  59  15.317   4.898   1.122
  476    HA   ARG  59           HA       ARG  59  15.644   2.260   2.183
  477   1HB   ARG  59           HB2      ARG  59  17.136   4.762   2.143
  478   2HB   ARG  59           HB3      ARG  59  17.205   4.013   3.729
  479   1HG   ARG  59           HG2      ARG  59  17.888   1.880   2.514
  480   2HG   ARG  59           HG3      ARG  59  18.136   2.902   1.099
  481   1HD   ARG  59           HD2      ARG  59  19.446   3.353   3.786
  482   2HD   ARG  59           HD3      ARG  59  20.204   2.506   2.434
  483    HE   ARG  59           HE       ARG  59  19.297   5.046   1.565
  484   1HH1  ARG  59          HH12      ARG  59  21.793   3.614   3.559
  485   2HH1  ARG  59          HH11      ARG  59  22.925   4.909   3.289
  486   1HH2  ARG  59          HH22      ARG  59  20.768   6.740   1.216
  487   2HH2  ARG  59          HH21      ARG  59  22.337   6.695   1.966
  488    H    ASN  60           HN       ASN  60  14.812   1.410   4.003
  489    HA   ASN  60           HA       ASN  60  13.063   3.020   5.657
  490   1HB   ASN  60           HB2      ASN  60  12.194   1.017   6.519
  491   2HB   ASN  60           HB3      ASN  60  12.568   0.639   4.848
  492   1HD2  ASN  60          HD22      ASN  60  13.704  -2.068   7.197
  493   2HD2  ASN  60          HD21      ASN  60  12.225  -1.186   7.057
  494    H    ALA  61           HN       ALA  61  13.459   1.469   8.095
  495    HA   ALA  61           HA       ALA  61  15.348   3.143   9.387
  496   1HB   ALA  61           HB2      ALA  61  13.304   2.194  10.446
  497   2HB   ALA  61           HB3      ALA  61  14.107   0.624  10.484
  498   3HB   ALA  61           HB1      ALA  61  14.775   1.980  11.394
  499    H    LYS  62           HN       LYS  62  15.724   0.073   7.799
  500    HA   LYS  62           HA       LYS  62  18.466  -0.120   8.863
  501   1HB   LYS  62           HB2      LYS  62  16.521  -2.406   8.503
  502   2HB   LYS  62           HB3      LYS  62  18.244  -2.597   8.798
  503   1HG   LYS  62           HG2      LYS  62  17.953  -1.324  10.929
  504   2HG   LYS  62           HG3      LYS  62  16.211  -1.370  10.652
  505   1HD   LYS  62           HD2      LYS  62  17.006  -4.014  10.324
  506   2HD   LYS  62           HD3      LYS  62  17.990  -3.441  11.673
  507   1HE   LYS  62           HE2      LYS  62  14.997  -3.083  11.533
  508   2HE   LYS  62           HE3      LYS  62  15.773  -4.463  12.302
  509   1HZ   LYS  62           HZ2      LYS  62  16.875  -1.992  13.220
  510   2HZ   LYS  62           HZ1      LYS  62  15.196  -2.057  13.478
  511   3HZ   LYS  62           HZ3      LYS  62  16.205  -3.279  14.104
  512    H    MET  63           HN       MET  63  18.036   1.134   6.490
  513    HA   MET  63           HA       MET  63  18.923   1.245   4.411
  514   1HB   MET  63           HB2      MET  63  20.262  -1.424   4.746
  515   2HB   MET  63           HB3      MET  63  20.852   0.019   3.949
  516   1HG   MET  63           HG2      MET  63  20.783   1.002   6.383
  517   2HG   MET  63           HG3      MET  63  20.890  -0.699   6.811
  518   1HE   MET  63           HE1      MET  63  22.416  -2.224   5.263
  519   2HE   MET  63           HE2      MET  63  24.134  -1.854   5.105
  520   3HE   MET  63           HE3      MET  63  23.422  -2.059   6.705
  521    H    GLU  64           HN       GLU  64  16.550  -0.962   4.988
  522    HA   GLU  64           HA       GLU  64  16.716  -2.419   2.477
  523   1HB   GLU  64           HB2      GLU  64  14.501  -2.330   4.539
  524   2HB   GLU  64           HB3      GLU  64  14.520  -3.372   3.126
  525   1HG   GLU  64           HG2      GLU  64  16.928  -3.943   4.321
  526   2HG   GLU  64           HG3      GLU  64  15.875  -3.659   5.702
  527    H    MET  65           HN       MET  65  15.791  -1.855   0.599
  528    HA   MET  65           HA       MET  65  14.589   0.744   0.325
  529   1HB   MET  65           HB2      MET  65  14.944  -1.453  -1.730
  530   2HB   MET  65           HB3      MET  65  14.492   0.210  -2.072
  531   1HG   MET  65           HG2      MET  65  16.684   0.886  -0.998
  532   2HG   MET  65           HG3      MET  65  17.117  -0.821  -1.040
  533   1HE   MET  65           HE1      MET  65  15.788   2.105  -2.937
  534   2HE   MET  65           HE2      MET  65  16.582   2.063  -4.513
  535   3HE   MET  65           HE3      MET  65  15.150   1.078  -4.224
  536    H    VAL  66           HN       VAL  66  12.635   0.676   1.485
  537    HA   VAL  66           HA       VAL  66  10.614  -1.252   0.628
  538    HB   VAL  66           HB       VAL  66   9.265  -0.462   2.545
  539   1HG1  VAL  66          HG13      VAL  66  12.052  -1.422   3.196
  540   2HG1  VAL  66          HG11      VAL  66  10.668  -1.501   4.284
  541   3HG1  VAL  66          HG12      VAL  66  10.662  -2.430   2.779
  542   1HG2  VAL  66          HG22      VAL  66  11.666   1.289   3.036
  543   2HG2  VAL  66          HG23      VAL  66   9.980   1.768   2.870
  544   3HG2  VAL  66          HG21      VAL  66  10.501   0.879   4.295
  545    H    TYR  67           HN       TYR  67   8.408  -0.529   0.386
  546    HA   TYR  67           HA       TYR  67   8.178   1.586  -1.522
  547   1HB   TYR  67           HB2      TYR  67   6.295  -0.446  -0.359
  548   2HB   TYR  67           HB3      TYR  67   5.645   0.928  -1.240
  549    HD1  TYR  67           HD1      TYR  67   7.280   1.320  -3.516
  550    HD2  TYR  67           HD2      TYR  67   6.200  -2.353  -1.664
  551    HE1  TYR  67           HE1      TYR  67   7.622   0.163  -5.649
  552    HE2  TYR  67           HE2      TYR  67   6.525  -3.529  -3.798
  553    HH   TYR  67           HH       TYR  67   6.676  -2.070  -6.716
  554    H    CYS  68           HN       CYS  68   7.125   3.500  -1.347
  555    HA   CYS  68           HA       CYS  68   5.808   4.297   1.129
  556   1HB   CYS  68           HB2      CYS  68   8.296   4.886   1.298
  557   2HB   CYS  68           HB3      CYS  68   8.016   6.037   0.002
  558    HG   CYS  68           HG       CYS  68   7.814   6.965   2.586
  559    H    LEU  69           HN       LEU  69   5.120   6.712   0.777
  560    HA   LEU  69           HA       LEU  69   4.037   6.956  -1.961
  561   1HB   LEU  69           HB2      LEU  69   2.527   6.372   0.200
  562   2HB   LEU  69           HB3      LEU  69   2.488   8.122   0.282
  563    HG   LEU  69           HG       LEU  69   1.547   8.232  -1.971
  564   1HD1  LEU  69          HD11      LEU  69   2.377   5.435  -2.036
  565   2HD1  LEU  69          HD12      LEU  69   0.722   5.679  -2.586
  566   3HD1  LEU  69          HD13      LEU  69   2.042   6.554  -3.358
  567   1HD2  LEU  69          HD22      LEU  69   0.201   6.516   0.079
  568   2HD2  LEU  69          HD23      LEU  69  -0.121   8.193  -0.362
  569   3HD2  LEU  69          HD21      LEU  69  -0.594   6.890  -1.450
  570    HA   PRO  70           HA       PRO  70   5.852  11.056  -1.940
  571   1HB   PRO  70           HB2      PRO  70   3.680  11.863  -3.774
  572   2HB   PRO  70           HB3      PRO  70   5.423  11.827  -4.045
  573   1HG   PRO  70           HG2      PRO  70   3.783  10.068  -5.228
  574   2HG   PRO  70           HG3      PRO  70   5.402   9.595  -4.678
  575   1HD   PRO  70           HD2      PRO  70   2.740   9.139  -3.356
  576   2HD   PRO  70           HD3      PRO  70   4.095   8.012  -3.584
  577    H    ALA  71           HN       ALA  71   4.438  13.406  -2.368
  578    HA   ALA  71           HA       ALA  71   3.469  14.089   0.180
  579   1HB   ALA  71           HB3      ALA  71   4.361  15.723  -1.426
  580   2HB   ALA  71           HB1      ALA  71   2.934  15.496  -2.442
  581   3HB   ALA  71           HB2      ALA  71   2.771  16.195  -0.826
  582    H    GLU  72           HN       GLU  72   1.437  14.229   1.061
  583    HA   GLU  72           HA       GLU  72  -0.498  12.399   0.487
  584   1HB   GLU  72           HB2      GLU  72  -0.262  13.881   2.552
  585   2HB   GLU  72           HB3      GLU  72  -1.189  15.089   1.676
  586   1HG   GLU  72           HG2      GLU  72  -2.865  14.073   2.839
  587   2HG   GLU  72           HG3      GLU  72  -2.889  13.096   1.374
  588    H    LEU  73           HN       LEU  73  -1.387  12.092  -1.435
  589    HA   LEU  73           HA       LEU  73  -2.144  14.267  -3.173
  590   1HB   LEU  73           HB2      LEU  73  -1.085  12.013  -3.840
  591   2HB   LEU  73           HB3      LEU  73  -2.685  11.329  -3.624
  592    HG   LEU  73           HG       LEU  73  -3.568  12.461  -5.477
  593   1HD1  LEU  73          HD13      LEU  73  -1.201  14.304  -5.257
  594   2HD1  LEU  73          HD11      LEU  73  -2.207  14.220  -6.703
  595   3HD1  LEU  73          HD12      LEU  73  -2.918  14.703  -5.164
  596   1HD2  LEU  73          HD23      LEU  73  -1.477  10.787  -5.804
  597   2HD2  LEU  73          HD21      LEU  73  -2.431  11.452  -7.131
  598   3HD2  LEU  73          HD22      LEU  73  -0.898  12.204  -6.683
  599    H    GLY  74           HN       GLY  74  -3.630  14.544  -0.929
  600   1HA   GLY  74           HA1      GLY  74  -6.345  13.587  -1.652
  601   2HA   GLY  74           HA2      GLY  74  -5.836  14.019  -0.027
  602    H    VAL  75           HN       VAL  75  -5.325  15.714  -3.099
  603    HA   VAL  75           HA       VAL  75  -6.859  18.011  -2.050
  604    HB   VAL  75           HB       VAL  75  -5.294  19.504  -3.283
  605   1HG1  VAL  75          HG21      VAL  75  -4.986  19.128  -0.898
  606   2HG1  VAL  75          HG22      VAL  75  -3.982  17.714  -1.236
  607   3HG1  VAL  75          HG23      VAL  75  -3.430  19.322  -1.707
  608   1HG2  VAL  75          HG13      VAL  75  -3.806  16.934  -3.797
  609   2HG2  VAL  75          HG11      VAL  75  -4.398  18.104  -4.978
  610   3HG2  VAL  75          HG12      VAL  75  -3.059  18.527  -3.911
  611    HA   PRO  76           HA       PRO  76  -9.188  18.047  -5.835
  612   1HB   PRO  76           HB2      PRO  76  -8.858  20.949  -6.179
  613   2HB   PRO  76           HB3      PRO  76 -10.310  20.020  -5.806
  614   1HG   PRO  76           HG2      PRO  76  -9.118  21.620  -3.994
  615   2HG   PRO  76           HG3      PRO  76  -9.952  20.127  -3.532
  616   1HD   PRO  76           HD2      PRO  76  -7.017  20.640  -3.856
  617   2HD   PRO  76           HD3      PRO  76  -7.868  19.724  -2.595
  618    H    THR  77           HN       THR  77  -8.217  17.138  -7.568
  619    HA   THR  77           HA       THR  77  -6.726  18.797  -9.403
  620    HB   THR  77           HB       THR  77  -5.015  17.959  -7.701
  621    HG1  THR  77           HG1      THR  77  -4.264  18.603  -9.684
  622   1HG2  THR  77          HG22      THR  77  -5.979  15.621  -7.507
  623   2HG2  THR  77          HG21      THR  77  -5.208  15.285  -9.057
  624   3HG2  THR  77          HG23      THR  77  -4.228  15.756  -7.669
  625    H    THR  78           HN       THR  78  -5.993  17.384 -11.335
  626    HA   THR  78           HA       THR  78  -8.005  15.295 -11.889
  627    HB   THR  78           HB       THR  78  -7.895  16.186 -14.300
  628    HG1  THR  78           HG1      THR  78  -6.152  17.564 -14.160
  629   1HG2  THR  78          HG22      THR  78  -9.804  16.582 -12.692
  630   2HG2  THR  78          HG21      THR  78  -9.085  18.161 -12.377
  631   3HG2  THR  78          HG23      THR  78  -9.624  17.746 -14.004
   
  No H/Q in entry =         631
  Start of MODEL    5
    1   1H    MET   1           HT1      MET   1 -26.157   6.267  10.454
    2   2H    MET   1           HT3      MET   1 -25.346   5.999  11.950
    3   3H    MET   1           HT2      MET   1 -24.835   7.271  10.908
    4    HA   MET   1           HA       MET   1 -23.530   5.975   9.810
    5   1HB   MET   1           HB2      MET   1 -24.399   4.215  12.079
    6   2HB   MET   1           HB3      MET   1 -23.330   3.550  10.851
    7   1HG   MET   1           HG2      MET   1 -21.749   5.411  11.286
    8   2HG   MET   1           HG3      MET   1 -22.789   5.944  12.601
    9   1HE   MET   1           HE1      MET   1 -22.737   5.039  14.954
   10   2HE   MET   1           HE2      MET   1 -23.682   3.692  14.314
   11   3HE   MET   1           HE3      MET   1 -22.301   3.378  15.366
   12    H    ARG   2           HN       ARG   2 -23.362   4.526   8.086
   13    HA   ARG   2           HA       ARG   2 -25.729   2.942   7.366
   14   1HB   ARG   2           HB2      ARG   2 -24.574   5.245   5.816
   15   2HB   ARG   2           HB3      ARG   2 -25.278   3.898   4.935
   16   1HG   ARG   2           HG2      ARG   2 -26.669   5.678   6.931
   17   2HG   ARG   2           HG3      ARG   2 -26.914   5.630   5.182
   18   1HD   ARG   2           HD2      ARG   2 -27.790   3.690   7.274
   19   2HD   ARG   2           HD3      ARG   2 -28.709   4.396   5.946
   20    HE   ARG   2           HE       ARG   2 -26.849   2.855   4.688
   21   1HH1  ARG   2          HH12      ARG   2 -29.247   2.230   7.163
   22   2HH1  ARG   2          HH11      ARG   2 -29.477   0.568   6.690
   23   1HH2  ARG   2          HH22      ARG   2 -27.130   0.715   4.074
   24   2HH2  ARG   2          HH21      ARG   2 -28.259  -0.303   4.929
   25    H    SER   3           HN       SER   3 -24.331   1.197   7.978
   26    HA   SER   3           HA       SER   3 -23.050  -0.606   7.503
   27   1HB   SER   3           HB2      SER   3 -22.754   0.463   4.681
   28   2HB   SER   3           HB3      SER   3 -22.599  -1.203   5.224
   29    HG   SER   3           HG       SER   3 -24.753  -1.365   5.474
   30    H    SER   4           HN       SER   4 -21.365   0.028   8.905
   31    HA   SER   4           HA       SER   4 -19.180   1.644   7.931
   32   1HB   SER   4           HB2      SER   4 -19.498   0.027  10.476
   33   2HB   SER   4           HB3      SER   4 -18.118   1.071  10.120
   34    HG   SER   4           HG       SER   4 -19.782   2.082  11.403
   35    H    ALA   5           HN       ALA   5 -19.123   0.036   6.029
   36    HA   ALA   5           HA       ALA   5 -16.740  -1.579   6.329
   37   1HB   ALA   5           HB1      ALA   5 -19.357  -2.859   5.530
   38   2HB   ALA   5           HB2      ALA   5 -17.771  -3.609   5.330
   39   3HB   ALA   5           HB3      ALA   5 -18.375  -3.238   6.946
   40    H    LYS   6           HN       LYS   6 -16.578   0.576   5.016
   41    HA   LYS   6           HA       LYS   6 -17.413   0.372   2.231
   42   1HB   LYS   6           HB2      LYS   6 -15.600   2.456   3.427
   43   2HB   LYS   6           HB3      LYS   6 -16.551   2.558   1.952
   44   1HG   LYS   6           HG2      LYS   6 -17.602   2.547   4.773
   45   2HG   LYS   6           HG3      LYS   6 -17.540   3.900   3.656
   46   1HD   LYS   6           HD2      LYS   6 -19.072   2.690   2.135
   47   2HD   LYS   6           HD3      LYS   6 -19.213   1.415   3.347
   48   1HE   LYS   6           HE2      LYS   6 -21.102   2.933   3.511
   49   2HE   LYS   6           HE3      LYS   6 -20.099   3.046   4.955
   50   1HZ   LYS   6           HZ3      LYS   6 -20.006   4.956   2.674
   51   2HZ   LYS   6           HZ2      LYS   6 -20.834   5.213   4.148
   52   3HZ   LYS   6           HZ1      LYS   6 -19.136   5.081   4.136
   53    H    GLN   7           HN       GLN   7 -15.848   0.345   0.476
   54    HA   GLN   7           HA       GLN   7 -13.486  -1.225   1.085
   55   1HB   GLN   7           HB2      GLN   7 -14.938  -1.484  -1.011
   56   2HB   GLN   7           HB3      GLN   7 -14.111  -0.054  -1.619
   57   1HG   GLN   7           HG2      GLN   7 -12.589  -1.483  -2.417
   58   2HG   GLN   7           HG3      GLN   7 -12.025  -1.591  -0.752
   59   1HE2  GLN   7          HE22      GLN   7 -13.155  -4.874  -0.237
   60   2HE2  GLN   7          HE21      GLN   7 -12.619  -3.410   0.514
   61    H    GLU   8           HN       GLU   8 -14.182   2.041   1.147
   62    HA   GLU   8           HA       GLU   8 -11.705   3.146   0.242
   63   1HB   GLU   8           HB2      GLU   8 -13.394   4.474   2.352
   64   2HB   GLU   8           HB3      GLU   8 -12.495   5.199   1.026
   65   1HG   GLU   8           HG2      GLU   8 -15.010   3.570   0.696
   66   2HG   GLU   8           HG3      GLU   8 -14.951   5.323   0.772
   67    H    GLU   9           HN       GLU   9 -12.299   1.070   2.675
   68    HA   GLU   9           HA       GLU   9 -10.517   2.199   4.702
   69   1HB   GLU   9           HB2      GLU   9 -12.073  -0.406   4.641
   70   2HB   GLU   9           HB3      GLU   9 -11.094   0.157   5.993
   71   1HG   GLU   9           HG2      GLU   9 -12.552   1.942   6.454
   72   2HG   GLU   9           HG3      GLU   9 -13.379   1.782   4.908
   73    H    LEU  10           HN       LEU  10 -10.717  -0.353   2.305
   74    HA   LEU  10           HA       LEU  10  -8.187  -1.579   2.820
   75   1HB   LEU  10           HB2      LEU  10  -9.742  -2.870   1.599
   76   2HB   LEU  10           HB3      LEU  10 -10.090  -1.564   0.485
   77    HG   LEU  10           HG       LEU  10  -7.817  -1.849  -0.505
   78   1HD1  LEU  10          HD13      LEU  10  -7.624  -3.892   1.638
   79   2HD1  LEU  10          HD11      LEU  10  -6.880  -4.249   0.079
   80   3HD1  LEU  10          HD12      LEU  10  -6.394  -2.814   0.979
   81   1HD2  LEU  10          HD23      LEU  10  -9.756  -2.895  -1.531
   82   2HD2  LEU  10          HD21      LEU  10  -8.326  -3.909  -1.704
   83   3HD2  LEU  10          HD22      LEU  10  -9.553  -4.314  -0.503
   84    H    VAL  11           HN       VAL  11  -9.322   1.127   0.858
   85    HA   VAL  11           HA       VAL  11  -6.842   1.621  -0.490
   86    HB   VAL  11           HB       VAL  11  -9.241   3.401   0.012
   87   1HG1  VAL  11          HG13      VAL  11  -6.605   4.041  -1.207
   88   2HG1  VAL  11          HG11      VAL  11  -8.049   4.660  -2.013
   89   3HG1  VAL  11          HG12      VAL  11  -7.736   5.071  -0.327
   90   1HG2  VAL  11          HG23      VAL  11  -8.577   1.401  -1.984
   91   2HG2  VAL  11          HG21      VAL  11 -10.117   2.184  -1.637
   92   3HG2  VAL  11          HG22      VAL  11  -8.955   2.961  -2.711
   93    H    LYS  12           HN       LYS  12  -8.461   3.368   2.209
   94    HA   LYS  12           HA       LYS  12  -6.371   5.040   2.930
   95   1HB   LYS  12           HB2      LYS  12  -8.359   5.608   3.928
   96   2HB   LYS  12           HB3      LYS  12  -8.740   3.954   4.373
   97   1HG   LYS  12           HG2      LYS  12  -6.431   5.251   5.722
   98   2HG   LYS  12           HG3      LYS  12  -8.060   5.761   6.167
   99   1HD   LYS  12           HD2      LYS  12  -8.635   3.699   7.005
  100   2HD   LYS  12           HD3      LYS  12  -7.477   2.860   5.977
  101   1HE   LYS  12           HE2      LYS  12  -6.913   2.879   8.425
  102   2HE   LYS  12           HE3      LYS  12  -5.648   3.493   7.362
  103   1HZ   LYS  12           HZ2      LYS  12  -7.524   5.466   8.407
  104   2HZ   LYS  12           HZ1      LYS  12  -6.465   4.760   9.541
  105   3HZ   LYS  12           HZ3      LYS  12  -5.834   5.567   8.179
  106    H    ALA  13           HN       ALA  13  -6.889   1.683   3.870
  107    HA   ALA  13           HA       ALA  13  -4.756   1.509   5.753
  108   1HB   ALA  13           HB3      ALA  13  -6.141  -0.617   4.122
  109   2HB   ALA  13           HB1      ALA  13  -4.929  -0.950   5.357
  110   3HB   ALA  13           HB2      ALA  13  -6.449  -0.177   5.801
  111    H    PHE  14           HN       PHE  14  -5.031   0.766   2.293
  112    HA   PHE  14           HA       PHE  14  -2.489  -0.188   1.745
  113   1HB   PHE  14           HB2      PHE  14  -4.517  -0.003   0.179
  114   2HB   PHE  14           HB3      PHE  14  -3.994   1.639  -0.148
  115    HD1  PHE  14           HD2      PHE  14  -3.206  -1.912  -0.518
  116    HD2  PHE  14           HD1      PHE  14  -2.039   2.062  -1.477
  117    HE1  PHE  14           HE2      PHE  14  -1.659  -2.776  -2.217
  118    HE2  PHE  14           HE1      PHE  14  -0.491   1.200  -3.185
  119    HZ   PHE  14           HZ       PHE  14  -0.308  -1.217  -3.543
  120    H    LYS  15           HN       LYS  15  -3.570   3.220   1.471
  121    HA   LYS  15           HA       LYS  15  -1.139   4.372   0.811
  122   1HB   LYS  15           HB2      LYS  15  -3.078   5.769   2.673
  123   2HB   LYS  15           HB3      LYS  15  -2.100   6.471   1.393
  124   1HG   LYS  15           HG2      LYS  15  -4.280   4.544   0.735
  125   2HG   LYS  15           HG3      LYS  15  -4.669   6.205   1.119
  126   1HD   LYS  15           HD2      LYS  15  -2.601   6.411  -0.718
  127   2HD   LYS  15           HD3      LYS  15  -3.525   5.023  -1.292
  128   1HE   LYS  15           HE2      LYS  15  -4.250   7.190  -2.300
  129   2HE   LYS  15           HE3      LYS  15  -5.533   6.339  -1.433
  130   1HZ   LYS  15           HZ1      LYS  15  -3.932   8.492  -0.163
  131   2HZ   LYS  15           HZ3      LYS  15  -5.357   8.807  -1.033
  132   3HZ   LYS  15           HZ2      LYS  15  -5.415   7.838   0.359
  133    H    ALA  16           HN       ALA  16  -2.499   3.842   4.059
  134    HA   ALA  16           HA       ALA  16  -0.459   5.031   5.567
  135   1HB   ALA  16           HB3      ALA  16  -2.676   4.471   6.471
  136   2HB   ALA  16           HB1      ALA  16  -2.268   2.756   6.393
  137   3HB   ALA  16           HB2      ALA  16  -1.373   3.828   7.472
  138    H    LEU  17           HN       LEU  17  -0.899   1.587   4.692
  139    HA   LEU  17           HA       LEU  17   1.290   0.495   5.993
  140   1HB   LEU  17           HB2      LEU  17   0.047  -0.253   3.344
  141   2HB   LEU  17           HB3      LEU  17   1.269  -1.228   4.129
  142    HG   LEU  17           HG       LEU  17  -1.571  -0.772   4.925
  143   1HD1  LEU  17          HD11      LEU  17   0.172  -3.205   4.666
  144   2HD1  LEU  17          HD12      LEU  17  -1.508  -3.216   5.196
  145   3HD1  LEU  17          HD13      LEU  17  -1.104  -2.689   3.563
  146   1HD2  LEU  17          HD23      LEU  17   0.680  -1.507   6.768
  147   2HD2  LEU  17          HD21      LEU  17  -0.573  -0.287   6.993
  148   3HD2  LEU  17          HD22      LEU  17  -0.983  -1.999   7.076
  149    H    LEU  18           HN       LEU  18   1.176   1.959   2.759
  150    HA   LEU  18           HA       LEU  18   3.926   1.462   2.141
  151   1HB   LEU  18           HB2      LEU  18   2.107   3.585   1.004
  152   2HB   LEU  18           HB3      LEU  18   3.609   3.022   0.299
  153    HG   LEU  18           HG       LEU  18   1.312   1.134   0.732
  154   1HD1  LEU  18          HD12      LEU  18   1.508   3.355  -1.155
  155   2HD1  LEU  18          HD13      LEU  18   1.162   1.795  -1.899
  156   3HD1  LEU  18          HD11      LEU  18   0.107   2.428  -0.636
  157   1HD2  LEU  18          HD23      LEU  18   3.539   0.209   0.205
  158   2HD2  LEU  18          HD21      LEU  18   2.352  -0.098  -1.063
  159   3HD2  LEU  18          HD22      LEU  18   3.550   1.173  -1.276
  160    H    LYS  19           HN       LYS  19   2.208   4.405   3.182
  161    HA   LYS  19           HA       LYS  19   4.422   6.099   3.259
  162   1HB   LYS  19           HB2      LYS  19   1.803   6.210   4.755
  163   2HB   LYS  19           HB3      LYS  19   2.992   7.508   4.791
  164   1HG   LYS  19           HG2      LYS  19   2.807   7.819   2.404
  165   2HG   LYS  19           HG3      LYS  19   1.715   6.434   2.272
  166   1HD   LYS  19           HD2      LYS  19   0.423   8.461   2.202
  167   2HD   LYS  19           HD3      LYS  19   0.101   7.642   3.733
  168   1HE   LYS  19           HE2      LYS  19   1.286   9.209   4.970
  169   2HE   LYS  19           HE3      LYS  19   2.233   9.737   3.585
  170   1HZ   LYS  19           HZ3      LYS  19  -0.497  10.246   3.095
  171   2HZ   LYS  19           HZ2      LYS  19  -0.069  10.891   4.612
  172   3HZ   LYS  19           HZ1      LYS  19   0.792  11.355   3.224
  173    H    GLU  20           HN       GLU  20   3.588   3.591   5.475
  174    HA   GLU  20           HA       GLU  20   4.934   4.617   7.792
  175   1HB   GLU  20           HB2      GLU  20   3.872   1.938   6.953
  176   2HB   GLU  20           HB3      GLU  20   4.990   2.013   8.304
  177   1HG   GLU  20           HG2      GLU  20   3.398   3.768   9.279
  178   2HG   GLU  20           HG3      GLU  20   2.246   3.186   8.081
  179    H    GLU  21           HN       GLU  21   6.021   3.190   4.839
  180    HA   GLU  21           HA       GLU  21   8.042   2.536   4.045
  181   1HB   GLU  21           HB2      GLU  21   9.363   3.807   6.444
  182   2HB   GLU  21           HB3      GLU  21  10.003   3.599   4.824
  183   1HG   GLU  21           HG2      GLU  21   8.286   5.217   4.010
  184   2HG   GLU  21           HG3      GLU  21   7.856   5.519   5.690
  185    H    LYS  22           HN       LYS  22   7.150   0.421   4.639
  186    HA   LYS  22           HA       LYS  22   8.803  -1.002   6.627
  187   1HB   LYS  22           HB2      LYS  22   6.545  -0.389   7.516
  188   2HB   LYS  22           HB3      LYS  22   5.812  -1.296   6.210
  189   1HG   LYS  22           HG2      LYS  22   7.016  -3.329   7.115
  190   2HG   LYS  22           HG3      LYS  22   7.399  -2.352   8.527
  191   1HD   LYS  22           HD2      LYS  22   4.568  -2.339   7.690
  192   2HD   LYS  22           HD3      LYS  22   5.175  -3.875   8.306
  193   1HE   LYS  22           HE2      LYS  22   4.179  -2.574  10.091
  194   2HE   LYS  22           HE3      LYS  22   5.912  -2.754  10.360
  195   1HZ   LYS  22           HZ3      LYS  22   6.166  -0.484   9.362
  196   2HZ   LYS  22           HZ2      LYS  22   4.469  -0.342   9.388
  197   3HZ   LYS  22           HZ1      LYS  22   5.331  -0.528  10.841
  198    H    PHE  23           HN       PHE  23   6.408  -1.488   4.053
  199    HA   PHE  23           HA       PHE  23   7.431  -4.131   3.429
  200   1HB   PHE  23           HB2      PHE  23   5.239  -2.569   2.049
  201   2HB   PHE  23           HB3      PHE  23   5.476  -4.324   2.040
  202    HD1  PHE  23           HD2      PHE  23   5.334  -5.542   4.297
  203    HD2  PHE  23           HD1      PHE  23   3.912  -1.573   3.710
  204    HE1  PHE  23           HE2      PHE  23   3.973  -5.737   6.328
  205    HE2  PHE  23           HE1      PHE  23   2.547  -1.768   5.748
  206    HZ   PHE  23           HZ       PHE  23   2.565  -3.853   7.053
  207    H    SER  24           HN       SER  24   8.700  -4.654   1.754
  208    HA   SER  24           HA       SER  24   9.575  -2.529  -0.072
  209   1HB   SER  24           HB2      SER  24  11.201  -3.933   1.332
  210   2HB   SER  24           HB3      SER  24  10.853  -5.247   0.217
  211    HG   SER  24           HG       SER  24  12.269  -2.869  -0.192
  212    H    SER  25           HN       SER  25   7.894  -5.574  -0.070
  213    HA   SER  25           HA       SER  25   7.634  -5.404  -3.012
  214   1HB   SER  25           HB2      SER  25   7.244  -8.010  -2.748
  215   2HB   SER  25           HB3      SER  25   8.868  -7.345  -2.869
  216    HG   SER  25           HG       SER  25   8.201  -7.320  -0.297
  217    H    GLN  26           HN       GLN  26   5.667  -6.421  -3.859
  218    HA   GLN  26           HA       GLN  26   3.334  -5.349  -2.697
  219   1HB   GLN  26           HB2      GLN  26   3.498  -7.530  -4.778
  220   2HB   GLN  26           HB3      GLN  26   2.178  -6.437  -4.495
  221   1HG   GLN  26           HG2      GLN  26   3.040  -5.279  -6.195
  222   2HG   GLN  26           HG3      GLN  26   4.143  -4.659  -4.971
  223   1HE2  GLN  26          HE22      GLN  26   5.765  -6.243  -8.093
  224   2HE2  GLN  26          HE21      GLN  26   4.262  -5.392  -7.969
  225    H    GLY  27           HN       GLY  27   4.306  -8.767  -3.062
  226   1HA   GLY  27           HA1      GLY  27   2.259 -10.078  -1.813
  227   2HA   GLY  27           HA2      GLY  27   3.922 -10.617  -1.726
  228    H    GLU  28           HN       GLU  28   4.870  -8.379  -0.124
  229    HA   GLU  28           HA       GLU  28   4.321  -9.366   2.473
  230   1HB   GLU  28           HB2      GLU  28   5.615  -6.773   1.593
  231   2HB   GLU  28           HB3      GLU  28   5.591  -7.359   3.250
  232   1HG   GLU  28           HG2      GLU  28   6.894  -9.290   2.644
  233   2HG   GLU  28           HG3      GLU  28   6.852  -8.823   0.945
  234    H    ILE  29           HN       ILE  29   3.182  -6.451   0.752
  235    HA   ILE  29           HA       ILE  29   1.581  -5.582   2.989
  236    HB   ILE  29           HB       ILE  29   1.934  -3.650   2.004
  237   1HG1  ILE  29          HG12      ILE  29  -0.073  -4.523  -0.078
  238   2HG1  ILE  29          HG13      ILE  29  -0.456  -3.844   1.507
  239   1HG2  ILE  29          HG21      ILE  29   3.613  -4.640   0.503
  240   2HG2  ILE  29          HG22      ILE  29   2.347  -4.900  -0.694
  241   3HG2  ILE  29          HG23      ILE  29   2.774  -3.268  -0.207
  242   1HD1  ILE  29          HD11      ILE  29   1.187  -1.934   0.532
  243   2HD1  ILE  29          HD12      ILE  29   0.439  -2.518  -0.957
  244   3HD1  ILE  29          HD13      ILE  29  -0.566  -1.921   0.364
  245    H    VAL  30           HN       VAL  30   1.125  -7.717   0.305
  246    HA   VAL  30           HA       VAL  30  -1.712  -7.733   0.129
  247    HB   VAL  30           HB       VAL  30   0.254  -9.998  -0.335
  248   1HG1  VAL  30          HG11      VAL  30  -2.704  -9.844  -0.651
  249   2HG1  VAL  30          HG12      VAL  30  -1.761 -10.803  -1.790
  250   3HG1  VAL  30          HG13      VAL  30  -1.700 -11.172  -0.068
  251   1HG2  VAL  30          HG23      VAL  30   0.248  -7.846  -1.810
  252   2HG2  VAL  30          HG21      VAL  30   0.322  -9.433  -2.565
  253   3HG2  VAL  30          HG22      VAL  30  -1.202  -8.559  -2.500
  254    H    ALA  31           HN       ALA  31   0.583  -9.676   2.036
  255    HA   ALA  31           HA       ALA  31  -1.366 -11.128   3.512
  256   1HB   ALA  31           HB3      ALA  31   0.905 -11.954   3.241
  257   2HB   ALA  31           HB1      ALA  31   1.538 -10.582   4.156
  258   3HB   ALA  31           HB2      ALA  31   0.514 -11.783   4.955
  259    H    ALA  32           HN       ALA  32   0.521  -8.193   4.235
  260    HA   ALA  32           HA       ALA  32  -0.152  -7.764   6.865
  261   1HB   ALA  32           HB3      ALA  32   1.476  -6.423   5.569
  262   2HB   ALA  32           HB1      ALA  32   0.128  -5.580   4.801
  263   3HB   ALA  32           HB2      ALA  32   0.380  -5.439   6.540
  264    H    LEU  33           HN       LEU  33  -2.037  -6.685   4.020
  265    HA   LEU  33           HA       LEU  33  -4.067  -5.428   5.569
  266   1HB   LEU  33           HB2      LEU  33  -4.199  -6.385   2.711
  267   2HB   LEU  33           HB3      LEU  33  -5.360  -5.315   3.489
  268    HG   LEU  33           HG       LEU  33  -2.479  -4.505   3.422
  269   1HD1  LEU  33          HD12      LEU  33  -2.973  -5.193   1.123
  270   2HD1  LEU  33          HD13      LEU  33  -4.380  -4.128   1.119
  271   3HD1  LEU  33          HD11      LEU  33  -2.763  -3.448   1.266
  272   1HD2  LEU  33          HD21      LEU  33  -5.112  -3.040   3.376
  273   2HD2  LEU  33          HD22      LEU  33  -3.960  -3.134   4.709
  274   3HD2  LEU  33          HD23      LEU  33  -3.536  -2.261   3.238
  275    H    GLN  34           HN       GLN  34  -3.586  -8.743   4.520
  276    HA   GLN  34           HA       GLN  34  -6.274  -9.599   5.028
  277   1HB   GLN  34           HB2      GLN  34  -3.689 -11.120   4.699
  278   2HB   GLN  34           HB3      GLN  34  -5.206 -11.920   5.095
  279   1HG   GLN  34           HG2      GLN  34  -6.211 -10.959   3.050
  280   2HG   GLN  34           HG3      GLN  34  -4.649 -10.264   2.637
  281   1HE2  GLN  34          HE22      GLN  34  -3.525 -13.145   1.083
  282   2HE2  GLN  34          HE21      GLN  34  -3.375 -11.448   1.373
  283    H    GLU  35           HN       GLU  35  -3.444  -9.091   6.992
  284    HA   GLU  35           HA       GLU  35  -4.499 -10.431   9.337
  285   1HB   GLU  35           HB2      GLU  35  -2.182  -8.495   9.040
  286   2HB   GLU  35           HB3      GLU  35  -2.582  -9.374  10.508
  287   1HG   GLU  35           HG2      GLU  35  -2.084 -11.478   9.451
  288   2HG   GLU  35           HG3      GLU  35  -1.815 -10.679   7.903
  289    H    GLN  36           HN       GLN  36  -4.508  -7.226   7.941
  290    HA   GLN  36           HA       GLN  36  -5.275  -5.716  10.204
  291   1HB   GLN  36           HB2      GLN  36  -5.549  -5.238   7.236
  292   2HB   GLN  36           HB3      GLN  36  -6.079  -4.064   8.422
  293   1HG   GLN  36           HG2      GLN  36  -3.481  -4.708   9.194
  294   2HG   GLN  36           HG3      GLN  36  -3.415  -4.640   7.440
  295   1HE2  GLN  36          HE22      GLN  36  -3.185  -1.286   9.425
  296   2HE2  GLN  36          HE21      GLN  36  -2.818  -2.869  10.012
  297    H    GLY  37           HN       GLY  37  -7.306  -6.685   7.417
  298   1HA   GLY  37           HA1      GLY  37  -9.449  -7.772   8.736
  299   2HA   GLY  37           HA2      GLY  37  -9.731  -6.041   8.831
  300    H    PHE  38           HN       PHE  38  -8.161  -7.541   6.084
  301    HA   PHE  38           HA       PHE  38 -10.566  -6.999   4.435
  302   1HB   PHE  38           HB2      PHE  38  -7.668  -6.772   3.570
  303   2HB   PHE  38           HB3      PHE  38  -9.096  -6.358   2.622
  304    HD1  PHE  38           HD2      PHE  38 -10.565  -4.498   3.377
  305    HD2  PHE  38           HD1      PHE  38  -6.784  -5.226   5.176
  306    HE1  PHE  38           HE2      PHE  38 -10.587  -2.243   4.358
  307    HE2  PHE  38           HE1      PHE  38  -6.796  -2.986   6.155
  308    HZ   PHE  38           HZ       PHE  38  -8.695  -1.489   5.744
  309    H    ASP  39           HN       ASP  39 -11.189  -8.589   2.998
  310    HA   ASP  39           HA       ASP  39  -9.619 -11.054   2.908
  311   1HB   ASP  39           HB2      ASP  39 -11.490 -11.134   4.640
  312   2HB   ASP  39           HB3      ASP  39 -12.623 -11.006   3.301
  313    H    ASN  40           HN       ASN  40  -9.393 -11.795   1.045
  314    HA   ASN  40           HA       ASN  40  -9.922 -12.646  -1.047
  315   1HB   ASN  40           HB2      ASN  40 -12.396 -11.944  -0.556
  316   2HB   ASN  40           HB3      ASN  40 -12.018 -10.545  -1.555
  317   1HD2  ASN  40          HD22      ASN  40 -11.885 -14.246  -3.317
  318   2HD2  ASN  40          HD21      ASN  40 -11.310 -14.032  -1.702
  319    H    ILE  41           HN       ILE  41  -7.829 -11.170  -0.535
  320    HA   ILE  41           HA       ILE  41  -7.621  -9.273  -2.787
  321    HB   ILE  41           HB       ILE  41  -7.167  -8.757  -0.070
  322   1HG1  ILE  41          HG12      ILE  41  -6.175  -6.600  -1.057
  323   2HG1  ILE  41          HG13      ILE  41  -6.524  -7.311  -2.628
  324   1HG2  ILE  41          HG23      ILE  41  -4.962  -9.906  -0.280
  325   2HG2  ILE  41          HG21      ILE  41  -4.501  -8.682  -1.468
  326   3HG2  ILE  41          HG22      ILE  41  -4.863  -8.208   0.188
  327   1HD1  ILE  41          HD13      ILE  41  -8.900  -7.648  -1.568
  328   2HD1  ILE  41          HD11      ILE  41  -8.370  -6.335  -0.518
  329   3HD1  ILE  41          HD12      ILE  41  -8.423  -6.099  -2.264
  330    H    ASN  42           HN       ASN  42  -5.430  -9.156  -3.745
  331    HA   ASN  42           HA       ASN  42  -3.705 -11.470  -3.397
  332   1HB   ASN  42           HB2      ASN  42  -3.797 -12.043  -5.854
  333   2HB   ASN  42           HB3      ASN  42  -5.233 -12.461  -4.941
  334   1HD2  ASN  42          HD22      ASN  42  -7.200 -10.939  -7.341
  335   2HD2  ASN  42          HD21      ASN  42  -6.873 -12.297  -6.323
  336    H    GLN  43           HN       GLN  43  -1.839 -11.378  -5.045
  337    HA   GLN  43           HA       GLN  43  -0.450  -8.977  -4.689
  338   1HB   GLN  43           HB2      GLN  43   0.394 -11.409  -5.238
  339   2HB   GLN  43           HB3      GLN  43   0.341 -10.841  -6.903
  340   1HG   GLN  43           HG2      GLN  43   1.849  -9.008  -6.337
  341   2HG   GLN  43           HG3      GLN  43   1.874  -9.533  -4.656
  342   1HE2  GLN  43          HE22      GLN  43   3.841 -12.462  -5.383
  343   2HE2  GLN  43          HE21      GLN  43   2.434 -11.987  -4.494
  344    H    SER  44           HN       SER  44  -2.421 -10.028  -7.419
  345    HA   SER  44           HA       SER  44  -1.566  -8.089  -9.286
  346   1HB   SER  44           HB2      SER  44  -4.303  -9.389  -9.125
  347   2HB   SER  44           HB3      SER  44  -3.522  -8.722 -10.550
  348    HG   SER  44           HG       SER  44  -2.766 -11.035  -9.078
  349    H    LYS  45           HN       LYS  45  -4.087  -8.058  -6.794
  350    HA   LYS  45           HA       LYS  45  -5.199  -5.523  -7.473
  351   1HB   LYS  45           HB2      LYS  45  -5.923  -7.528  -5.756
  352   2HB   LYS  45           HB3      LYS  45  -5.285  -6.350  -4.621
  353   1HG   LYS  45           HG2      LYS  45  -7.297  -5.405  -4.652
  354   2HG   LYS  45           HG3      LYS  45  -6.916  -4.839  -6.278
  355   1HD   LYS  45           HD2      LYS  45  -8.046  -6.635  -7.293
  356   2HD   LYS  45           HD3      LYS  45  -8.093  -7.565  -5.794
  357   1HE   LYS  45           HE2      LYS  45  -9.564  -5.731  -4.853
  358   2HE   LYS  45           HE3      LYS  45  -9.681  -5.098  -6.494
  359   1HZ   LYS  45           HZ2      LYS  45 -10.273  -7.717  -6.815
  360   2HZ   LYS  45           HZ1      LYS  45 -10.965  -7.377  -5.294
  361   3HZ   LYS  45           HZ3      LYS  45 -11.420  -6.468  -6.662
  362    H    VAL  46           HN       VAL  46  -2.589  -6.565  -5.360
  363    HA   VAL  46           HA       VAL  46  -2.110  -4.030  -4.133
  364    HB   VAL  46           HB       VAL  46  -0.580  -6.613  -4.209
  365   1HG1  VAL  46          HG13      VAL  46   1.097  -4.837  -4.101
  366   2HG1  VAL  46          HG11      VAL  46   0.239  -4.106  -2.745
  367   3HG1  VAL  46          HG12      VAL  46   0.971  -5.697  -2.575
  368   1HG2  VAL  46          HG23      VAL  46  -2.310  -5.146  -2.264
  369   2HG2  VAL  46          HG21      VAL  46  -2.363  -6.835  -2.757
  370   3HG2  VAL  46          HG22      VAL  46  -1.095  -6.270  -1.669
  371    H    SER  47           HN       SER  47  -0.620  -5.734  -6.889
  372    HA   SER  47           HA       SER  47   1.360  -3.742  -7.382
  373   1HB   SER  47           HB2      SER  47   1.403  -4.854  -9.710
  374   2HB   SER  47           HB3      SER  47   1.833  -5.846  -8.318
  375    HG   SER  47           HG       SER  47  -0.094  -6.875  -8.428
  376    H    ARG  48           HN       ARG  48  -1.980  -4.205  -8.434
  377    HA   ARG  48           HA       ARG  48  -1.996  -2.132 -10.405
  378   1HB   ARG  48           HB2      ARG  48  -4.144  -3.627  -8.928
  379   2HB   ARG  48           HB3      ARG  48  -4.560  -2.227  -9.906
  380   1HG   ARG  48           HG2      ARG  48  -3.153  -4.703 -10.890
  381   2HG   ARG  48           HG3      ARG  48  -4.849  -4.308 -11.135
  382   1HD   ARG  48           HD2      ARG  48  -3.786  -2.082 -12.143
  383   2HD   ARG  48           HD3      ARG  48  -2.421  -3.163 -12.414
  384    HE   ARG  48           HE       ARG  48  -4.910  -3.127 -13.839
  385   1HH1  ARG  48          HH12      ARG  48  -2.248  -5.186 -12.834
  386   2HH1  ARG  48          HH11      ARG  48  -2.472  -6.324 -14.134
  387   1HH2  ARG  48          HH22      ARG  48  -5.211  -4.611 -15.542
  388   2HH2  ARG  48          HH21      ARG  48  -4.159  -5.998 -15.687
  389    H    MET  49           HN       MET  49  -2.916  -2.271  -6.978
  390    HA   MET  49           HA       MET  49  -3.746   0.403  -6.699
  391   1HB   MET  49           HB2      MET  49  -2.820  -1.674  -4.763
  392   2HB   MET  49           HB3      MET  49  -3.151  -0.034  -4.231
  393   1HG   MET  49           HG2      MET  49  -4.964  -2.133  -4.588
  394   2HG   MET  49           HG3      MET  49  -5.295  -0.481  -4.103
  395   1HE   MET  49           HE1      MET  49  -7.531  -0.371  -4.803
  396   2HE   MET  49           HE2      MET  49  -8.150  -0.361  -6.452
  397   3HE   MET  49           HE3      MET  49  -7.828  -1.894  -5.641
  398    H    LEU  50           HN       LEU  50  -0.541  -1.094  -6.421
  399    HA   LEU  50           HA       LEU  50   0.844   1.130  -5.346
  400   1HB   LEU  50           HB2      LEU  50   1.646  -1.336  -6.840
  401   2HB   LEU  50           HB3      LEU  50   2.823  -0.039  -6.712
  402    HG   LEU  50           HG       LEU  50   1.497  -0.944  -4.211
  403   1HD1  LEU  50          HD13      LEU  50   3.378  -2.598  -5.829
  404   2HD1  LEU  50          HD11      LEU  50   3.473  -2.639  -4.071
  405   3HD1  LEU  50          HD12      LEU  50   1.981  -3.100  -4.882
  406   1HD2  LEU  50          HD21      LEU  50   4.148   0.184  -4.982
  407   2HD2  LEU  50          HD22      LEU  50   2.963   0.783  -3.816
  408   3HD2  LEU  50          HD23      LEU  50   3.926  -0.644  -3.443
  409    H    THR  51           HN       THR  51   0.294   0.106  -8.708
  410    HA   THR  51           HA       THR  51   1.684   2.295  -9.890
  411    HB   THR  51           HB       THR  51  -0.513   0.746 -11.271
  412    HG1  THR  51           HG1      THR  51   0.659  -0.884 -10.354
  413   1HG2  THR  51          HG23      THR  51   2.149   1.767 -12.248
  414   2HG2  THR  51          HG22      THR  51   0.970   0.866 -13.199
  415   3HG2  THR  51          HG21      THR  51   0.571   2.472 -12.597
  416    H    LYS  52           HN       LYS  52  -1.760   1.638  -9.269
  417    HA   LYS  52           HA       LYS  52  -2.893   3.928 -10.384
  418   1HB   LYS  52           HB2      LYS  52  -4.173   1.952  -9.639
  419   2HB   LYS  52           HB3      LYS  52  -3.826   2.349  -7.965
  420   1HG   LYS  52           HG2      LYS  52  -5.148   4.464  -9.561
  421   2HG   LYS  52           HG3      LYS  52  -6.099   3.017  -9.226
  422   1HD   LYS  52           HD2      LYS  52  -5.186   3.417  -6.765
  423   2HD   LYS  52           HD3      LYS  52  -5.035   5.075  -7.344
  424   1HE   LYS  52           HE2      LYS  52  -7.179   4.784  -6.267
  425   2HE   LYS  52           HE3      LYS  52  -7.411   5.048  -7.994
  426   1HZ   LYS  52           HZ1      LYS  52  -7.190   2.275  -7.331
  427   2HZ   LYS  52           HZ3      LYS  52  -8.481   3.015  -6.522
  428   3HZ   LYS  52           HZ2      LYS  52  -8.383   3.081  -8.226
  429    H    PHE  53           HN       PHE  53  -2.018   3.390  -6.953
  430    HA   PHE  53           HA       PHE  53  -2.580   6.091  -6.208
  431   1HB   PHE  53           HB2      PHE  53  -1.169   3.846  -4.743
  432   2HB   PHE  53           HB3      PHE  53  -1.507   5.414  -4.024
  433    HD1  PHE  53           HD1      PHE  53  -4.201   6.068  -4.739
  434    HD2  PHE  53           HD2      PHE  53  -2.538   2.252  -3.844
  435    HE1  PHE  53           HE1      PHE  53  -6.420   5.256  -4.045
  436    HE2  PHE  53           HE2      PHE  53  -4.742   1.444  -3.150
  437    HZ   PHE  53           HZ       PHE  53  -6.691   2.940  -3.257
  438    H    GLY  54           HN       GLY  54  -0.052   4.984  -8.019
  439   1HA   GLY  54           HA1      GLY  54   1.948   5.922  -8.659
  440   2HA   GLY  54           HA2      GLY  54   1.419   7.385  -7.847
  441    H    ALA  55           HN       ALA  55   2.329   4.121  -6.721
  442    HA   ALA  55           HA       ALA  55   3.663   5.149  -4.412
  443   1HB   ALA  55           HB3      ALA  55   3.543   2.370  -5.570
  444   2HB   ALA  55           HB1      ALA  55   4.306   2.774  -4.030
  445   3HB   ALA  55           HB2      ALA  55   2.574   3.030  -4.251
  446    H    VAL  56           HN       VAL  56   5.823   4.984  -3.852
  447    HA   VAL  56           HA       VAL  56   7.787   4.749  -6.046
  448    HB   VAL  56           HB       VAL  56   8.383   6.893  -5.782
  449   1HG1  VAL  56          HG12      VAL  56   6.466   7.002  -3.463
  450   2HG1  VAL  56          HG13      VAL  56   7.206   8.398  -4.245
  451   3HG1  VAL  56          HG11      VAL  56   6.095   7.370  -5.153
  452   1HG2  VAL  56          HG21      VAL  56   8.936   6.177  -2.911
  453   2HG2  VAL  56          HG22      VAL  56  10.092   6.357  -4.237
  454   3HG2  VAL  56          HG23      VAL  56   9.256   7.771  -3.586
  455    H    ARG  57           HN       ARG  57  10.081   4.491  -5.041
  456    HA   ARG  57           HA       ARG  57   9.910   2.774  -2.644
  457   1HB   ARG  57           HB2      ARG  57  12.142   2.390  -4.620
  458   2HB   ARG  57           HB3      ARG  57  11.456   1.246  -3.472
  459   1HG   ARG  57           HG2      ARG  57   9.360   1.311  -4.947
  460   2HG   ARG  57           HG3      ARG  57  10.387   2.089  -6.148
  461   1HD   ARG  57           HD2      ARG  57  10.210  -0.709  -5.367
  462   2HD   ARG  57           HD3      ARG  57  10.851   0.012  -6.839
  463    HE   ARG  57           HE       ARG  57  12.949   0.427  -5.553
  464   1HH1  ARG  57          HH12      ARG  57  10.767  -2.138  -4.560
  465   2HH1  ARG  57          HH11      ARG  57  12.004  -3.073  -3.780
  466   1HH2  ARG  57          HH22      ARG  57  14.582  -0.801  -4.523
  467   2HH2  ARG  57          HH21      ARG  57  14.167  -2.314  -3.753
  468    H    THR  58           HN       THR  58  10.927   3.527  -0.975
  469    HA   THR  58           HA       THR  58  13.206   5.368  -1.335
  470    HB   THR  58           HB       THR  58  10.532   6.032  -0.438
  471    HG1  THR  58           HG1      THR  58  11.156   7.964  -1.046
  472   1HG2  THR  58          HG22      THR  58  11.344   5.668   1.837
  473   2HG2  THR  58          HG21      THR  58  12.652   6.816   1.538
  474   3HG2  THR  58          HG23      THR  58  10.975   7.358   1.501
  475    H    ARG  59           HN       ARG  59  14.517   5.637   0.595
  476    HA   ARG  59           HA       ARG  59  14.857   3.139   2.011
  477   1HB   ARG  59           HB2      ARG  59  16.518   5.416   1.388
  478   2HB   ARG  59           HB3      ARG  59  16.588   5.104   3.115
  479   1HG   ARG  59           HG2      ARG  59  17.018   2.654   2.442
  480   2HG   ARG  59           HG3      ARG  59  17.389   3.315   0.850
  481   1HD   ARG  59           HD2      ARG  59  18.749   3.938   3.467
  482   2HD   ARG  59           HD3      ARG  59  19.438   3.106   2.082
  483    HE   ARG  59           HE       ARG  59  18.964   5.980   2.365
  484   1HH1  ARG  59          HH12      ARG  59  20.030   3.339   0.309
  485   2HH1  ARG  59          HH11      ARG  59  20.838   4.392  -0.821
  486   1HH2  ARG  59          HH22      ARG  59  20.014   7.352   0.877
  487   2HH2  ARG  59          HH21      ARG  59  20.815   6.661  -0.508
  488    H    ASN  60           HN       ASN  60  14.134   2.670   3.992
  489    HA   ASN  60           HA       ASN  60  12.551   4.631   5.429
  490   1HB   ASN  60           HB2      ASN  60  11.925   2.720   6.898
  491   2HB   ASN  60           HB3      ASN  60  11.613   2.423   5.197
  492   1HD2  ASN  60          HD22      ASN  60  13.008  -0.711   5.778
  493   2HD2  ASN  60          HD21      ASN  60  11.568   0.213   5.531
  494    H    ALA  61           HN       ALA  61  12.764   3.992   8.036
  495    HA   ALA  61           HA       ALA  61  14.958   5.489   8.940
  496   1HB   ALA  61           HB2      ALA  61  12.853   5.289  10.169
  497   2HB   ALA  61           HB3      ALA  61  13.217   3.600  10.520
  498   3HB   ALA  61           HB1      ALA  61  14.235   4.877  11.183
  499    H    LYS  62           HN       LYS  62  14.706   2.106   8.256
  500    HA   LYS  62           HA       LYS  62  17.185   1.482   9.708
  501   1HB   LYS  62           HB2      LYS  62  15.243  -0.346   8.276
  502   2HB   LYS  62           HB3      LYS  62  16.680  -0.859   9.149
  503   1HG   LYS  62           HG2      LYS  62  14.620   0.747  10.597
  504   2HG   LYS  62           HG3      LYS  62  14.292  -0.950  10.246
  505   1HD   LYS  62           HD2      LYS  62  16.283  -1.631  11.427
  506   2HD   LYS  62           HD3      LYS  62  16.750   0.054  11.677
  507   1HE   LYS  62           HE2      LYS  62  15.609  -1.213  13.612
  508   2HE   LYS  62           HE3      LYS  62  15.079   0.424  13.241
  509   1HZ   LYS  62           HZ2      LYS  62  13.712  -1.951  12.108
  510   2HZ   LYS  62           HZ1      LYS  62  13.289  -1.309  13.627
  511   3HZ   LYS  62           HZ3      LYS  62  13.131  -0.352  12.227
  512    H    MET  63           HN       MET  63  17.024   3.089   7.195
  513    HA   MET  63           HA       MET  63  17.953   3.296   5.158
  514   1HB   MET  63           HB2      MET  63  20.312   2.432   4.958
  515   2HB   MET  63           HB3      MET  63  19.992   3.503   6.316
  516   1HG   MET  63           HG2      MET  63  19.879   1.535   7.808
  517   2HG   MET  63           HG3      MET  63  20.246   0.501   6.432
  518   1HE   MET  63           HE3      MET  63  22.118   0.750   4.970
  519   2HE   MET  63           HE1      MET  63  22.950   2.303   4.978
  520   3HE   MET  63           HE2      MET  63  23.760   0.867   5.609
  521    H    GLU  64           HN       GLU  64  16.064   1.227   5.134
  522    HA   GLU  64           HA       GLU  64  17.243  -0.586   3.123
  523   1HB   GLU  64           HB2      GLU  64  15.062  -1.086   5.154
  524   2HB   GLU  64           HB3      GLU  64  15.216  -2.079   3.712
  525   1HG   GLU  64           HG2      GLU  64  17.688  -2.357   4.524
  526   2HG   GLU  64           HG3      GLU  64  17.022  -1.875   6.083
  527    H    MET  65           HN       MET  65  16.340  -0.564   1.128
  528    HA   MET  65           HA       MET  65  14.470   1.474   0.440
  529   1HB   MET  65           HB2      MET  65  15.651  -0.831  -1.114
  530   2HB   MET  65           HB3      MET  65  14.504   0.295  -1.828
  531   1HG   MET  65           HG2      MET  65  17.121   1.109  -0.583
  532   2HG   MET  65           HG3      MET  65  16.881   0.808  -2.299
  533   1HE   MET  65           HE2      MET  65  14.719   2.049  -3.560
  534   2HE   MET  65           HE3      MET  65  15.010   3.785  -3.631
  535   3HE   MET  65           HE1      MET  65  16.329   2.657  -3.940
  536    H    VAL  66           HN       VAL  66  12.355   1.421   0.672
  537    HA   VAL  66           HA       VAL  66  10.871  -1.100   0.347
  538    HB   VAL  66           HB       VAL  66   9.350  -0.401   2.252
  539   1HG1  VAL  66          HG13      VAL  66  11.045  -2.169   2.528
  540   2HG1  VAL  66          HG11      VAL  66  12.211  -0.959   3.060
  541   3HG1  VAL  66          HG12      VAL  66  10.763  -1.271   4.018
  542   1HG2  VAL  66          HG22      VAL  66  11.597   1.543   2.809
  543   2HG2  VAL  66          HG23      VAL  66   9.920   1.936   2.439
  544   3HG2  VAL  66          HG21      VAL  66  10.324   1.128   3.951
  545    H    TYR  67           HN       TYR  67   8.474  -0.617   0.213
  546    HA   TYR  67           HA       TYR  67   7.982   1.350  -1.815
  547   1HB   TYR  67           HB2      TYR  67   6.354  -0.766  -0.453
  548   2HB   TYR  67           HB3      TYR  67   5.508   0.539  -1.260
  549    HD1  TYR  67           HD2      TYR  67   7.250   0.964  -3.634
  550    HD2  TYR  67           HD1      TYR  67   5.847  -2.612  -1.805
  551    HE1  TYR  67           HE2      TYR  67   7.419  -0.178  -5.786
  552    HE2  TYR  67           HE1      TYR  67   5.990  -3.784  -3.961
  553    HH   TYR  67           HH       TYR  67   7.693  -3.118  -6.279
  554    H    CYS  68           HN       CYS  68   7.211   3.321  -1.567
  555    HA   CYS  68           HA       CYS  68   5.915   4.117   0.934
  556   1HB   CYS  68           HB2      CYS  68   8.133   5.732  -0.362
  557   2HB   CYS  68           HB3      CYS  68   7.300   6.096   1.144
  558    HG   CYS  68           HG       CYS  68   9.563   4.048   0.806
  559    H    LEU  69           HN       LEU  69   4.982   6.367   0.692
  560    HA   LEU  69           HA       LEU  69   3.931   6.729  -2.042
  561   1HB   LEU  69           HB2      LEU  69   2.459   6.063   0.136
  562   2HB   LEU  69           HB3      LEU  69   2.385   7.811   0.238
  563    HG   LEU  69           HG       LEU  69   1.502   7.869  -2.090
  564   1HD1  LEU  69          HD11      LEU  69   2.337   5.162  -2.095
  565   2HD1  LEU  69          HD12      LEU  69   0.579   5.177  -2.255
  566   3HD1  LEU  69          HD13      LEU  69   1.575   6.079  -3.395
  567   1HD2  LEU  69          HD22      LEU  69  -0.012   6.285  -0.030
  568   2HD2  LEU  69          HD23      LEU  69  -0.065   8.025  -0.310
  569   3HD2  LEU  69          HD21      LEU  69  -0.730   6.922  -1.512
  570    HA   PRO  70           HA       PRO  70   5.739  10.847  -1.731
  571   1HB   PRO  70           HB2      PRO  70   3.928  11.789  -3.804
  572   2HB   PRO  70           HB3      PRO  70   5.655  11.482  -3.904
  573   1HG   PRO  70           HG2      PRO  70   3.721   9.998  -5.162
  574   2HG   PRO  70           HG3      PRO  70   5.337   9.396  -4.765
  575   1HD   PRO  70           HD2      PRO  70   2.730   8.919  -3.398
  576   2HD   PRO  70           HD3      PRO  70   4.110   7.826  -3.631
  577    H    ALA  71           HN       ALA  71   4.090  13.068  -2.539
  578    HA   ALA  71           HA       ALA  71   2.670  13.741  -0.154
  579   1HB   ALA  71           HB3      ALA  71   3.144  14.991  -2.796
  580   2HB   ALA  71           HB1      ALA  71   1.664  15.477  -1.970
  581   3HB   ALA  71           HB2      ALA  71   3.224  15.689  -1.177
  582    H    GLU  72           HN       GLU  72   0.615  13.192   0.384
  583    HA   GLU  72           HA       GLU  72  -0.760  11.122  -0.591
  584   1HB   GLU  72           HB2      GLU  72  -1.234  12.588   1.486
  585   2HB   GLU  72           HB3      GLU  72  -2.330  13.478   0.439
  586   1HG   GLU  72           HG2      GLU  72  -3.517  11.813   1.749
  587   2HG   GLU  72           HG3      GLU  72  -3.615  11.447   0.029
  588    H    LEU  73           HN       LEU  73  -1.952  10.545  -2.252
  589    HA   LEU  73           HA       LEU  73  -2.815  12.580  -4.212
  590   1HB   LEU  73           HB2      LEU  73  -1.834   9.747  -4.505
  591   2HB   LEU  73           HB3      LEU  73  -2.797  10.491  -5.767
  592    HG   LEU  73           HG       LEU  73  -0.334  11.882  -4.787
  593   1HD1  LEU  73          HD12      LEU  73  -0.458   9.435  -6.505
  594   2HD1  LEU  73          HD13      LEU  73   0.793  10.647  -6.761
  595   3HD1  LEU  73          HD11      LEU  73   0.667   9.832  -5.206
  596   1HD2  LEU  73          HD22      LEU  73  -1.766  11.740  -7.432
  597   2HD2  LEU  73          HD23      LEU  73  -1.748  13.098  -6.305
  598   3HD2  LEU  73          HD21      LEU  73  -0.269  12.625  -7.139
  599    H    GLY  74           HN       GLY  74  -4.851  12.921  -3.179
  600   1HA   GLY  74           HA1      GLY  74  -7.149  12.609  -3.339
  601   2HA   GLY  74           HA2      GLY  74  -6.877  11.012  -4.010
  602    H    VAL  75           HN       VAL  75  -8.430  12.373  -1.633
  603    HA   VAL  75           HA       VAL  75  -7.680  10.437   0.466
  604    HB   VAL  75           HB       VAL  75  -9.182  11.935   1.932
  605   1HG1  VAL  75          HG22      VAL  75  -6.703  11.818   2.027
  606   2HG1  VAL  75          HG23      VAL  75  -6.636  13.153   0.872
  607   3HG1  VAL  75          HG21      VAL  75  -7.359  13.396   2.463
  608   1HG2  VAL  75          HG12      VAL  75  -9.955  13.155  -0.295
  609   2HG2  VAL  75          HG13      VAL  75  -9.878  13.990   1.251
  610   3HG2  VAL  75          HG11      VAL  75  -8.571  14.173   0.084
  611    HA   PRO  76           HA       PRO  76 -11.528   8.228   0.106
  612   1HB   PRO  76           HB2      PRO  76 -12.217   8.540   2.960
  613   2HB   PRO  76           HB3      PRO  76 -11.774   7.090   2.057
  614   1HG   PRO  76           HG2      PRO  76 -10.113   8.183   3.853
  615   2HG   PRO  76           HG3      PRO  76  -9.506   7.429   2.366
  616   1HD   PRO  76           HD2      PRO  76  -9.932  10.340   2.978
  617   2HD   PRO  76           HD3      PRO  76  -8.533   9.550   2.216
  618    H    THR  77           HN       THR  77 -11.776  11.268  -0.040
  619    HA   THR  77           HA       THR  77 -14.601  11.356  -0.334
  620    HB   THR  77           HB       THR  77 -14.406  11.633   2.161
  621    HG1  THR  77           HG1      THR  77 -16.180  12.637   1.752
  622   1HG2  THR  77          HG23      THR  77 -12.293  12.846   2.339
  623   2HG2  THR  77          HG22      THR  77 -13.029  14.248   1.568
  624   3HG2  THR  77          HG21      THR  77 -13.612  13.699   3.135
  625    H    THR  78           HN       THR  78 -15.262  13.727  -0.891
  626    HA   THR  78           HA       THR  78 -13.106  14.927  -2.518
  627    HB   THR  78           HB       THR  78 -15.155  15.877  -3.819
  628    HG1  THR  78           HG1      THR  78 -16.981  15.283  -2.950
  629   1HG2  THR  78          HG21      THR  78 -13.639  14.191  -4.751
  630   2HG2  THR  78          HG23      THR  78 -14.596  12.922  -3.990
  631   3HG2  THR  78          HG22      THR  78 -15.310  13.934  -5.245
   
  No H/Q in entry =         631
  Start of MODEL    6
    1   1H    MET   1           HT2      MET   1 -23.398   0.323   9.147
    2   2H    MET   1           HT1      MET   1 -23.711  -0.063  10.795
    3   3H    MET   1           HT3      MET   1 -24.261   1.430  10.146
    4    HA   MET   1           HA       MET   1 -22.477   2.287  10.988
    5   1HB   MET   1           HB2      MET   1 -21.680  -0.590  11.256
    6   2HB   MET   1           HB3      MET   1 -20.440   0.637  11.451
    7   1HG   MET   1           HG2      MET   1 -23.005   0.570  13.026
    8   2HG   MET   1           HG3      MET   1 -21.481  -0.129  13.570
    9   1HE   MET   1           HE2      MET   1 -23.744   2.763  13.655
   10   2HE   MET   1           HE3      MET   1 -23.184   2.165  15.215
   11   3HE   MET   1           HE1      MET   1 -22.826   3.819  14.728
   12    H    ARG   2           HN       ARG   2 -21.158  -0.334   8.911
   13    HA   ARG   2           HA       ARG   2 -19.550   1.672   7.483
   14   1HB   ARG   2           HB2      ARG   2 -19.404  -1.341   7.234
   15   2HB   ARG   2           HB3      ARG   2 -18.208  -0.166   6.707
   16   1HG   ARG   2           HG2      ARG   2 -18.936  -0.874   9.546
   17   2HG   ARG   2           HG3      ARG   2 -17.434  -1.245   8.702
   18   1HD   ARG   2           HD2      ARG   2 -18.414   1.550   9.287
   19   2HD   ARG   2           HD3      ARG   2 -17.261   0.666  10.286
   20    HE   ARG   2           HE       ARG   2 -16.198   0.610   7.749
   21   1HH1  ARG   2          HH12      ARG   2 -17.161   3.103  10.018
   22   2HH1  ARG   2          HH11      ARG   2 -15.962   4.241   9.461
   23   1HH2  ARG   2          HH22      ARG   2 -14.643   2.095   7.023
   24   2HH2  ARG   2          HH21      ARG   2 -14.535   3.666   7.757
   25    H    SER   3           HN       SER   3 -21.633   2.426   6.478
   26    HA   SER   3           HA       SER   3 -22.387   0.798   4.124
   27   1HB   SER   3           HB2      SER   3 -23.926   3.104   5.353
   28   2HB   SER   3           HB3      SER   3 -24.468   2.050   4.047
   29    HG   SER   3           HG       SER   3 -25.162   0.713   5.506
   30    H    SER   4           HN       SER   4 -21.722   4.149   5.161
   31    HA   SER   4           HA       SER   4 -21.390   5.063   2.429
   32   1HB   SER   4           HB2      SER   4 -21.020   6.442   5.101
   33   2HB   SER   4           HB3      SER   4 -20.798   7.234   3.542
   34    HG   SER   4           HG       SER   4 -22.910   7.140   3.154
   35    H    ALA   5           HN       ALA   5 -19.656   3.092   2.654
   36    HA   ALA   5           HA       ALA   5 -17.092   4.346   2.237
   37   1HB   ALA   5           HB2      ALA   5 -17.383   2.349   4.492
   38   2HB   ALA   5           HB3      ALA   5 -15.857   2.966   3.858
   39   3HB   ALA   5           HB1      ALA   5 -16.984   4.059   4.659
   40    H    LYS   6           HN       LYS   6 -17.728   3.472   0.149
   41    HA   LYS   6           HA       LYS   6 -17.951   0.621  -0.182
   42   1HB   LYS   6           HB2      LYS   6 -17.752   1.417  -2.712
   43   2HB   LYS   6           HB3      LYS   6 -19.241   1.511  -1.797
   44   1HG   LYS   6           HG2      LYS   6 -18.816   3.879  -1.333
   45   2HG   LYS   6           HG3      LYS   6 -17.328   3.782  -2.274
   46   1HD   LYS   6           HD2      LYS   6 -18.863   2.940  -4.176
   47   2HD   LYS   6           HD3      LYS   6 -20.178   3.581  -3.198
   48   1HE   LYS   6           HE2      LYS   6 -19.807   5.517  -4.249
   49   2HE   LYS   6           HE3      LYS   6 -18.390   5.665  -3.209
   50   1HZ   LYS   6           HZ3      LYS   6 -17.689   4.079  -5.411
   51   2HZ   LYS   6           HZ2      LYS   6 -18.482   5.465  -5.997
   52   3HZ   LYS   6           HZ1      LYS   6 -17.114   5.632  -4.996
   53    H    GLN   7           HN       GLN   7 -16.035  -0.128   0.634
   54    HA   GLN   7           HA       GLN   7 -13.949  -0.959   0.601
   55   1HB   GLN   7           HB2      GLN   7 -14.788  -1.363  -1.840
   56   2HB   GLN   7           HB3      GLN   7 -13.575  -0.161  -2.262
   57   1HG   GLN   7           HG2      GLN   7 -11.955  -1.669  -2.118
   58   2HG   GLN   7           HG3      GLN   7 -12.422  -2.062  -0.466
   59   1HE2  GLN   7          HE22      GLN   7 -13.232  -5.286  -1.496
   60   2HE2  GLN   7          HE21      GLN   7 -12.394  -4.249  -0.396
   61    H    GLU   8           HN       GLU   8 -14.327   1.970   1.133
   62    HA   GLU   8           HA       GLU   8 -11.864   3.219   0.269
   63   1HB   GLU   8           HB2      GLU   8 -14.347   4.086   1.455
   64   2HB   GLU   8           HB3      GLU   8 -13.010   4.680   2.429
   65   1HG   GLU   8           HG2      GLU   8 -12.008   5.486   0.210
   66   2HG   GLU   8           HG3      GLU   8 -13.624   5.227  -0.449
   67    H    GLU   9           HN       GLU   9 -12.531   0.948   2.634
   68    HA   GLU   9           HA       GLU   9 -10.779   2.014   4.706
   69   1HB   GLU   9           HB2      GLU   9 -12.257  -0.613   4.474
   70   2HB   GLU   9           HB3      GLU   9 -11.228  -0.183   5.833
   71   1HG   GLU   9           HG2      GLU   9 -12.659   1.684   6.379
   72   2HG   GLU   9           HG3      GLU   9 -13.654   1.374   4.956
   73    H    LEU  10           HN       LEU  10 -10.800  -0.577   2.304
   74    HA   LEU  10           HA       LEU  10  -8.264  -1.687   2.837
   75   1HB   LEU  10           HB2      LEU  10  -9.620  -2.963   1.443
   76   2HB   LEU  10           HB3      LEU  10 -10.071  -1.597   0.444
   77    HG   LEU  10           HG       LEU  10  -7.766  -1.619  -0.533
   78   1HD1  LEU  10          HD11      LEU  10  -7.459  -3.812   1.433
   79   2HD1  LEU  10          HD12      LEU  10  -6.702  -4.019  -0.145
   80   3HD1  LEU  10          HD13      LEU  10  -6.287  -2.628   0.856
   81   1HD2  LEU  10          HD23      LEU  10  -9.585  -3.991  -0.778
   82   2HD2  LEU  10          HD21      LEU  10  -9.385  -2.628  -1.876
   83   3HD2  LEU  10          HD22      LEU  10  -8.123  -3.851  -1.754
   84    H    VAL  11           HN       VAL  11  -9.299   1.144   1.052
   85    HA   VAL  11           HA       VAL  11  -6.739   1.654  -0.160
   86    HB   VAL  11           HB       VAL  11  -9.275   3.265   0.052
   87   1HG1  VAL  11          HG11      VAL  11  -6.571   4.226  -0.842
   88   2HG1  VAL  11          HG12      VAL  11  -8.049   4.882  -1.543
   89   3HG1  VAL  11          HG13      VAL  11  -7.752   5.039   0.187
   90   1HG2  VAL  11          HG23      VAL  11  -8.890   1.344  -1.606
   91   2HG2  VAL  11          HG21      VAL  11  -9.480   2.879  -2.244
   92   3HG2  VAL  11          HG22      VAL  11  -7.780   2.448  -2.420
   93    H    LYS  12           HN       LYS  12  -8.477   3.266   2.597
   94    HA   LYS  12           HA       LYS  12  -6.459   5.044   3.358
   95   1HB   LYS  12           HB2      LYS  12  -8.692   3.703   4.807
   96   2HB   LYS  12           HB3      LYS  12  -7.410   4.360   5.814
   97   1HG   LYS  12           HG2      LYS  12  -9.076   6.020   5.645
   98   2HG   LYS  12           HG3      LYS  12  -7.732   6.549   4.628
   99   1HD   LYS  12           HD2      LYS  12  -9.051   5.253   2.784
  100   2HD   LYS  12           HD3      LYS  12 -10.424   5.520   3.855
  101   1HE   LYS  12           HE2      LYS  12  -8.746   7.892   3.311
  102   2HE   LYS  12           HE3      LYS  12  -9.652   7.262   1.934
  103   1HZ   LYS  12           HZ1      LYS  12 -11.104   7.580   4.456
  104   2HZ   LYS  12           HZ3      LYS  12 -10.675   9.001   3.615
  105   3HZ   LYS  12           HZ2      LYS  12 -11.629   7.814   2.852
  106    H    ALA  13           HN       ALA  13  -6.901   1.686   4.196
  107    HA   ALA  13           HA       ALA  13  -4.707   1.381   5.969
  108   1HB   ALA  13           HB2      ALA  13  -6.530  -0.233   5.879
  109   2HB   ALA  13           HB3      ALA  13  -6.065  -0.691   4.240
  110   3HB   ALA  13           HB1      ALA  13  -4.983  -1.026   5.592
  111    H    PHE  14           HN       PHE  14  -5.025   0.654   2.485
  112    HA   PHE  14           HA       PHE  14  -2.484  -0.301   1.915
  113   1HB   PHE  14           HB2      PHE  14  -4.507  -0.122   0.365
  114   2HB   PHE  14           HB3      PHE  14  -4.034   1.525   0.078
  115    HD1  PHE  14           HD2      PHE  14  -3.004  -1.979  -0.364
  116    HD2  PHE  14           HD1      PHE  14  -2.231   2.084  -1.359
  117    HE1  PHE  14           HE2      PHE  14  -1.461  -2.708  -2.121
  118    HE2  PHE  14           HE1      PHE  14  -0.681   1.352  -3.131
  119    HZ   PHE  14           HZ       PHE  14  -0.305  -1.045  -3.502
  120    H    LYS  15           HN       LYS  15  -3.563   3.060   1.398
  121    HA   LYS  15           HA       LYS  15  -1.166   4.287   0.820
  122   1HB   LYS  15           HB2      LYS  15  -3.253   5.586   2.589
  123   2HB   LYS  15           HB3      LYS  15  -2.172   6.368   1.443
  124   1HG   LYS  15           HG2      LYS  15  -4.235   4.409   0.517
  125   2HG   LYS  15           HG3      LYS  15  -4.663   6.082   0.839
  126   1HD   LYS  15           HD2      LYS  15  -2.290   6.012  -0.758
  127   2HD   LYS  15           HD3      LYS  15  -3.481   4.929  -1.470
  128   1HE   LYS  15           HE2      LYS  15  -3.619   7.242  -2.373
  129   2HE   LYS  15           HE3      LYS  15  -5.109   6.703  -1.596
  130   1HZ   LYS  15           HZ1      LYS  15  -3.830   7.911   0.450
  131   2HZ   LYS  15           HZ3      LYS  15  -3.321   8.863  -0.869
  132   3HZ   LYS  15           HZ2      LYS  15  -4.982   8.661  -0.550
  133    H    ALA  16           HN       ALA  16  -2.520   3.710   4.057
  134    HA   ALA  16           HA       ALA  16  -0.535   5.011   5.561
  135   1HB   ALA  16           HB1      ALA  16  -2.717   4.393   6.482
  136   2HB   ALA  16           HB2      ALA  16  -2.276   2.688   6.396
  137   3HB   ALA  16           HB3      ALA  16  -1.398   3.773   7.474
  138    H    LEU  17           HN       LEU  17  -0.820   1.549   4.669
  139    HA   LEU  17           HA       LEU  17   1.415   0.564   6.011
  140   1HB   LEU  17           HB2      LEU  17   0.256  -0.305   3.354
  141   2HB   LEU  17           HB3      LEU  17   1.472  -1.212   4.225
  142    HG   LEU  17           HG       LEU  17  -1.416  -0.808   4.889
  143   1HD1  LEU  17          HD11      LEU  17   0.391  -3.214   4.756
  144   2HD1  LEU  17          HD12      LEU  17  -1.319  -3.247   5.195
  145   3HD1  LEU  17          HD13      LEU  17  -0.834  -2.739   3.577
  146   1HD2  LEU  17          HD21      LEU  17   0.771  -1.474   6.835
  147   2HD2  LEU  17          HD22      LEU  17  -0.479  -0.239   6.970
  148   3HD2  LEU  17          HD23      LEU  17  -0.907  -1.942   7.093
  149    H    LEU  18           HN       LEU  18   1.230   2.001   2.776
  150    HA   LEU  18           HA       LEU  18   3.991   1.629   2.134
  151   1HB   LEU  18           HB2      LEU  18   2.100   3.699   1.024
  152   2HB   LEU  18           HB3      LEU  18   3.597   3.154   0.295
  153    HG   LEU  18           HG       LEU  18   1.307   1.272   0.774
  154   1HD1  LEU  18          HD11      LEU  18   1.517   3.446  -1.152
  155   2HD1  LEU  18          HD12      LEU  18   1.205   1.871  -1.888
  156   3HD1  LEU  18          HD13      LEU  18   0.115   2.502  -0.650
  157   1HD2  LEU  18          HD21      LEU  18   3.621   1.227  -1.152
  158   2HD2  LEU  18          HD22      LEU  18   3.473   0.250   0.314
  159   3HD2  LEU  18          HD23      LEU  18   2.356   0.007  -1.031
  160    H    LYS  19           HN       LYS  19   2.140   4.450   3.281
  161    HA   LYS  19           HA       LYS  19   4.299   6.237   3.382
  162   1HB   LYS  19           HB2      LYS  19   1.653   6.235   4.841
  163   2HB   LYS  19           HB3      LYS  19   2.791   7.580   4.896
  164   1HG   LYS  19           HG2      LYS  19   2.603   7.916   2.513
  165   2HG   LYS  19           HG3      LYS  19   1.604   6.467   2.349
  166   1HD   LYS  19           HD2      LYS  19   0.084   8.253   2.293
  167   2HD   LYS  19           HD3      LYS  19  -0.047   7.597   3.924
  168   1HE   LYS  19           HE2      LYS  19   1.914   9.786   3.530
  169   2HE   LYS  19           HE3      LYS  19   0.215  10.227   3.383
  170   1HZ   LYS  19           HZ2      LYS  19   0.390   8.663   5.653
  171   2HZ   LYS  19           HZ1      LYS  19   1.737   9.707   5.721
  172   3HZ   LYS  19           HZ3      LYS  19   0.164  10.350   5.577
  173    H    GLU  20           HN       GLU  20   3.575   3.634   5.507
  174    HA   GLU  20           HA       GLU  20   4.905   4.670   7.849
  175   1HB   GLU  20           HB2      GLU  20   3.995   1.918   7.011
  176   2HB   GLU  20           HB3      GLU  20   4.976   2.148   8.448
  177   1HG   GLU  20           HG2      GLU  20   2.975   3.991   8.809
  178   2HG   GLU  20           HG3      GLU  20   2.135   2.675   7.995
  179    H    GLU  21           HN       GLU  21   5.924   3.215   4.881
  180    HA   GLU  21           HA       GLU  21   7.937   2.672   3.991
  181   1HB   GLU  21           HB2      GLU  21   9.195   4.048   6.376
  182   2HB   GLU  21           HB3      GLU  21   9.938   3.742   4.816
  183   1HG   GLU  21           HG2      GLU  21   8.684   5.386   3.746
  184   2HG   GLU  21           HG3      GLU  21   7.480   5.446   5.023
  185    H    LYS  22           HN       LYS  22   7.037   0.539   4.731
  186    HA   LYS  22           HA       LYS  22   8.899  -0.839   6.569
  187   1HB   LYS  22           HB2      LYS  22   6.926  -0.642   7.802
  188   2HB   LYS  22           HB3      LYS  22   5.901  -0.869   6.398
  189   1HG   LYS  22           HG2      LYS  22   5.678  -2.768   7.758
  190   2HG   LYS  22           HG3      LYS  22   6.610  -3.269   6.360
  191   1HD   LYS  22           HD2      LYS  22   8.680  -2.928   7.773
  192   2HD   LYS  22           HD3      LYS  22   7.603  -2.696   9.149
  193   1HE   LYS  22           HE2      LYS  22   7.736  -4.915   9.424
  194   2HE   LYS  22           HE3      LYS  22   6.638  -5.015   8.052
  195   1HZ   LYS  22           HZ1      LYS  22   9.452  -4.783   7.367
  196   2HZ   LYS  22           HZ3      LYS  22   9.029  -6.224   8.164
  197   3HZ   LYS  22           HZ2      LYS  22   8.250  -5.795   6.711
  198    H    PHE  23           HN       PHE  23   6.456  -1.451   4.056
  199    HA   PHE  23           HA       PHE  23   7.534  -4.040   3.411
  200   1HB   PHE  23           HB2      PHE  23   5.377  -2.438   2.023
  201   2HB   PHE  23           HB3      PHE  23   5.659  -4.178   1.874
  202    HD1  PHE  23           HD2      PHE  23   5.425  -5.624   3.922
  203    HD2  PHE  23           HD1      PHE  23   4.087  -1.583   3.850
  204    HE1  PHE  23           HE2      PHE  23   4.045  -6.054   5.904
  205    HE2  PHE  23           HE1      PHE  23   2.707  -2.015   5.842
  206    HZ   PHE  23           HZ       PHE  23   2.689  -4.250   6.872
  207    H    SER  24           HN       SER  24   8.800  -4.625   1.756
  208    HA   SER  24           HA       SER  24   9.780  -2.528  -0.045
  209   1HB   SER  24           HB2      SER  24  11.584  -4.387  -0.511
  210   2HB   SER  24           HB3      SER  24  11.660  -3.428   0.963
  211    HG   SER  24           HG       SER  24  10.756  -5.129   2.112
  212    H    SER  25           HN       SER  25   7.986  -5.486  -0.068
  213    HA   SER  25           HA       SER  25   7.801  -5.284  -3.007
  214   1HB   SER  25           HB2      SER  25   7.483  -7.875  -2.907
  215   2HB   SER  25           HB3      SER  25   9.110  -7.208  -2.851
  216    HG   SER  25           HG       SER  25   8.176  -7.353  -0.354
  217    H    GLN  26           HN       GLN  26   5.874  -6.420  -3.868
  218    HA   GLN  26           HA       GLN  26   3.500  -5.365  -2.761
  219   1HB   GLN  26           HB2      GLN  26   3.529  -7.663  -4.705
  220   2HB   GLN  26           HB3      GLN  26   2.421  -6.328  -4.590
  221   1HG   GLN  26           HG2      GLN  26   4.239  -4.802  -5.323
  222   2HG   GLN  26           HG3      GLN  26   5.251  -6.220  -5.575
  223   1HE2  GLN  26          HE22      GLN  26   3.476  -5.102  -8.722
  224   2HE2  GLN  26          HE21      GLN  26   4.313  -4.216  -7.498
  225    H    GLY  27           HN       GLY  27   4.402  -8.795  -3.142
  226   1HA   GLY  27           HA1      GLY  27   2.464 -10.158  -1.883
  227   2HA   GLY  27           HA2      GLY  27   4.144 -10.611  -1.712
  228    H    GLU  28           HN       GLU  28   4.975  -8.406  -0.077
  229    HA   GLU  28           HA       GLU  28   4.288  -9.397   2.482
  230   1HB   GLU  28           HB2      GLU  28   5.574  -6.730   1.868
  231   2HB   GLU  28           HB3      GLU  28   5.675  -7.643   3.368
  232   1HG   GLU  28           HG2      GLU  28   6.927  -9.400   2.221
  233   2HG   GLU  28           HG3      GLU  28   6.825  -8.491   0.716
  234    H    ILE  29           HN       ILE  29   3.328  -6.377   0.805
  235    HA   ILE  29           HA       ILE  29   1.663  -5.524   2.983
  236    HB   ILE  29           HB       ILE  29   2.127  -3.597   2.033
  237   1HG1  ILE  29          HG12      ILE  29   0.079  -4.344  -0.058
  238   2HG1  ILE  29          HG13      ILE  29  -0.269  -3.655   1.532
  239   1HG2  ILE  29          HG22      ILE  29   3.772  -4.585   0.535
  240   2HG2  ILE  29          HG23      ILE  29   2.510  -4.865  -0.662
  241   3HG2  ILE  29          HG21      ILE  29   2.945  -3.222  -0.212
  242   1HD1  ILE  29          HD11      ILE  29   1.519  -1.859   0.502
  243   2HD1  ILE  29          HD12      ILE  29   0.613  -2.353  -0.929
  244   3HD1  ILE  29          HD13      ILE  29  -0.236  -1.693   0.470
  245    H    VAL  30           HN       VAL  30   1.226  -7.695   0.375
  246    HA   VAL  30           HA       VAL  30  -1.626  -7.601   0.123
  247    HB   VAL  30           HB       VAL  30   0.201  -9.990  -0.324
  248   1HG1  VAL  30          HG13      VAL  30  -2.178 -10.555  -0.130
  249   2HG1  VAL  30          HG11      VAL  30  -2.539  -9.408  -1.415
  250   3HG1  VAL  30          HG12      VAL  30  -1.559 -10.832  -1.755
  251   1HG2  VAL  30          HG23      VAL  30   0.476  -7.702  -1.692
  252   2HG2  VAL  30          HG21      VAL  30   0.700  -9.287  -2.419
  253   3HG2  VAL  30          HG22      VAL  30  -0.824  -8.439  -2.618
  254    H    ALA  31           HN       ALA  31   0.609  -9.693   1.932
  255    HA   ALA  31           HA       ALA  31  -1.357 -11.062   3.443
  256   1HB   ALA  31           HB2      ALA  31   0.868 -11.978   3.141
  257   2HB   ALA  31           HB3      ALA  31   1.570 -10.637   4.048
  258   3HB   ALA  31           HB1      ALA  31   0.512 -11.793   4.857
  259    H    ALA  32           HN       ALA  32   0.314  -8.014   3.918
  260    HA   ALA  32           HA       ALA  32  -0.207  -7.630   6.661
  261   1HB   ALA  32           HB3      ALA  32   1.419  -6.306   5.354
  262   2HB   ALA  32           HB1      ALA  32   0.075  -5.484   4.562
  263   3HB   ALA  32           HB2      ALA  32   0.313  -5.312   6.299
  264    H    LEU  33           HN       LEU  33  -2.042  -6.501   3.790
  265    HA   LEU  33           HA       LEU  33  -4.134  -5.379   5.388
  266   1HB   LEU  33           HB2      LEU  33  -4.120  -6.009   2.441
  267   2HB   LEU  33           HB3      LEU  33  -5.390  -5.119   3.279
  268    HG   LEU  33           HG       LEU  33  -2.510  -4.190   3.224
  269   1HD1  LEU  33          HD13      LEU  33  -4.593  -3.964   1.171
  270   2HD1  LEU  33          HD11      LEU  33  -3.803  -2.444   1.605
  271   3HD1  LEU  33          HD12      LEU  33  -2.844  -3.817   1.038
  272   1HD2  LEU  33          HD23      LEU  33  -3.881  -3.277   5.022
  273   2HD2  LEU  33          HD21      LEU  33  -3.473  -2.040   3.839
  274   3HD2  LEU  33          HD22      LEU  33  -5.083  -2.756   3.844
  275    H    GLN  34           HN       GLN  34  -3.507  -8.574   4.133
  276    HA   GLN  34           HA       GLN  34  -6.138  -9.615   4.400
  277   1HB   GLN  34           HB2      GLN  34  -3.410 -10.865   4.368
  278   2HB   GLN  34           HB3      GLN  34  -4.816 -11.838   4.767
  279   1HG   GLN  34           HG2      GLN  34  -5.795 -11.475   2.641
  280   2HG   GLN  34           HG3      GLN  34  -4.629 -10.215   2.240
  281   1HE2  GLN  34          HE22      GLN  34  -3.331 -12.956   0.344
  282   2HE2  GLN  34          HE21      GLN  34  -4.504 -11.685   0.290
  283    H    GLU  35           HN       GLU  35  -3.434  -9.307   6.666
  284    HA   GLU  35           HA       GLU  35  -4.776 -10.579   8.860
  285   1HB   GLU  35           HB2      GLU  35  -2.323  -8.807   8.738
  286   2HB   GLU  35           HB3      GLU  35  -2.893  -9.582  10.210
  287   1HG   GLU  35           HG2      GLU  35  -2.111 -11.077   7.712
  288   2HG   GLU  35           HG3      GLU  35  -1.023 -10.766   9.064
  289    H    GLN  36           HN       GLN  36  -4.661  -7.333   7.588
  290    HA   GLN  36           HA       GLN  36  -5.527  -5.890   9.870
  291   1HB   GLN  36           HB2      GLN  36  -5.633  -5.357   6.910
  292   2HB   GLN  36           HB3      GLN  36  -6.308  -4.233   8.066
  293   1HG   GLN  36           HG2      GLN  36  -3.571  -5.072   8.689
  294   2HG   GLN  36           HG3      GLN  36  -3.727  -4.228   7.153
  295   1HE2  GLN  36          HE22      GLN  36  -4.003  -1.101   8.594
  296   2HE2  GLN  36          HE21      GLN  36  -3.791  -2.077   7.185
  297    H    GLY  37           HN       GLY  37  -7.385  -6.924   6.986
  298   1HA   GLY  37           HA1      GLY  37  -9.523  -8.120   8.137
  299   2HA   GLY  37           HA2      GLY  37  -9.908  -6.417   8.327
  300    H    PHE  38           HN       PHE  38  -8.200  -7.809   5.555
  301    HA   PHE  38           HA       PHE  38 -10.612  -7.423   3.885
  302   1HB   PHE  38           HB2      PHE  38  -7.850  -6.635   2.956
  303   2HB   PHE  38           HB3      PHE  38  -9.399  -6.288   2.202
  304    HD1  PHE  38           HD2      PHE  38 -10.854  -4.553   3.109
  305    HD2  PHE  38           HD1      PHE  38  -7.026  -5.309   4.801
  306    HE1  PHE  38           HE2      PHE  38 -10.945  -2.400   4.286
  307    HE2  PHE  38           HE1      PHE  38  -7.106  -3.162   5.975
  308    HZ   PHE  38           HZ       PHE  38  -9.061  -1.707   5.717
  309    H    ASP  39           HN       ASP  39 -11.113  -9.404   3.214
  310    HA   ASP  39           HA       ASP  39  -9.039 -11.404   2.831
  311   1HB   ASP  39           HB2      ASP  39 -11.360 -11.652   4.093
  312   2HB   ASP  39           HB3      ASP  39 -11.911 -12.070   2.480
  313    H    ASN  40           HN       ASN  40 -10.584  -9.283   0.855
  314    HA   ASN  40           HA       ASN  40 -10.510 -11.033  -1.494
  315   1HB   ASN  40           HB2      ASN  40 -12.472  -9.359  -0.824
  316   2HB   ASN  40           HB3      ASN  40 -11.468  -8.204  -1.689
  317   1HD2  ASN  40          HD22      ASN  40 -12.489  -9.306  -4.814
  318   2HD2  ASN  40          HD21      ASN  40 -11.692  -8.118  -3.840
  319    H    ILE  41           HN       ILE  41  -8.091 -10.119  -0.203
  320    HA   ILE  41           HA       ILE  41  -6.962  -8.306  -2.226
  321    HB   ILE  41           HB       ILE  41  -6.421  -8.698   0.674
  322   1HG1  ILE  41          HG12      ILE  41  -6.305  -6.290   0.669
  323   2HG1  ILE  41          HG13      ILE  41  -6.172  -6.255  -1.088
  324   1HG2  ILE  41          HG22      ILE  41  -4.264  -7.952  -1.287
  325   2HG2  ILE  41          HG23      ILE  41  -4.205  -7.534   0.424
  326   3HG2  ILE  41          HG21      ILE  41  -4.236  -9.226  -0.065
  327   1HD1  ILE  41          HD13      ILE  41  -8.593  -7.417   0.193
  328   2HD1  ILE  41          HD11      ILE  41  -8.418  -5.673   0.019
  329   3HD1  ILE  41          HD12      ILE  41  -8.395  -6.707  -1.411
  330    H    ASN  42           HN       ASN  42  -5.289  -8.858  -3.409
  331    HA   ASN  42           HA       ASN  42  -3.723 -11.251  -2.884
  332   1HB   ASN  42           HB2      ASN  42  -4.016 -12.154  -5.172
  333   2HB   ASN  42           HB3      ASN  42  -5.505 -12.189  -4.238
  334   1HD2  ASN  42          HD22      ASN  42  -6.747 -11.066  -7.382
  335   2HD2  ASN  42          HD21      ASN  42  -6.336 -12.491  -6.490
  336    H    GLN  43           HN       GLN  43  -2.039 -11.419  -4.872
  337    HA   GLN  43           HA       GLN  43  -0.372  -9.189  -4.691
  338   1HB   GLN  43           HB2      GLN  43   0.273 -11.546  -5.352
  339   2HB   GLN  43           HB3      GLN  43  -0.326 -11.187  -6.963
  340   1HG   GLN  43           HG2      GLN  43   1.501  -9.134  -6.092
  341   2HG   GLN  43           HG3      GLN  43   2.239 -10.722  -5.926
  342   1HE2  GLN  43          HE22      GLN  43   2.557 -11.287  -9.358
  343   2HE2  GLN  43          HE21      GLN  43   2.627 -11.953  -7.761
  344    H    SER  44           HN       SER  44  -2.747 -10.006  -7.188
  345    HA   SER  44           HA       SER  44  -2.083  -7.990  -9.030
  346   1HB   SER  44           HB2      SER  44  -4.769  -9.320  -8.552
  347   2HB   SER  44           HB3      SER  44  -4.275  -8.467 -10.007
  348    HG   SER  44           HG       SER  44  -2.807 -10.055 -10.470
  349    H    LYS  45           HN       LYS  45  -4.385  -8.014  -6.313
  350    HA   LYS  45           HA       LYS  45  -5.521  -5.460  -6.744
  351   1HB   LYS  45           HB2      LYS  45  -6.074  -7.481  -5.038
  352   2HB   LYS  45           HB3      LYS  45  -5.199  -6.435  -3.935
  353   1HG   LYS  45           HG2      LYS  45  -7.300  -5.674  -3.579
  354   2HG   LYS  45           HG3      LYS  45  -6.856  -4.615  -4.920
  355   1HD   LYS  45           HD2      LYS  45  -7.963  -6.144  -6.485
  356   2HD   LYS  45           HD3      LYS  45  -8.384  -7.218  -5.149
  357   1HE   LYS  45           HE2      LYS  45 -10.281  -5.843  -5.763
  358   2HE   LYS  45           HE3      LYS  45  -9.727  -5.430  -4.142
  359   1HZ   LYS  45           HZ1      LYS  45  -8.862  -3.911  -6.540
  360   2HZ   LYS  45           HZ3      LYS  45 -10.290  -3.523  -5.694
  361   3HZ   LYS  45           HZ2      LYS  45  -8.780  -3.435  -4.907
  362    H    VAL  46           HN       VAL  46  -2.678  -6.507  -4.960
  363    HA   VAL  46           HA       VAL  46  -2.028  -3.969  -3.807
  364    HB   VAL  46           HB       VAL  46  -0.598  -6.600  -4.021
  365   1HG1  VAL  46          HG12      VAL  46   1.123  -4.830  -4.089
  366   2HG1  VAL  46          HG13      VAL  46   0.453  -4.161  -2.597
  367   3HG1  VAL  46          HG11      VAL  46   1.164  -5.769  -2.608
  368   1HG2  VAL  46          HG22      VAL  46  -2.176  -5.120  -1.987
  369   2HG2  VAL  46          HG23      VAL  46  -2.135  -6.842  -2.349
  370   3HG2  VAL  46          HG21      VAL  46  -0.837  -6.106  -1.410
  371    H    SER  47           HN       SER  47  -0.963  -5.734  -6.687
  372    HA   SER  47           HA       SER  47   1.017  -3.846  -7.503
  373   1HB   SER  47           HB2      SER  47   1.058  -6.138  -8.323
  374   2HB   SER  47           HB3      SER  47  -0.519  -5.932  -9.077
  375    HG   SER  47           HG       SER  47   1.905  -5.381 -10.084
  376    H    ARG  48           HN       ARG  48  -2.446  -4.230  -8.116
  377    HA   ARG  48           HA       ARG  48  -2.658  -2.263 -10.155
  378   1HB   ARG  48           HB2      ARG  48  -4.626  -3.630  -8.351
  379   2HB   ARG  48           HB3      ARG  48  -5.140  -2.216  -9.256
  380   1HG   ARG  48           HG2      ARG  48  -4.315  -3.369 -11.338
  381   2HG   ARG  48           HG3      ARG  48  -4.108  -4.821 -10.359
  382   1HD   ARG  48           HD2      ARG  48  -6.232  -4.865 -11.533
  383   2HD   ARG  48           HD3      ARG  48  -6.489  -4.784  -9.789
  384    HE   ARG  48           HE       ARG  48  -6.666  -2.214 -10.362
  385   1HH1  ARG  48          HH12      ARG  48  -8.007  -4.919 -12.141
  386   2HH1  ARG  48          HH11      ARG  48  -9.353  -4.003 -12.759
  387   1HH2  ARG  48          HH22      ARG  48  -8.406  -1.023 -11.149
  388   2HH2  ARG  48          HH21      ARG  48  -9.584  -1.772 -12.197
  389    H    MET  49           HN       MET  49  -3.243  -2.101  -6.637
  390    HA   MET  49           HA       MET  49  -3.865   0.662  -6.581
  391   1HB   MET  49           HB2      MET  49  -3.047  -1.332  -4.496
  392   2HB   MET  49           HB3      MET  49  -3.128   0.376  -4.091
  393   1HG   MET  49           HG2      MET  49  -5.475   0.420  -4.844
  394   2HG   MET  49           HG3      MET  49  -5.386  -1.316  -5.133
  395   1HE   MET  49           HE3      MET  49  -5.544  -3.051  -3.608
  396   2HE   MET  49           HE1      MET  49  -4.131  -2.787  -2.586
  397   3HE   MET  49           HE2      MET  49  -5.724  -2.979  -1.855
  398    H    LEU  50           HN       LEU  50  -0.790  -1.091  -6.412
  399    HA   LEU  50           HA       LEU  50   0.843   1.076  -5.593
  400   1HB   LEU  50           HB2      LEU  50   1.342  -1.551  -6.946
  401   2HB   LEU  50           HB3      LEU  50   2.617  -0.338  -7.011
  402    HG   LEU  50           HG       LEU  50   1.377  -1.097  -4.398
  403   1HD1  LEU  50          HD12      LEU  50   2.101  -3.190  -5.444
  404   2HD1  LEU  50          HD13      LEU  50   3.698  -2.493  -5.708
  405   3HD1  LEU  50          HD11      LEU  50   3.112  -2.764  -4.066
  406   1HD2  LEU  50          HD22      LEU  50   3.911   0.204  -5.268
  407   2HD2  LEU  50          HD23      LEU  50   2.677   0.785  -4.144
  408   3HD2  LEU  50          HD21      LEU  50   3.753  -0.531  -3.672
  409    H    THR  51           HN       THR  51   0.027  -0.146  -8.841
  410    HA   THR  51           HA       THR  51   1.464   1.872 -10.253
  411    HB   THR  51           HB       THR  51  -0.841   0.231 -11.332
  412    HG1  THR  51           HG1      THR  51   0.368  -1.394 -10.738
  413   1HG2  THR  51          HG21      THR  51   1.367   1.774 -12.571
  414   2HG2  THR  51          HG23      THR  51   0.903   0.247 -13.323
  415   3HG2  THR  51          HG22      THR  51  -0.294   1.521 -13.109
  416    H    LYS  52           HN       LYS  52  -1.928   1.490  -9.308
  417    HA   LYS  52           HA       LYS  52  -3.023   3.696 -10.640
  418   1HB   LYS  52           HB2      LYS  52  -4.302   1.839  -9.581
  419   2HB   LYS  52           HB3      LYS  52  -3.900   2.488  -7.995
  420   1HG   LYS  52           HG2      LYS  52  -5.254   4.277  -9.951
  421   2HG   LYS  52           HG3      LYS  52  -6.199   2.994  -9.199
  422   1HD   LYS  52           HD2      LYS  52  -5.195   3.907  -6.972
  423   2HD   LYS  52           HD3      LYS  52  -4.881   5.363  -7.918
  424   1HE   LYS  52           HE2      LYS  52  -7.568   4.044  -7.537
  425   2HE   LYS  52           HE3      LYS  52  -7.011   5.518  -6.746
  426   1HZ   LYS  52           HZ2      LYS  52  -6.680   5.830  -9.520
  427   2HZ   LYS  52           HZ1      LYS  52  -8.263   5.262  -9.242
  428   3HZ   LYS  52           HZ3      LYS  52  -7.721   6.681  -8.477
  429    H    PHE  53           HN       PHE  53  -1.987   3.455  -7.233
  430    HA   PHE  53           HA       PHE  53  -2.341   6.241  -6.722
  431   1HB   PHE  53           HB2      PHE  53  -1.012   4.013  -5.167
  432   2HB   PHE  53           HB3      PHE  53  -1.063   5.665  -4.575
  433    HD1  PHE  53           HD2      PHE  53  -3.689   6.622  -5.122
  434    HD2  PHE  53           HD1      PHE  53  -2.496   2.703  -3.953
  435    HE1  PHE  53           HE2      PHE  53  -5.917   6.230  -4.173
  436    HE2  PHE  53           HE1      PHE  53  -4.722   2.307  -2.997
  437    HZ   PHE  53           HZ       PHE  53  -6.439   4.068  -3.111
  438    H    GLY  54           HN       GLY  54   0.425   4.264  -7.659
  439   1HA   GLY  54           HA1      GLY  54   2.373   5.010  -8.708
  440   2HA   GLY  54           HA2      GLY  54   1.908   6.667  -8.367
  441    H    ALA  55           HN       ALA  55   2.778   3.730  -6.536
  442    HA   ALA  55           HA       ALA  55   3.985   5.297  -4.425
  443   1HB   ALA  55           HB3      ALA  55   2.752   3.166  -4.014
  444   2HB   ALA  55           HB1      ALA  55   4.088   2.309  -4.781
  445   3HB   ALA  55           HB2      ALA  55   4.364   3.228  -3.303
  446    H    VAL  56           HN       VAL  56   6.113   5.480  -3.929
  447    HA   VAL  56           HA       VAL  56   8.077   4.713  -5.999
  448    HB   VAL  56           HB       VAL  56   9.485   6.554  -5.024
  449   1HG1  VAL  56          HG12      VAL  56   8.108   6.875  -7.046
  450   2HG1  VAL  56          HG13      VAL  56   6.774   7.425  -6.032
  451   3HG1  VAL  56          HG11      VAL  56   8.265   8.359  -6.103
  452   1HG2  VAL  56          HG22      VAL  56   6.951   7.209  -3.499
  453   2HG2  VAL  56          HG23      VAL  56   8.490   6.702  -2.802
  454   3HG2  VAL  56          HG21      VAL  56   8.364   8.254  -3.625
  455    H    ARG  57           HN       ARG  57  10.279   4.173  -5.187
  456    HA   ARG  57           HA       ARG  57  10.180   2.778  -2.576
  457   1HB   ARG  57           HB2      ARG  57  11.703   2.057  -5.076
  458   2HB   ARG  57           HB3      ARG  57  12.014   1.326  -3.514
  459   1HG   ARG  57           HG2      ARG  57   9.749   0.435  -3.463
  460   2HG   ARG  57           HG3      ARG  57   9.415   1.189  -5.020
  461   1HD   ARG  57           HD2      ARG  57   9.933  -1.193  -5.255
  462   2HD   ARG  57           HD3      ARG  57  11.108  -0.180  -6.094
  463    HE   ARG  57           HE       ARG  57  12.507  -0.497  -3.982
  464   1HH1  ARG  57          HH12      ARG  57  10.305  -2.942  -5.202
  465   2HH1  ARG  57          HH11      ARG  57  11.190  -4.257  -4.482
  466   1HH2  ARG  57          HH22      ARG  57  13.634  -2.177  -3.062
  467   2HH2  ARG  57          HH21      ARG  57  13.096  -3.820  -3.257
  468    H    THR  58           HN       THR  58  11.763   3.202  -1.111
  469    HA   THR  58           HA       THR  58  14.241   4.447  -1.852
  470    HB   THR  58           HB       THR  58  12.467   6.336  -1.891
  471    HG1  THR  58           HG1      THR  58  14.855   6.544  -1.718
  472   1HG2  THR  58          HG21      THR  58  11.667   5.566   0.507
  473   2HG2  THR  58          HG23      THR  58  12.940   6.677   1.009
  474   3HG2  THR  58          HG22      THR  58  11.621   7.251  -0.010
  475    H    ARG  59           HN       ARG  59  15.183   5.494   0.405
  476    HA   ARG  59           HA       ARG  59  15.494   3.208   2.147
  477   1HB   ARG  59           HB2      ARG  59  16.844   5.820   1.695
  478   2HB   ARG  59           HB3      ARG  59  16.900   5.219   3.338
  479   1HG   ARG  59           HG2      ARG  59  17.752   3.023   2.278
  480   2HG   ARG  59           HG3      ARG  59  18.076   4.027   0.866
  481   1HD   ARG  59           HD2      ARG  59  19.428   5.530   2.266
  482   2HD   ARG  59           HD3      ARG  59  19.138   4.488   3.658
  483    HE   ARG  59           HE       ARG  59  20.245   2.903   1.641
  484   1HH1  ARG  59          HH12      ARG  59  21.147   5.617   3.669
  485   2HH1  ARG  59          HH11      ARG  59  22.842   5.201   3.696
  486   1HH2  ARG  59          HH22      ARG  59  22.470   2.358   1.662
  487   2HH2  ARG  59          HH21      ARG  59  23.599   3.356   2.544
  488    H    ASN  60           HN       ASN  60  14.673   2.994   4.212
  489    HA   ASN  60           HA       ASN  60  12.777   5.055   5.118
  490   1HB   ASN  60           HB2      ASN  60  11.741   3.408   6.497
  491   2HB   ASN  60           HB3      ASN  60  12.004   2.676   4.924
  492   1HD2  ASN  60          HD22      ASN  60  12.853   0.160   7.426
  493   2HD2  ASN  60          HD21      ASN  60  11.454   1.037   6.913
  494    H    ALA  61           HN       ALA  61  12.797   4.367   7.880
  495    HA   ALA  61           HA       ALA  61  14.693   6.137   8.888
  496   1HB   ALA  61           HB1      ALA  61  12.644   5.623  10.069
  497   2HB   ALA  61           HB2      ALA  61  13.191   3.973  10.360
  498   3HB   ALA  61           HB3      ALA  61  14.034   5.329  11.111
  499    H    LYS  62           HN       LYS  62  15.033   2.701   8.285
  500    HA   LYS  62           HA       LYS  62  17.730   2.795   9.494
  501   1HB   LYS  62           HB2      LYS  62  15.775   0.507   9.404
  502   2HB   LYS  62           HB3      LYS  62  17.499   0.281   9.677
  503   1HG   LYS  62           HG2      LYS  62  16.936   0.446  11.841
  504   2HG   LYS  62           HG3      LYS  62  16.970   2.178  11.525
  505   1HD   LYS  62           HD2      LYS  62  14.460   1.779  10.834
  506   2HD   LYS  62           HD3      LYS  62  14.635   0.352  11.859
  507   1HE   LYS  62           HE2      LYS  62  15.045   3.238  12.648
  508   2HE   LYS  62           HE3      LYS  62  13.763   2.157  13.187
  509   1HZ   LYS  62           HZ3      LYS  62  15.879   0.756  13.950
  510   2HZ   LYS  62           HZ2      LYS  62  16.543   2.325  14.059
  511   3HZ   LYS  62           HZ1      LYS  62  15.139   1.930  14.939
  512    H    MET  63           HN       MET  63  17.050   3.531   6.795
  513    HA   MET  63           HA       MET  63  17.947   3.358   4.740
  514   1HB   MET  63           HB2      MET  63  19.894   1.299   5.755
  515   2HB   MET  63           HB3      MET  63  20.149   2.551   4.564
  516   1HG   MET  63           HG2      MET  63  20.011   2.832   7.523
  517   2HG   MET  63           HG3      MET  63  21.352   3.207   6.452
  518   1HE   MET  63           HE3      MET  63  19.482   4.768   8.809
  519   2HE   MET  63           HE1      MET  63  20.982   5.581   8.360
  520   3HE   MET  63           HE2      MET  63  19.449   6.448   8.268
  521    H    GLU  64           HN       GLU  64  15.923   1.161   5.602
  522    HA   GLU  64           HA       GLU  64  16.612  -1.052   3.859
  523   1HB   GLU  64           HB2      GLU  64  13.936  -0.455   5.151
  524   2HB   GLU  64           HB3      GLU  64  14.440  -1.973   4.429
  525   1HG   GLU  64           HG2      GLU  64  16.203  -2.168   6.161
  526   2HG   GLU  64           HG3      GLU  64  15.559  -0.713   6.923
  527    H    MET  65           HN       MET  65  16.059  -1.304   1.767
  528    HA   MET  65           HA       MET  65  14.901   0.899   0.312
  529   1HB   MET  65           HB2      MET  65  15.696  -1.889  -0.578
  530   2HB   MET  65           HB3      MET  65  15.171  -0.606  -1.658
  531   1HG   MET  65           HG2      MET  65  17.357   0.213   0.083
  532   2HG   MET  65           HG3      MET  65  17.768  -1.161  -0.940
  533   1HE   MET  65           HE2      MET  65  16.861   2.407  -0.526
  534   2HE   MET  65           HE3      MET  65  17.036   3.161  -2.109
  535   3HE   MET  65           HE1      MET  65  15.560   2.281  -1.709
  536    H    VAL  66           HN       VAL  66  12.785   1.114   1.108
  537    HA   VAL  66           HA       VAL  66  10.937  -1.094   0.472
  538    HB   VAL  66           HB       VAL  66   9.507  -0.356   2.354
  539   1HG1  VAL  66          HG12      VAL  66  12.343  -1.144   2.992
  540   2HG1  VAL  66          HG13      VAL  66  11.059  -1.099   4.197
  541   3HG1  VAL  66          HG11      VAL  66  10.933  -2.188   2.815
  542   1HG2  VAL  66          HG21      VAL  66  11.707   1.655   2.716
  543   2HG2  VAL  66          HG22      VAL  66   9.959   1.893   2.730
  544   3HG2  VAL  66          HG23      VAL  66  10.753   1.101   4.089
  545    H    TYR  67           HN       TYR  67   8.659  -0.397   0.336
  546    HA   TYR  67           HA       TYR  67   8.292   1.605  -1.678
  547   1HB   TYR  67           HB2      TYR  67   6.559  -0.398  -0.273
  548   2HB   TYR  67           HB3      TYR  67   5.764   0.972  -1.025
  549    HD1  TYR  67           HD2      TYR  67   7.254   1.347  -3.507
  550    HD2  TYR  67           HD1      TYR  67   6.003  -2.233  -1.572
  551    HE1  TYR  67           HE2      TYR  67   7.225   0.193  -5.674
  552    HE2  TYR  67           HE1      TYR  67   5.951  -3.402  -3.737
  553    HH   TYR  67           HH       TYR  67   5.824  -1.995  -6.580
  554    H    CYS  68           HN       CYS  68   7.086   3.500  -1.490
  555    HA   CYS  68           HA       CYS  68   5.889   4.304   0.993
  556   1HB   CYS  68           HB2      CYS  68   7.271   6.473   1.062
  557   2HB   CYS  68           HB3      CYS  68   8.035   5.009   1.664
  558    HG   CYS  68           HG       CYS  68   9.682   6.355   0.115
  559    H    LEU  69           HN       LEU  69   4.770   6.376   0.795
  560    HA   LEU  69           HA       LEU  69   3.832   6.730  -1.963
  561   1HB   LEU  69           HB2      LEU  69   2.388   6.276   0.246
  562   2HB   LEU  69           HB3      LEU  69   2.447   8.027   0.326
  563    HG   LEU  69           HG       LEU  69   1.546   8.087  -2.013
  564   1HD1  LEU  69          HD11      LEU  69   2.149   5.364  -1.982
  565   2HD1  LEU  69          HD12      LEU  69   0.390   5.431  -1.895
  566   3HD1  LEU  69          HD13      LEU  69   1.235   6.234  -3.216
  567   1HD2  LEU  69          HD21      LEU  69  -0.122   6.747   0.117
  568   2HD2  LEU  69          HD22      LEU  69   0.099   8.482  -0.117
  569   3HD2  LEU  69          HD23      LEU  69  -0.760   7.533  -1.328
  570    HA   PRO  70           HA       PRO  70   5.853  10.715  -2.053
  571   1HB   PRO  70           HB2      PRO  70   4.600  11.645  -4.334
  572   2HB   PRO  70           HB3      PRO  70   6.058  10.656  -4.297
  573   1HG   PRO  70           HG2      PRO  70   3.356   9.918  -5.092
  574   2HG   PRO  70           HG3      PRO  70   4.882   9.075  -5.384
  575   1HD   PRO  70           HD2      PRO  70   2.862   8.423  -3.488
  576   2HD   PRO  70           HD3      PRO  70   4.410   7.616  -3.745
  577    H    ALA  71           HN       ALA  71   5.320  12.867  -1.663
  578    HA   ALA  71           HA       ALA  71   3.319  13.452   0.067
  579   1HB   ALA  71           HB3      ALA  71   4.962  15.205  -1.713
  580   2HB   ALA  71           HB1      ALA  71   3.728  15.906  -0.665
  581   3HB   ALA  71           HB2      ALA  71   5.049  14.973   0.035
  582    H    GLU  72           HN       GLU  72   1.241  12.993  -0.331
  583    HA   GLU  72           HA       GLU  72  -0.862  13.021  -1.145
  584   1HB   GLU  72           HB2      GLU  72   0.076  15.841  -1.517
  585   2HB   GLU  72           HB3      GLU  72  -1.511  15.378  -2.110
  586   1HG   GLU  72           HG2      GLU  72  -1.634  16.340   0.123
  587   2HG   GLU  72           HG3      GLU  72  -2.185  14.669   0.101
  588    H    LEU  73           HN       LEU  73  -0.245  11.420  -2.742
  589    HA   LEU  73           HA       LEU  73  -0.672  12.387  -5.488
  590   1HB   LEU  73           HB2      LEU  73   1.734  11.454  -4.740
  591   2HB   LEU  73           HB3      LEU  73   0.961   9.922  -5.086
  592    HG   LEU  73           HG       LEU  73   0.359  11.492  -7.316
  593   1HD1  LEU  73          HD12      LEU  73   2.047  13.123  -6.427
  594   2HD1  LEU  73          HD13      LEU  73   3.275  11.881  -6.688
  595   3HD1  LEU  73          HD11      LEU  73   2.358  12.519  -8.056
  596   1HD2  LEU  73          HD23      LEU  73   1.897   9.118  -6.710
  597   2HD2  LEU  73          HD21      LEU  73   0.942   9.518  -8.135
  598   3HD2  LEU  73          HD22      LEU  73   2.620  10.042  -8.024
  599    H    GLY  74           HN       GLY  74  -2.613  11.683  -6.081
  600   1HA   GLY  74           HA1      GLY  74  -4.048   9.911  -6.787
  601   2HA   GLY  74           HA2      GLY  74  -3.370   8.883  -5.537
  602    H    VAL  75           HN       VAL  75  -5.653  11.412  -6.255
  603    HA   VAL  75           HA       VAL  75  -6.760  11.335  -3.532
  604    HB   VAL  75           HB       VAL  75  -8.198  13.269  -4.425
  605   1HG1  VAL  75          HG23      VAL  75  -5.260  13.346  -3.906
  606   2HG1  VAL  75          HG21      VAL  75  -6.082  14.826  -4.401
  607   3HG1  VAL  75          HG22      VAL  75  -6.597  13.980  -2.943
  608   1HG2  VAL  75          HG11      VAL  75  -7.603  12.691  -6.854
  609   2HG2  VAL  75          HG12      VAL  75  -7.596  14.392  -6.389
  610   3HG2  VAL  75          HG13      VAL  75  -6.074  13.513  -6.538
  611    HA   PRO  76           HA       PRO  76 -10.353   8.972  -4.617
  612   1HB   PRO  76           HB2      PRO  76 -12.146  11.059  -3.495
  613   2HB   PRO  76           HB3      PRO  76 -11.936   9.374  -3.015
  614   1HG   PRO  76           HG2      PRO  76 -10.981  11.360  -1.503
  615   2HG   PRO  76           HG3      PRO  76 -10.078   9.842  -1.700
  616   1HD   PRO  76           HD2      PRO  76  -9.654  12.492  -3.044
  617   2HD   PRO  76           HD3      PRO  76  -8.457  11.384  -2.348
  618    H    THR  77           HN       THR  77 -11.862   8.711  -6.218
  619    HA   THR  77           HA       THR  77 -12.988  10.977  -7.640
  620    HB   THR  77           HB       THR  77 -10.704  10.636  -8.658
  621    HG1  THR  77           HG1      THR  77 -11.468  11.156 -10.554
  622   1HG2  THR  77          HG23      THR  77 -10.745   8.078  -8.457
  623   2HG2  THR  77          HG22      THR  77 -11.698   8.113  -9.942
  624   3HG2  THR  77          HG21      THR  77 -10.074   8.795  -9.919
  625    H    THR  78           HN       THR  78 -13.692   9.434  -9.963
  626    HA   THR  78           HA       THR  78 -15.400   7.299  -8.860
  627    HB   THR  78           HB       THR  78 -17.184   8.204 -10.530
  628    HG1  THR  78           HG1      THR  78 -15.371   9.912 -11.079
  629   1HG2  THR  78          HG22      THR  78 -16.577   9.675  -7.976
  630   2HG2  THR  78          HG21      THR  78 -18.075   9.831  -8.895
  631   3HG2  THR  78          HG23      THR  78 -17.633   8.280  -8.185
   
  No H/Q in entry =         631
  Start of MODEL    7
    1   1H    MET   1           HT2      MET   1 -22.239   1.199  16.532
    2   2H    MET   1           HT1      MET   1 -23.940   1.468  16.502
    3   3H    MET   1           HT3      MET   1 -23.291   0.129  17.374
    4    HA   MET   1           HA       MET   1 -23.102  -1.123  15.611
    5   1HB   MET   1           HB2      MET   1 -24.949   1.065  14.598
    6   2HB   MET   1           HB3      MET   1 -24.762  -0.494  13.811
    7   1HG   MET   1           HG2      MET   1 -25.386  -0.742  16.642
    8   2HG   MET   1           HG3      MET   1 -26.608   0.154  15.748
    9   1HE   MET   1           HE1      MET   1 -27.160  -0.506  13.406
   10   2HE   MET   1           HE2      MET   1 -26.716  -2.042  12.666
   11   3HE   MET   1           HE3      MET   1 -28.270  -1.872  13.480
   12    H    ARG   2           HN       ARG   2 -21.053  -1.177  14.783
   13    HA   ARG   2           HA       ARG   2 -20.306   0.835  12.748
   14   1HB   ARG   2           HB2      ARG   2 -18.566  -1.061  14.342
   15   2HB   ARG   2           HB3      ARG   2 -17.978   0.001  13.074
   16   1HG   ARG   2           HG2      ARG   2 -19.283   0.912  15.633
   17   2HG   ARG   2           HG3      ARG   2 -17.549   0.881  15.323
   18   1HD   ARG   2           HD2      ARG   2 -17.818   3.000  14.646
   19   2HD   ARG   2           HD3      ARG   2 -18.458   2.281  13.165
   20    HE   ARG   2           HE       ARG   2 -20.459   2.667  15.204
   21   1HH1  ARG   2          HH12      ARG   2 -18.714   4.236  12.599
   22   2HH1  ARG   2          HH11      ARG   2 -19.953   5.432  12.324
   23   1HH2  ARG   2          HH22      ARG   2 -22.081   4.236  14.840
   24   2HH2  ARG   2          HH21      ARG   2 -21.859   5.423  13.593
   25    H    SER   3           HN       SER   3 -20.658   0.159  10.732
   26    HA   SER   3           HA       SER   3 -19.913  -2.513   9.898
   27   1HB   SER   3           HB2      SER   3 -22.799  -1.589   9.686
   28   2HB   SER   3           HB3      SER   3 -22.143  -3.053   8.951
   29    HG   SER   3           HG       SER   3 -21.566  -2.928  11.604
   30    H    SER   4           HN       SER   4 -18.693  -2.031   8.203
   31    HA   SER   4           HA       SER   4 -19.679  -0.079   6.201
   32   1HB   SER   4           HB2      SER   4 -16.796  -0.854   6.738
   33   2HB   SER   4           HB3      SER   4 -17.363   0.376   5.610
   34    HG   SER   4           HG       SER   4 -16.673   0.778   8.058
   35    H    ALA   5           HN       ALA   5 -20.408  -1.054   4.425
   36    HA   ALA   5           HA       ALA   5 -19.526  -3.763   3.716
   37   1HB   ALA   5           HB2      ALA   5 -21.797  -2.039   2.725
   38   2HB   ALA   5           HB3      ALA   5 -21.405  -3.623   2.051
   39   3HB   ALA   5           HB1      ALA   5 -21.896  -3.478   3.740
   40    H    LYS   6           HN       LYS   6 -19.355  -0.453   2.571
   41    HA   LYS   6           HA       LYS   6 -18.348  -1.090  -0.049
   42   1HB   LYS   6           HB2      LYS   6 -18.019   1.560   1.352
   43   2HB   LYS   6           HB3      LYS   6 -18.094   1.243  -0.374
   44   1HG   LYS   6           HG2      LYS   6 -20.529   0.336   0.820
   45   2HG   LYS   6           HG3      LYS   6 -20.195   1.968   1.383
   46   1HD   LYS   6           HD2      LYS   6 -20.045   1.233  -1.526
   47   2HD   LYS   6           HD3      LYS   6 -21.565   1.698  -0.764
   48   1HE   LYS   6           HE2      LYS   6 -19.064   3.388  -0.768
   49   2HE   LYS   6           HE3      LYS   6 -20.399   3.581  -1.899
   50   1HZ   LYS   6           HZ1      LYS   6 -21.284   3.580   0.831
   51   2HZ   LYS   6           HZ3      LYS   6 -20.150   4.814   0.515
   52   3HZ   LYS   6           HZ2      LYS   6 -21.572   4.715  -0.407
   53    H    GLN   7           HN       GLN   7 -16.329  -1.712  -0.518
   54    HA   GLN   7           HA       GLN   7 -14.352  -1.878   1.541
   55   1HB   GLN   7           HB2      GLN   7 -14.747  -3.001  -1.113
   56   2HB   GLN   7           HB3      GLN   7 -13.072  -2.543  -0.860
   57   1HG   GLN   7           HG2      GLN   7 -13.188  -3.811   1.326
   58   2HG   GLN   7           HG3      GLN   7 -14.733  -4.447   0.766
   59   1HE2  GLN   7          HE22      GLN   7 -11.245  -5.707  -0.947
   60   2HE2  GLN   7          HE21      GLN   7 -11.301  -4.248  -0.025
   61    H    GLU   8           HN       GLU   8 -15.010   0.869   0.895
   62    HA   GLU   8           HA       GLU   8 -12.678   2.001  -0.412
   63   1HB   GLU   8           HB2      GLU   8 -14.754   3.441   1.258
   64   2HB   GLU   8           HB3      GLU   8 -13.616   4.156   0.123
   65   1HG   GLU   8           HG2      GLU   8 -14.782   2.742  -1.664
   66   2HG   GLU   8           HG3      GLU   8 -16.051   2.500  -0.463
   67    H    GLU   9           HN       GLU   9 -12.656   0.312   2.176
   68    HA   GLU   9           HA       GLU   9 -11.264   2.115   4.020
   69   1HB   GLU   9           HB2      GLU   9 -12.130  -0.759   4.371
   70   2HB   GLU   9           HB3      GLU   9 -11.271   0.190   5.579
   71   1HG   GLU   9           HG2      GLU   9 -13.938   0.971   4.448
   72   2HG   GLU   9           HG3      GLU   9 -13.750  -0.008   5.897
   73    H    LEU  10           HN       LEU  10 -10.930  -0.635   1.902
   74    HA   LEU  10           HA       LEU  10  -8.357  -1.531   2.433
   75   1HB   LEU  10           HB2      LEU  10  -9.891  -2.634   0.875
   76   2HB   LEU  10           HB3      LEU  10  -9.778  -1.279  -0.230
   77    HG   LEU  10           HG       LEU  10  -7.399  -1.806  -0.614
   78   1HD1  LEU  10          HD12      LEU  10  -7.953  -4.072   1.287
   79   2HD1  LEU  10          HD13      LEU  10  -6.587  -4.049   0.173
   80   3HD1  LEU  10          HD11      LEU  10  -6.722  -2.814   1.420
   81   1HD2  LEU  10          HD23      LEU  10  -9.474  -2.940  -1.803
   82   2HD2  LEU  10          HD21      LEU  10  -7.813  -3.396  -2.193
   83   3HD2  LEU  10          HD22      LEU  10  -8.769  -4.391  -1.093
   84    H    VAL  11           HN       VAL  11  -9.425   1.399   0.865
   85    HA   VAL  11           HA       VAL  11  -6.872   2.081  -0.285
   86    HB   VAL  11           HB       VAL  11  -9.284   3.824   0.254
   87   1HG1  VAL  11          HG13      VAL  11  -6.629   4.435  -0.979
   88   2HG1  VAL  11          HG11      VAL  11  -8.079   5.237  -1.588
   89   3HG1  VAL  11          HG12      VAL  11  -7.617   5.416   0.106
   90   1HG2  VAL  11          HG23      VAL  11  -8.366   2.216  -2.096
   91   2HG2  VAL  11          HG21      VAL  11  -9.971   2.326  -1.372
   92   3HG2  VAL  11          HG22      VAL  11  -9.343   3.663  -2.336
   93    H    LYS  12           HN       LYS  12  -8.575   3.078   2.741
   94    HA   LYS  12           HA       LYS  12  -6.602   4.927   3.578
   95   1HB   LYS  12           HB2      LYS  12  -8.506   3.281   5.258
   96   2HB   LYS  12           HB3      LYS  12  -7.481   4.553   5.899
   97   1HG   LYS  12           HG2      LYS  12  -9.221   5.901   5.560
   98   2HG   LYS  12           HG3      LYS  12  -8.781   5.829   3.847
   99   1HD   LYS  12           HD2      LYS  12 -10.268   3.979   3.509
  100   2HD   LYS  12           HD3      LYS  12 -10.659   3.917   5.221
  101   1HE   LYS  12           HE2      LYS  12 -12.470   5.008   4.070
  102   2HE   LYS  12           HE3      LYS  12 -11.621   6.187   5.066
  103   1HZ   LYS  12           HZ1      LYS  12 -10.725   5.956   2.301
  104   2HZ   LYS  12           HZ3      LYS  12 -12.271   6.615   2.534
  105   3HZ   LYS  12           HZ2      LYS  12 -10.917   7.339   3.276
  106    H    ALA  13           HN       ALA  13  -7.004   1.472   4.150
  107    HA   ALA  13           HA       ALA  13  -4.775   1.105   5.861
  108   1HB   ALA  13           HB2      ALA  13  -6.570  -0.530   5.730
  109   2HB   ALA  13           HB3      ALA  13  -6.148  -0.891   4.053
  110   3HB   ALA  13           HB1      ALA  13  -5.020  -1.285   5.353
  111    H    PHE  14           HN       PHE  14  -5.133   0.673   2.325
  112    HA   PHE  14           HA       PHE  14  -2.583  -0.266   1.720
  113   1HB   PHE  14           HB2      PHE  14  -4.609   0.004   0.153
  114   2HB   PHE  14           HB3      PHE  14  -4.061   1.648  -0.102
  115    HD1  PHE  14           HD1      PHE  14  -3.197  -1.908  -0.465
  116    HD2  PHE  14           HD2      PHE  14  -2.198   2.092  -1.516
  117    HE1  PHE  14           HE1      PHE  14  -1.641  -2.747  -2.164
  118    HE2  PHE  14           HE2      PHE  14  -0.638   1.249  -3.227
  119    HZ   PHE  14           HZ       PHE  14  -0.372  -1.164  -3.538
  120    H    LYS  15           HN       LYS  15  -3.649   3.120   1.327
  121    HA   LYS  15           HA       LYS  15  -1.233   4.302   0.855
  122   1HB   LYS  15           HB2      LYS  15  -3.422   5.595   2.515
  123   2HB   LYS  15           HB3      LYS  15  -2.336   6.377   1.366
  124   1HG   LYS  15           HG2      LYS  15  -4.107   4.269   0.271
  125   2HG   LYS  15           HG3      LYS  15  -4.905   5.739   0.826
  126   1HD   LYS  15           HD2      LYS  15  -2.495   5.849  -0.953
  127   2HD   LYS  15           HD3      LYS  15  -4.076   5.489  -1.630
  128   1HE   LYS  15           HE2      LYS  15  -4.548   7.709  -0.024
  129   2HE   LYS  15           HE3      LYS  15  -2.970   8.062  -0.747
  130   1HZ   LYS  15           HZ1      LYS  15  -4.163   7.381  -2.921
  131   2HZ   LYS  15           HZ3      LYS  15  -5.592   7.699  -2.065
  132   3HZ   LYS  15           HZ2      LYS  15  -4.427   8.927  -2.274
  133    H    ALA  16           HN       ALA  16  -2.672   3.631   4.019
  134    HA   ALA  16           HA       ALA  16  -0.809   5.027   5.615
  135   1HB   ALA  16           HB3      ALA  16  -2.993   4.364   6.457
  136   2HB   ALA  16           HB1      ALA  16  -2.541   2.663   6.347
  137   3HB   ALA  16           HB2      ALA  16  -1.710   3.728   7.482
  138    H    LEU  17           HN       LEU  17  -0.980   1.573   4.697
  139    HA   LEU  17           HA       LEU  17   1.235   0.636   6.103
  140   1HB   LEU  17           HB2      LEU  17   0.067  -0.228   3.456
  141   2HB   LEU  17           HB3      LEU  17   1.398  -1.079   4.207
  142    HG   LEU  17           HG       LEU  17  -1.435  -0.858   5.157
  143   1HD1  LEU  17          HD12      LEU  17   0.379  -3.186   4.552
  144   2HD1  LEU  17          HD13      LEU  17  -1.261  -3.316   5.185
  145   3HD1  LEU  17          HD11      LEU  17  -0.988  -2.635   3.584
  146   1HD2  LEU  17          HD22      LEU  17   1.010  -1.536   6.736
  147   2HD2  LEU  17          HD23      LEU  17  -0.378  -0.549   7.195
  148   3HD2  LEU  17          HD21      LEU  17  -0.531  -2.303   7.107
  149    H    LEU  18           HN       LEU  18   1.117   1.828   2.741
  150    HA   LEU  18           HA       LEU  18   3.860   1.505   2.162
  151   1HB   LEU  18           HB2      LEU  18   2.026   3.639   1.075
  152   2HB   LEU  18           HB3      LEU  18   3.513   3.087   0.338
  153    HG   LEU  18           HG       LEU  18   1.217   1.195   0.768
  154   1HD1  LEU  18          HD13      LEU  18   0.774   3.455  -0.573
  155   2HD1  LEU  18          HD11      LEU  18   1.522   2.502  -1.858
  156   3HD1  LEU  18          HD12      LEU  18   0.086   1.904  -1.036
  157   1HD2  LEU  18          HD23      LEU  18   3.474   0.329   0.160
  158   2HD2  LEU  18          HD21      LEU  18   2.225  -0.026  -1.032
  159   3HD2  LEU  18          HD22      LEU  18   3.376   1.273  -1.327
  160    H    LYS  19           HN       LYS  19   2.124   4.351   3.391
  161    HA   LYS  19           HA       LYS  19   4.324   6.078   3.455
  162   1HB   LYS  19           HB2      LYS  19   1.707   6.088   4.948
  163   2HB   LYS  19           HB3      LYS  19   2.874   7.398   5.077
  164   1HG   LYS  19           HG2      LYS  19   2.707   7.804   2.677
  165   2HG   LYS  19           HG3      LYS  19   1.594   6.445   2.506
  166   1HD   LYS  19           HD2      LYS  19   0.405   8.591   2.537
  167   2HD   LYS  19           HD3      LYS  19  -0.050   7.579   3.909
  168   1HE   LYS  19           HE2      LYS  19   2.211   9.409   4.413
  169   2HE   LYS  19           HE3      LYS  19   0.677  10.210   4.070
  170   1HZ   LYS  19           HZ2      LYS  19   1.053   8.125   6.164
  171   2HZ   LYS  19           HZ1      LYS  19   1.026   9.803   6.449
  172   3HZ   LYS  19           HZ3      LYS  19  -0.365   9.014   5.856
  173    H    GLU  20           HN       GLU  20   3.760   3.405   5.505
  174    HA   GLU  20           HA       GLU  20   5.130   4.503   7.835
  175   1HB   GLU  20           HB2      GLU  20   4.231   1.686   7.200
  176   2HB   GLU  20           HB3      GLU  20   4.950   2.183   8.724
  177   1HG   GLU  20           HG2      GLU  20   2.777   3.935   8.184
  178   2HG   GLU  20           HG3      GLU  20   2.221   2.291   7.893
  179    H    GLU  21           HN       GLU  21   5.963   2.961   4.887
  180    HA   GLU  21           HA       GLU  21   7.913   2.394   3.910
  181   1HB   GLU  21           HB2      GLU  21   9.366   3.570   6.287
  182   2HB   GLU  21           HB3      GLU  21   9.954   3.383   4.641
  183   1HG   GLU  21           HG2      GLU  21   8.024   4.970   3.999
  184   2HG   GLU  21           HG3      GLU  21   7.973   5.359   5.718
  185    H    LYS  22           HN       LYS  22   6.834   0.244   4.906
  186    HA   LYS  22           HA       LYS  22   9.121  -1.336   5.796
  187   1HB   LYS  22           HB2      LYS  22   7.563  -2.639   7.379
  188   2HB   LYS  22           HB3      LYS  22   8.166  -1.087   7.927
  189   1HG   LYS  22           HG2      LYS  22   6.070  -0.037   7.563
  190   2HG   LYS  22           HG3      LYS  22   5.451  -1.450   6.709
  191   1HD   LYS  22           HD2      LYS  22   5.973  -2.702   8.935
  192   2HD   LYS  22           HD3      LYS  22   5.963  -1.085   9.639
  193   1HE   LYS  22           HE2      LYS  22   3.690  -2.231   8.018
  194   2HE   LYS  22           HE3      LYS  22   3.783  -2.309   9.774
  195   1HZ   LYS  22           HZ1      LYS  22   3.879   0.120   9.823
  196   2HZ   LYS  22           HZ3      LYS  22   3.670   0.163   8.139
  197   3HZ   LYS  22           HZ2      LYS  22   2.434  -0.453   9.125
  198    H    PHE  23           HN       PHE  23   7.847  -1.078   3.230
  199    HA   PHE  23           HA       PHE  23   6.895  -3.822   2.822
  200   1HB   PHE  23           HB2      PHE  23   5.632  -1.189   2.058
  201   2HB   PHE  23           HB3      PHE  23   5.219  -2.682   1.259
  202    HD1  PHE  23           HD1      PHE  23   4.442  -4.640   2.771
  203    HD2  PHE  23           HD2      PHE  23   4.707  -0.615   4.101
  204    HE1  PHE  23           HE1      PHE  23   3.013  -5.185   4.690
  205    HE2  PHE  23           HE2      PHE  23   3.282  -1.151   6.026
  206    HZ   PHE  23           HZ       PHE  23   2.426  -3.441   6.322
  207    H    SER  24           HN       SER  24   8.815  -4.437   1.780
  208    HA   SER  24           HA       SER  24   9.884  -2.886  -0.372
  209   1HB   SER  24           HB2      SER  24  11.191  -5.235  -0.659
  210   2HB   SER  24           HB3      SER  24  11.646  -4.003   0.510
  211    HG   SER  24           HG       SER  24   9.920  -6.207   1.052
  212    H    SER  25           HN       SER  25   8.029  -5.897  -0.254
  213    HA   SER  25           HA       SER  25   7.669  -5.663  -3.179
  214   1HB   SER  25           HB2      SER  25   7.290  -8.098  -3.210
  215   2HB   SER  25           HB3      SER  25   8.880  -7.702  -2.559
  216    HG   SER  25           HG       SER  25   7.902  -7.917  -0.431
  217    H    GLN  26           HN       GLN  26   5.602  -6.578  -3.968
  218    HA   GLN  26           HA       GLN  26   3.364  -5.313  -2.764
  219   1HB   GLN  26           HB2      GLN  26   3.286  -7.520  -4.819
  220   2HB   GLN  26           HB3      GLN  26   2.096  -6.299  -4.520
  221   1HG   GLN  26           HG2      GLN  26   2.995  -5.086  -6.132
  222   2HG   GLN  26           HG3      GLN  26   4.382  -4.842  -5.084
  223   1HE2  GLN  26          HE22      GLN  26   5.563  -6.114  -8.346
  224   2HE2  GLN  26          HE21      GLN  26   4.645  -4.749  -7.812
  225    H    GLY  27           HN       GLY  27   4.149  -8.767  -3.153
  226   1HA   GLY  27           HA1      GLY  27   2.126 -10.010  -1.821
  227   2HA   GLY  27           HA2      GLY  27   3.772 -10.590  -1.776
  228    H    GLU  28           HN       GLU  28   4.829  -8.369  -0.208
  229    HA   GLU  28           HA       GLU  28   4.318  -9.330   2.403
  230   1HB   GLU  28           HB2      GLU  28   5.743  -6.881   1.361
  231   2HB   GLU  28           HB3      GLU  28   5.585  -7.193   3.086
  232   1HG   GLU  28           HG2      GLU  28   6.834  -9.217   2.917
  233   2HG   GLU  28           HG3      GLU  28   6.818  -9.149   1.158
  234    H    ILE  29           HN       ILE  29   3.191  -6.385   0.717
  235    HA   ILE  29           HA       ILE  29   1.670  -5.507   2.993
  236    HB   ILE  29           HB       ILE  29   1.965  -3.572   2.019
  237   1HG1  ILE  29          HG12      ILE  29   0.004  -4.434  -0.106
  238   2HG1  ILE  29          HG13      ILE  29  -0.419  -3.773   1.476
  239   1HG2  ILE  29          HG22      ILE  29   3.659  -4.580   0.526
  240   2HG2  ILE  29          HG23      ILE  29   2.403  -4.789  -0.691
  241   3HG2  ILE  29          HG21      ILE  29   2.854  -3.176  -0.159
  242   1HD1  ILE  29          HD12      ILE  29   1.307  -1.891   0.516
  243   2HD1  ILE  29          HD13      ILE  29   0.467  -2.411  -0.947
  244   3HD1  ILE  29          HD11      ILE  29  -0.453  -1.808   0.433
  245    H    VAL  30           HN       VAL  30   1.068  -7.701   0.411
  246    HA   VAL  30           HA       VAL  30  -1.792  -7.639   0.411
  247    HB   VAL  30           HB       VAL  30  -0.001 -10.026  -0.159
  248   1HG1  VAL  30          HG11      VAL  30  -2.545 -10.331   0.238
  249   2HG1  VAL  30          HG12      VAL  30  -2.708  -9.568  -1.341
  250   3HG1  VAL  30          HG13      VAL  30  -1.802 -11.070  -1.175
  251   1HG2  VAL  30          HG22      VAL  30   0.249  -7.809  -1.559
  252   2HG2  VAL  30          HG23      VAL  30   0.228  -9.379  -2.349
  253   3HG2  VAL  30          HG21      VAL  30  -1.224  -8.390  -2.321
  254    H    ALA  31           HN       ALA  31   0.609  -9.645   2.117
  255    HA   ALA  31           HA       ALA  31  -1.192 -11.098   3.731
  256   1HB   ALA  31           HB1      ALA  31   1.171 -11.733   3.318
  257   2HB   ALA  31           HB2      ALA  31   1.678 -10.423   4.383
  258   3HB   ALA  31           HB3      ALA  31   0.725 -11.763   5.023
  259    H    ALA  32           HN       ALA  32   0.490  -8.014   4.269
  260    HA   ALA  32           HA       ALA  32  -0.178  -7.619   6.961
  261   1HB   ALA  32           HB3      ALA  32   0.277  -5.554   4.809
  262   2HB   ALA  32           HB1      ALA  32   0.225  -5.222   6.542
  263   3HB   ALA  32           HB2      ALA  32   1.492  -6.255   5.879
  264    H    LEU  33           HN       LEU  33  -2.002  -6.708   4.024
  265    HA   LEU  33           HA       LEU  33  -4.089  -5.393   5.456
  266   1HB   LEU  33           HB2      LEU  33  -4.155  -6.548   2.667
  267   2HB   LEU  33           HB3      LEU  33  -5.363  -5.471   3.359
  268    HG   LEU  33           HG       LEU  33  -2.493  -4.597   3.196
  269   1HD1  LEU  33          HD13      LEU  33  -3.106  -5.366   0.948
  270   2HD1  LEU  33          HD11      LEU  33  -4.519  -4.312   0.988
  271   3HD1  LEU  33          HD12      LEU  33  -2.900  -3.618   1.028
  272   1HD2  LEU  33          HD23      LEU  33  -5.151  -3.192   3.290
  273   2HD2  LEU  33          HD21      LEU  33  -3.871  -3.181   4.505
  274   3HD2  LEU  33          HD22      LEU  33  -3.623  -2.377   2.956
  275    H    GLN  34           HN       GLN  34  -3.551  -8.745   4.467
  276    HA   GLN  34           HA       GLN  34  -6.168  -9.691   5.051
  277   1HB   GLN  34           HB2      GLN  34  -3.496 -11.077   4.912
  278   2HB   GLN  34           HB3      GLN  34  -4.968 -11.941   5.339
  279   1HG   GLN  34           HG2      GLN  34  -5.969 -11.409   3.219
  280   2HG   GLN  34           HG3      GLN  34  -4.615 -10.365   2.795
  281   1HE2  GLN  34          HE22      GLN  34  -3.465 -13.107   0.959
  282   2HE2  GLN  34          HE21      GLN  34  -4.196 -11.537   0.925
  283    H    GLU  35           HN       GLU  35  -3.328  -9.105   7.050
  284    HA   GLU  35           HA       GLU  35  -4.430 -10.240   9.460
  285   1HB   GLU  35           HB2      GLU  35  -2.116  -8.333   9.025
  286   2HB   GLU  35           HB3      GLU  35  -2.541  -9.041  10.578
  287   1HG   GLU  35           HG2      GLU  35  -2.118 -11.273   9.690
  288   2HG   GLU  35           HG3      GLU  35  -1.702 -10.578   8.127
  289    H    GLN  36           HN       GLN  36  -4.517  -7.124   7.873
  290    HA   GLN  36           HA       GLN  36  -5.374  -5.537  10.076
  291   1HB   GLN  36           HB2      GLN  36  -5.510  -5.155   7.088
  292   2HB   GLN  36           HB3      GLN  36  -6.151  -3.964   8.200
  293   1HG   GLN  36           HG2      GLN  36  -3.379  -4.858   8.713
  294   2HG   GLN  36           HG3      GLN  36  -3.630  -3.942   7.230
  295   1HE2  GLN  36          HE22      GLN  36  -3.953  -0.869   8.822
  296   2HE2  GLN  36          HE21      GLN  36  -3.949  -1.776   7.351
  297    H    GLY  37           HN       GLY  37  -7.217  -6.806   7.275
  298   1HA   GLY  37           HA1      GLY  37  -9.371  -7.906   8.504
  299   2HA   GLY  37           HA2      GLY  37  -9.748  -6.190   8.559
  300    H    PHE  38           HN       PHE  38  -8.027  -7.764   5.914
  301    HA   PHE  38           HA       PHE  38 -10.408  -7.432   4.191
  302   1HB   PHE  38           HB2      PHE  38  -7.562  -6.888   3.308
  303   2HB   PHE  38           HB3      PHE  38  -9.043  -6.605   2.400
  304    HD1  PHE  38           HD1      PHE  38 -10.490  -4.727   2.929
  305    HD2  PHE  38           HD2      PHE  38  -6.864  -5.349   5.059
  306    HE1  PHE  38           HE1      PHE  38 -10.609  -2.440   3.818
  307    HE2  PHE  38           HE2      PHE  38  -6.976  -3.076   5.946
  308    HZ   PHE  38           HZ       PHE  38  -8.842  -1.619   5.325
  309    H    ASP  39           HN       ASP  39 -11.036  -9.438   3.752
  310    HA   ASP  39           HA       ASP  39  -9.020 -11.522   3.189
  311   1HB   ASP  39           HB2      ASP  39 -11.867 -11.626   4.161
  312   2HB   ASP  39           HB3      ASP  39 -11.116 -13.048   3.447
  313    H    ASN  40           HN       ASN  40  -9.946  -9.448   1.314
  314    HA   ASN  40           HA       ASN  40 -10.515 -11.199  -0.938
  315   1HB   ASN  40           HB2      ASN  40 -12.696 -10.162  -0.247
  316   2HB   ASN  40           HB3      ASN  40 -11.989  -8.576  -0.525
  317   1HD2  ASN  40          HD22      ASN  40 -13.040 -10.945  -3.688
  318   2HD2  ASN  40          HD21      ASN  40 -12.815 -11.624  -2.113
  319    H    ILE  41           HN       ILE  41  -8.114 -10.777  -0.835
  320    HA   ILE  41           HA       ILE  41  -7.412  -8.560  -2.589
  321    HB   ILE  41           HB       ILE  41  -6.866  -8.566   0.301
  322   1HG1  ILE  41          HG12      ILE  41  -7.796  -6.760  -1.485
  323   2HG1  ILE  41          HG13      ILE  41  -7.110  -6.326   0.074
  324   1HG2  ILE  41          HG23      ILE  41  -4.516  -8.154  -1.543
  325   2HG2  ILE  41          HG21      ILE  41  -4.585  -7.585   0.121
  326   3HG2  ILE  41          HG22      ILE  41  -4.663  -9.308  -0.217
  327   1HD1  ILE  41          HD11      ILE  41  -5.360  -6.535  -2.331
  328   2HD1  ILE  41          HD12      ILE  41  -6.326  -5.092  -2.037
  329   3HD1  ILE  41          HD13      ILE  41  -5.128  -5.607  -0.853
  330    H    ASN  42           HN       ASN  42  -5.582  -8.941  -3.779
  331    HA   ASN  42           HA       ASN  42  -3.961 -11.329  -3.235
  332   1HB   ASN  42           HB2      ASN  42  -4.041 -11.974  -5.645
  333   2HB   ASN  42           HB3      ASN  42  -5.594 -12.129  -4.841
  334   1HD2  ASN  42          HD22      ASN  42  -7.239  -9.802  -6.864
  335   2HD2  ASN  42          HD21      ASN  42  -7.288 -10.786  -5.437
  336    H    GLN  43           HN       GLN  43  -2.017 -11.364  -4.827
  337    HA   GLN  43           HA       GLN  43  -0.504  -9.039  -4.387
  338   1HB   GLN  43           HB2      GLN  43   0.210 -11.523  -4.921
  339   2HB   GLN  43           HB3      GLN  43   0.295 -10.918  -6.568
  340   1HG   GLN  43           HG2      GLN  43   1.782  -9.079  -5.688
  341   2HG   GLN  43           HG3      GLN  43   1.839  -9.971  -4.170
  342   1HE2  GLN  43          HE22      GLN  43   3.734 -12.679  -5.574
  343   2HE2  GLN  43          HE21      GLN  43   2.414 -12.367  -4.500
  344    H    SER  44           HN       SER  44  -2.248 -10.108  -7.278
  345    HA   SER  44           HA       SER  44  -1.314  -8.096  -9.031
  346   1HB   SER  44           HB2      SER  44  -2.923 -10.307  -9.299
  347   2HB   SER  44           HB3      SER  44  -4.083  -9.002  -9.504
  348    HG   SER  44           HG       SER  44  -1.806  -9.644 -11.042
  349    H    LYS  45           HN       LYS  45  -3.881  -8.181  -6.667
  350    HA   LYS  45           HA       LYS  45  -5.216  -5.757  -7.269
  351   1HB   LYS  45           HB2      LYS  45  -5.766  -7.764  -5.622
  352   2HB   LYS  45           HB3      LYS  45  -4.908  -6.776  -4.457
  353   1HG   LYS  45           HG2      LYS  45  -7.057  -6.124  -4.075
  354   2HG   LYS  45           HG3      LYS  45  -6.566  -4.908  -5.249
  355   1HD   LYS  45           HD2      LYS  45  -7.633  -6.171  -7.035
  356   2HD   LYS  45           HD3      LYS  45  -8.018  -7.476  -5.908
  357   1HE   LYS  45           HE2      LYS  45 -10.020  -6.298  -6.089
  358   2HE   LYS  45           HE3      LYS  45  -9.314  -5.705  -4.589
  359   1HZ   LYS  45           HZ3      LYS  45  -8.323  -3.937  -6.303
  360   2HZ   LYS  45           HZ2      LYS  45  -9.778  -4.320  -7.102
  361   3HZ   LYS  45           HZ1      LYS  45  -9.816  -3.734  -5.501
  362    H    VAL  46           HN       VAL  46  -2.464  -6.560  -5.255
  363    HA   VAL  46           HA       VAL  46  -2.104  -3.976  -4.094
  364    HB   VAL  46           HB       VAL  46  -0.511  -6.519  -4.068
  365   1HG1  VAL  46          HG11      VAL  46   1.129  -4.677  -3.997
  366   2HG1  VAL  46          HG12      VAL  46   0.247  -3.971  -2.642
  367   3HG1  VAL  46          HG13      VAL  46   1.021  -5.538  -2.473
  368   1HG2  VAL  46          HG23      VAL  46  -2.231  -4.990  -2.145
  369   2HG2  VAL  46          HG21      VAL  46  -2.362  -6.671  -2.649
  370   3HG2  VAL  46          HG22      VAL  46  -1.063  -6.170  -1.567
  371    H    SER  47           HN       SER  47  -0.398  -5.739  -6.711
  372    HA   SER  47           HA       SER  47   1.482  -3.689  -7.232
  373   1HB   SER  47           HB2      SER  47   1.537  -4.864  -9.572
  374   2HB   SER  47           HB3      SER  47   2.104  -5.726  -8.148
  375    HG   SER  47           HG       SER  47   0.674  -7.170  -8.578
  376    H    ARG  48           HN       ARG  48  -1.811  -4.255  -8.379
  377    HA   ARG  48           HA       ARG  48  -1.795  -2.216 -10.393
  378   1HB   ARG  48           HB2      ARG  48  -3.932  -3.794  -9.005
  379   2HB   ARG  48           HB3      ARG  48  -4.398  -2.359  -9.909
  380   1HG   ARG  48           HG2      ARG  48  -3.515  -3.251 -11.941
  381   2HG   ARG  48           HG3      ARG  48  -2.804  -4.620 -11.085
  382   1HD   ARG  48           HD2      ARG  48  -5.532  -4.630 -10.413
  383   2HD   ARG  48           HD3      ARG  48  -5.469  -4.299 -12.139
  384    HE   ARG  48           HE       ARG  48  -4.756  -6.764 -10.794
  385   1HH1  ARG  48          HH12      ARG  48  -4.428  -4.863 -13.726
  386   2HH1  ARG  48          HH11      ARG  48  -4.033  -6.231 -14.729
  387   1HH2  ARG  48          HH22      ARG  48  -4.224  -8.561 -12.104
  388   2HH2  ARG  48          HH21      ARG  48  -3.921  -8.340 -13.804
  389    H    MET  49           HN       MET  49  -2.773  -2.270  -6.972
  390    HA   MET  49           HA       MET  49  -3.666   0.428  -6.887
  391   1HB   MET  49           HB2      MET  49  -2.933  -1.599  -4.797
  392   2HB   MET  49           HB3      MET  49  -3.256   0.068  -4.340
  393   1HG   MET  49           HG2      MET  49  -5.482  -0.058  -4.901
  394   2HG   MET  49           HG3      MET  49  -5.228  -1.365  -6.047
  395   1HE   MET  49           HE2      MET  49  -4.856  -0.330  -2.448
  396   2HE   MET  49           HE3      MET  49  -6.584  -0.673  -2.385
  397   3HE   MET  49           HE1      MET  49  -5.451  -1.690  -1.499
  398    H    LEU  50           HN       LEU  50  -0.501  -1.082  -6.433
  399    HA   LEU  50           HA       LEU  50   0.832   1.151  -5.315
  400   1HB   LEU  50           HB2      LEU  50   1.707  -1.331  -6.725
  401   2HB   LEU  50           HB3      LEU  50   2.872  -0.027  -6.572
  402    HG   LEU  50           HG       LEU  50   1.436  -0.855  -4.112
  403   1HD1  LEU  50          HD13      LEU  50   2.001  -3.014  -5.115
  404   2HD1  LEU  50          HD11      LEU  50   3.671  -2.483  -5.309
  405   3HD1  LEU  50          HD12      LEU  50   2.991  -2.691  -3.696
  406   1HD2  LEU  50          HD21      LEU  50   4.148   0.171  -4.790
  407   2HD2  LEU  50          HD22      LEU  50   2.905   0.875  -3.751
  408   3HD2  LEU  50          HD23      LEU  50   3.791  -0.551  -3.224
  409    H    THR  51           HN       THR  51   0.340   0.123  -8.691
  410    HA   THR  51           HA       THR  51   1.781   2.310  -9.846
  411    HB   THR  51           HB       THR  51  -0.388   0.715 -11.232
  412    HG1  THR  51           HG1      THR  51   0.820  -0.997 -11.221
  413   1HG2  THR  51          HG22      THR  51   2.189   1.884 -12.271
  414   2HG2  THR  51          HG21      THR  51   1.017   0.953 -13.205
  415   3HG2  THR  51          HG23      THR  51   0.572   2.529 -12.552
  416    H    LYS  52           HN       LYS  52  -1.665   1.671  -9.219
  417    HA   LYS  52           HA       LYS  52  -2.756   3.968 -10.375
  418   1HB   LYS  52           HB2      LYS  52  -4.083   2.021  -9.659
  419   2HB   LYS  52           HB3      LYS  52  -3.770   2.415  -7.978
  420   1HG   LYS  52           HG2      LYS  52  -4.908   4.671  -9.399
  421   2HG   LYS  52           HG3      LYS  52  -5.926   3.235  -9.510
  422   1HD   LYS  52           HD2      LYS  52  -6.373   3.182  -7.276
  423   2HD   LYS  52           HD3      LYS  52  -4.830   3.914  -6.834
  424   1HE   LYS  52           HE2      LYS  52  -7.033   5.267  -6.533
  425   2HE   LYS  52           HE3      LYS  52  -5.589   6.060  -7.157
  426   1HZ   LYS  52           HZ3      LYS  52  -7.210   4.927  -9.244
  427   2HZ   LYS  52           HZ2      LYS  52  -8.050   6.083  -8.318
  428   3HZ   LYS  52           HZ1      LYS  52  -6.585   6.502  -9.076
  429    H    PHE  53           HN       PHE  53  -1.835   3.441  -6.951
  430    HA   PHE  53           HA       PHE  53  -2.348   6.192  -6.265
  431   1HB   PHE  53           HB2      PHE  53  -1.129   3.885  -4.721
  432   2HB   PHE  53           HB3      PHE  53  -1.300   5.501  -4.043
  433    HD1  PHE  53           HD1      PHE  53  -3.891   6.412  -4.750
  434    HD2  PHE  53           HD2      PHE  53  -2.640   2.457  -3.808
  435    HE1  PHE  53           HE1      PHE  53  -6.179   5.858  -4.033
  436    HE2  PHE  53           HE2      PHE  53  -4.909   1.898  -3.080
  437    HZ   PHE  53           HZ       PHE  53  -6.694   3.600  -3.197
  438    H    GLY  54           HN       GLY  54   0.117   4.902  -8.012
  439   1HA   GLY  54           HA1      GLY  54   2.191   5.642  -8.637
  440   2HA   GLY  54           HA2      GLY  54   1.702   7.194  -7.985
  441    H    ALA  55           HN       ALA  55   2.397   4.056  -6.427
  442    HA   ALA  55           HA       ALA  55   3.854   5.272  -4.284
  443   1HB   ALA  55           HB3      ALA  55   2.585   3.170  -4.049
  444   2HB   ALA  55           HB1      ALA  55   3.773   2.366  -5.078
  445   3HB   ALA  55           HB2      ALA  55   4.260   3.025  -3.514
  446    H    VAL  56           HN       VAL  56   6.069   5.079  -3.802
  447    HA   VAL  56           HA       VAL  56   7.838   4.510  -6.101
  448    HB   VAL  56           HB       VAL  56   9.275   6.371  -5.424
  449   1HG1  VAL  56          HG11      VAL  56   7.409   6.658  -7.067
  450   2HG1  VAL  56          HG12      VAL  56   6.433   7.322  -5.753
  451   3HG1  VAL  56          HG13      VAL  56   7.908   8.143  -6.256
  452   1HG2  VAL  56          HG23      VAL  56   7.250   6.685  -3.232
  453   2HG2  VAL  56          HG21      VAL  56   9.012   6.713  -3.140
  454   3HG2  VAL  56          HG22      VAL  56   8.142   8.082  -3.830
  455    H    ARG  57           HN       ARG  57   9.891   3.686  -5.649
  456    HA   ARG  57           HA       ARG  57  10.113   2.259  -3.105
  457   1HB   ARG  57           HB2      ARG  57  11.822   2.107  -5.608
  458   2HB   ARG  57           HB3      ARG  57  11.992   1.088  -4.189
  459   1HG   ARG  57           HG2      ARG  57   9.495   0.491  -4.653
  460   2HG   ARG  57           HG3      ARG  57   9.870   1.062  -6.280
  461   1HD   ARG  57           HD2      ARG  57  10.192  -1.324  -6.173
  462   2HD   ARG  57           HD3      ARG  57  11.755  -0.527  -6.369
  463    HE   ARG  57           HE       ARG  57  11.170  -0.989  -3.620
  464   1HH1  ARG  57          HH12      ARG  57  12.262  -2.597  -6.528
  465   2HH1  ARG  57          HH11      ARG  57  13.154  -3.824  -5.667
  466   1HH2  ARG  57          HH22      ARG  57  12.349  -2.595  -2.483
  467   2HH2  ARG  57          HH21      ARG  57  13.205  -3.815  -3.376
  468    H    THR  58           HN       THR  58  11.314   3.028  -1.468
  469    HA   THR  58           HA       THR  58  13.605   4.789  -1.991
  470    HB   THR  58           HB       THR  58  11.835   6.375  -1.761
  471    HG1  THR  58           HG1      THR  58  12.434   6.631   0.872
  472   1HG2  THR  58          HG23      THR  58  10.891   4.826   0.634
  473   2HG2  THR  58          HG22      THR  58  10.341   6.453   0.225
  474   3HG2  THR  58          HG21      THR  58  10.030   5.112  -0.879
  475    H    ARG  59           HN       ARG  59  14.977   5.093  -0.086
  476    HA   ARG  59           HA       ARG  59  15.229   2.677   1.459
  477   1HB   ARG  59           HB2      ARG  59  16.855   5.110   0.961
  478   2HB   ARG  59           HB3      ARG  59  17.067   4.369   2.534
  479   1HG   ARG  59           HG2      ARG  59  17.260   2.189   0.941
  480   2HG   ARG  59           HG3      ARG  59  17.890   3.439  -0.131
  481   1HD   ARG  59           HD2      ARG  59  19.004   2.369   2.401
  482   2HD   ARG  59           HD3      ARG  59  19.822   2.805   0.921
  483    HE   ARG  59           HE       ARG  59  19.278   4.515   3.186
  484   1HH1  ARG  59          HH12      ARG  59  20.029   4.450  -0.241
  485   2HH1  ARG  59          HH11      ARG  59  20.676   6.071  -0.252
  486   1HH2  ARG  59          HH22      ARG  59  20.109   6.595   3.183
  487   2HH2  ARG  59          HH21      ARG  59  20.718   7.302   1.712
  488    H    ASN  60           HN       ASN  60  14.396   2.328   3.438
  489    HA   ASN  60           HA       ASN  60  13.030   4.498   4.819
  490   1HB   ASN  60           HB2      ASN  60  11.960   2.841   6.152
  491   2HB   ASN  60           HB3      ASN  60  11.961   2.258   4.500
  492   1HD2  ASN  60          HD22      ASN  60  12.789  -0.566   6.695
  493   2HD2  ASN  60          HD21      ASN  60  11.464   0.530   6.498
  494    H    ALA  61           HN       ALA  61  13.198   3.762   7.465
  495    HA   ALA  61           HA       ALA  61  15.509   5.068   8.335
  496   1HB   ALA  61           HB1      ALA  61  13.653   3.255   9.876
  497   2HB   ALA  61           HB2      ALA  61  14.860   4.314  10.602
  498   3HB   ALA  61           HB3      ALA  61  13.519   5.002   9.690
  499    H    LYS  62           HN       LYS  62  15.012   1.667   7.674
  500    HA   LYS  62           HA       LYS  62  17.563   0.950   8.944
  501   1HB   LYS  62           HB2      LYS  62  15.315  -0.751   7.861
  502   2HB   LYS  62           HB3      LYS  62  16.866  -1.400   8.382
  503   1HG   LYS  62           HG2      LYS  62  16.109   0.116  10.540
  504   2HG   LYS  62           HG3      LYS  62  14.571  -0.535   9.966
  505   1HD   LYS  62           HD2      LYS  62  15.509  -2.798  10.030
  506   2HD   LYS  62           HD3      LYS  62  17.045  -2.143  10.609
  507   1HE   LYS  62           HE2      LYS  62  15.832  -1.231  12.590
  508   2HE   LYS  62           HE3      LYS  62  14.383  -2.063  12.028
  509   1HZ   LYS  62           HZ3      LYS  62  16.922  -3.515  12.520
  510   2HZ   LYS  62           HZ2      LYS  62  15.793  -3.237  13.760
  511   3HZ   LYS  62           HZ1      LYS  62  15.344  -4.149  12.392
  512    H    MET  63           HN       MET  63  17.069   2.342   6.205
  513    HA   MET  63           HA       MET  63  18.158   2.446   4.218
  514   1HB   MET  63           HB2      MET  63  20.015   0.199   4.878
  515   2HB   MET  63           HB3      MET  63  20.353   1.753   4.148
  516   1HG   MET  63           HG2      MET  63  19.792   2.689   6.509
  517   2HG   MET  63           HG3      MET  63  20.115   1.035   7.017
  518   1HE   MET  63           HE3      MET  63  21.248   3.869   4.874
  519   2HE   MET  63           HE1      MET  63  22.113   4.500   6.272
  520   3HE   MET  63           HE2      MET  63  23.010   3.843   4.900
  521    H    GLU  64           HN       GLU  64  15.963   0.385   4.687
  522    HA   GLU  64           HA       GLU  64  16.600  -1.618   2.644
  523   1HB   GLU  64           HB2      GLU  64  14.155  -1.306   4.406
  524   2HB   GLU  64           HB3      GLU  64  14.404  -2.610   3.257
  525   1HG   GLU  64           HG2      GLU  64  16.193  -2.054   5.622
  526   2HG   GLU  64           HG3      GLU  64  14.891  -3.238   5.601
  527    H    MET  65           HN       MET  65  15.727  -1.639   0.638
  528    HA   MET  65           HA       MET  65  14.514   0.770  -0.375
  529   1HB   MET  65           HB2      MET  65  14.952  -1.880  -1.787
  530   2HB   MET  65           HB3      MET  65  14.645  -0.328  -2.546
  531   1HG   MET  65           HG2      MET  65  17.091  -1.053  -0.949
  532   2HG   MET  65           HG3      MET  65  16.989  -0.959  -2.706
  533   1HE   MET  65           HE1      MET  65  16.563   0.946  -4.028
  534   2HE   MET  65           HE2      MET  65  15.432   2.056  -3.254
  535   3HE   MET  65           HE3      MET  65  17.071   2.588  -3.640
  536    H    VAL  66           HN       VAL  66  12.494   0.892   0.730
  537    HA   VAL  66           HA       VAL  66  10.530  -1.178   0.002
  538    HB   VAL  66           HB       VAL  66   9.229  -0.499   1.996
  539   1HG1  VAL  66          HG11      VAL  66  12.075  -1.355   2.551
  540   2HG1  VAL  66          HG12      VAL  66  10.718  -1.533   3.661
  541   3HG1  VAL  66          HG13      VAL  66  10.730  -2.414   2.135
  542   1HG2  VAL  66          HG22      VAL  66  11.602   1.307   2.434
  543   2HG2  VAL  66          HG23      VAL  66   9.889   1.733   2.404
  544   3HG2  VAL  66          HG21      VAL  66  10.545   0.798   3.748
  545    H    TYR  67           HN       TYR  67   8.282  -0.478  -0.086
  546    HA   TYR  67           HA       TYR  67   7.943   1.686  -1.926
  547   1HB   TYR  67           HB2      TYR  67   6.085  -0.321  -0.651
  548   2HB   TYR  67           HB3      TYR  67   5.460   1.008  -1.612
  549    HD1  TYR  67           HD2      TYR  67   7.269   1.181  -3.861
  550    HD2  TYR  67           HD1      TYR  67   5.701  -2.251  -1.892
  551    HE1  TYR  67           HE2      TYR  67   7.507  -0.101  -5.934
  552    HE2  TYR  67           HE1      TYR  67   5.904  -3.557  -3.969
  553    HH   TYR  67           HH       TYR  67   6.459  -2.126  -6.977
  554    H    CYS  68           HN       CYS  68   7.110   3.647  -1.588
  555    HA   CYS  68           HA       CYS  68   5.749   4.289   0.913
  556   1HB   CYS  68           HB2      CYS  68   8.167   4.954   1.162
  557   2HB   CYS  68           HB3      CYS  68   7.947   6.070  -0.177
  558    HG   CYS  68           HG       CYS  68   6.391   6.401   2.501
  559    H    LEU  69           HN       LEU  69   4.812   6.585   0.709
  560    HA   LEU  69           HA       LEU  69   3.666   6.803  -1.995
  561   1HB   LEU  69           HB2      LEU  69   2.357   6.343   0.334
  562   2HB   LEU  69           HB3      LEU  69   2.248   8.088   0.244
  563    HG   LEU  69           HG       LEU  69   1.184   7.924  -1.956
  564   1HD1  LEU  69          HD11      LEU  69   2.030   5.126  -1.712
  565   2HD1  LEU  69          HD12      LEU  69   0.362   5.331  -2.244
  566   3HD1  LEU  69          HD13      LEU  69   1.670   6.087  -3.147
  567   1HD2  LEU  69          HD22      LEU  69  -0.079   7.797   0.257
  568   2HD2  LEU  69          HD23      LEU  69  -0.929   7.270  -1.194
  569   3HD2  LEU  69          HD21      LEU  69  -0.260   6.078  -0.082
  570    HA   PRO  70           HA       PRO  70   5.425  10.934  -2.385
  571   1HB   PRO  70           HB2      PRO  70   3.252  11.383  -4.343
  572   2HB   PRO  70           HB3      PRO  70   4.999  11.442  -4.571
  573   1HG   PRO  70           HG2      PRO  70   3.538   9.452  -5.572
  574   2HG   PRO  70           HG3      PRO  70   5.152   9.151  -4.897
  575   1HD   PRO  70           HD2      PRO  70   2.459   8.707  -3.638
  576   2HD   PRO  70           HD3      PRO  70   3.875   7.637  -3.685
  577    H    ALA  71           HN       ALA  71   3.588  12.972  -3.357
  578    HA   ALA  71           HA       ALA  71   2.541  13.961  -0.849
  579   1HB   ALA  71           HB2      ALA  71   3.614  15.386  -2.643
  580   2HB   ALA  71           HB3      ALA  71   2.129  15.184  -3.568
  581   3HB   ALA  71           HB1      ALA  71   2.089  15.981  -1.995
  582    H    GLU  72           HN       GLU  72   0.256  15.313  -2.076
  583    HA   GLU  72           HA       GLU  72  -1.743  13.320  -1.570
  584   1HB   GLU  72           HB2      GLU  72  -2.032  16.165  -2.573
  585   2HB   GLU  72           HB3      GLU  72  -3.357  15.137  -2.046
  586   1HG   GLU  72           HG2      GLU  72  -1.535  15.080   0.065
  587   2HG   GLU  72           HG3      GLU  72  -1.529  16.753  -0.483
  588    H    LEU  73           HN       LEU  73  -0.895  11.897  -3.338
  589    HA   LEU  73           HA       LEU  73  -1.815  12.602  -6.034
  590   1HB   LEU  73           HB2      LEU  73   0.503  11.553  -5.433
  591   2HB   LEU  73           HB3      LEU  73  -0.389  10.048  -5.346
  592    HG   LEU  73           HG       LEU  73  -1.192  10.563  -7.719
  593   1HD1  LEU  73          HD12      LEU  73   0.974  12.631  -7.440
  594   2HD1  LEU  73          HD13      LEU  73   0.426  12.011  -8.998
  595   3HD1  LEU  73          HD11      LEU  73  -0.699  12.865  -7.945
  596   1HD2  LEU  73          HD23      LEU  73   1.708  10.009  -7.135
  597   2HD2  LEU  73          HD21      LEU  73   0.404   8.838  -7.325
  598   3HD2  LEU  73          HD22      LEU  73   0.950   9.780  -8.713
  599    H    GLY  74           HN       GLY  74  -4.033  12.412  -5.774
  600   1HA   GLY  74           HA1      GLY  74  -5.285  10.018  -6.307
  601   2HA   GLY  74           HA2      GLY  74  -5.312  10.176  -4.553
  602    H    VAL  75           HN       VAL  75  -7.420  10.333  -6.728
  603    HA   VAL  75           HA       VAL  75  -8.404  12.892  -7.052
  604    HB   VAL  75           HB       VAL  75 -10.658  11.809  -7.390
  605   1HG1  VAL  75          HG23      VAL  75  -8.875  12.085  -9.157
  606   2HG1  VAL  75          HG21      VAL  75  -8.459  10.396  -8.873
  607   3HG1  VAL  75          HG22      VAL  75 -10.067  10.821  -9.456
  608   1HG2  VAL  75          HG13      VAL  75 -10.410   9.950  -5.814
  609   2HG2  VAL  75          HG11      VAL  75 -10.766   9.369  -7.438
  610   3HG2  VAL  75          HG12      VAL  75  -9.123   9.276  -6.808
  611    HA   PRO  76           HA       PRO  76  -9.934  14.201  -3.116
  612   1HB   PRO  76           HB2      PRO  76 -11.779  16.037  -3.913
  613   2HB   PRO  76           HB3      PRO  76 -10.037  16.298  -4.034
  614   1HG   PRO  76           HG2      PRO  76 -11.968  15.410  -6.149
  615   2HG   PRO  76           HG3      PRO  76 -10.676  16.620  -6.251
  616   1HD   PRO  76           HD2      PRO  76 -10.365  14.118  -7.197
  617   2HD   PRO  76           HD3      PRO  76  -9.022  15.033  -6.484
  618    H    THR  77           HN       THR  77 -12.026  12.637  -5.360
  619    HA   THR  77           HA       THR  77 -14.399  12.679  -3.726
  620    HB   THR  77           HB       THR  77 -14.402  12.536  -6.220
  621    HG1  THR  77           HG1      THR  77 -16.129  11.642  -4.765
  622   1HG2  THR  77          HG23      THR  77 -12.502  10.739  -6.247
  623   2HG2  THR  77          HG22      THR  77 -13.850   9.609  -6.131
  624   3HG2  THR  77          HG21      THR  77 -13.761  10.742  -7.479
  625    H    THR  78           HN       THR  78 -11.799  11.479  -2.648
  626    HA   THR  78           HA       THR  78 -13.035   9.203  -1.342
  627    HB   THR  78           HB       THR  78 -10.690   7.976  -1.778
  628    HG1  THR  78           HG1      THR  78 -10.340   9.932  -3.335
  629   1HG2  THR  78          HG23      THR  78 -12.960   7.091  -2.319
  630   2HG2  THR  78          HG22      THR  78 -12.809   7.859  -3.899
  631   3HG2  THR  78          HG21      THR  78 -11.674   6.599  -3.418
   
  No H/Q in entry =         631
  Start of MODEL    8
    1   1H    MET   1           HT1      MET   1 -14.329  -4.710  16.623
    2   2H    MET   1           HT3      MET   1 -13.641  -3.535  17.674
    3   3H    MET   1           HT2      MET   1 -15.045  -3.151  16.760
    4    HA   MET   1           HA       MET   1 -13.193  -2.134  15.774
    5   1HB   MET   1           HB2      MET   1 -12.041  -4.938  15.702
    6   2HB   MET   1           HB3      MET   1 -11.332  -3.541  14.905
    7   1HG   MET   1           HG2      MET   1 -11.420  -2.530  17.340
    8   2HG   MET   1           HG3      MET   1 -11.412  -4.233  17.791
    9   1HE   MET   1           HE3      MET   1 -10.038  -5.847  16.498
   10   2HE   MET   1           HE1      MET   1  -8.762  -5.405  15.368
   11   3HE   MET   1           HE2      MET   1  -8.374  -5.730  17.059
   12    H    ARG   2           HN       ARG   2 -14.319  -1.564  14.010
   13    HA   ARG   2           HA       ARG   2 -15.500  -3.582  12.247
   14   1HB   ARG   2           HB2      ARG   2 -15.660  -0.570  12.322
   15   2HB   ARG   2           HB3      ARG   2 -16.408  -1.532  11.059
   16   1HG   ARG   2           HG2      ARG   2 -17.035  -1.887  13.983
   17   2HG   ARG   2           HG3      ARG   2 -17.930  -0.799  12.919
   18   1HD   ARG   2           HD2      ARG   2 -19.227  -2.683  12.768
   19   2HD   ARG   2           HD3      ARG   2 -18.133  -2.937  11.408
   20    HE   ARG   2           HE       ARG   2 -17.359  -4.114  13.975
   21   1HH1  ARG   2          HH12      ARG   2 -18.804  -4.598  10.816
   22   2HH1  ARG   2          HH11      ARG   2 -18.608  -6.330  10.852
   23   1HH2  ARG   2          HH22      ARG   2 -17.113  -6.381  14.027
   24   2HH2  ARG   2          HH21      ARG   2 -17.654  -7.343  12.678
   25    H    SER   3           HN       SER   3 -13.115  -4.166  11.927
   26    HA   SER   3           HA       SER   3 -11.522  -2.550  10.193
   27   1HB   SER   3           HB2      SER   3 -11.132  -5.517  10.611
   28   2HB   SER   3           HB3      SER   3  -9.918  -4.277  10.307
   29    HG   SER   3           HG       SER   3 -10.378  -3.427  12.392
   30    H    SER   4           HN       SER   4 -12.012  -2.197   8.142
   31    HA   SER   4           HA       SER   4 -12.509  -2.491   5.959
   32   1HB   SER   4           HB2      SER   4 -12.453  -5.487   6.351
   33   2HB   SER   4           HB3      SER   4 -12.079  -4.565   4.897
   34    HG   SER   4           HG       SER   4 -10.104  -4.240   5.597
   35    H    ALA   5           HN       ALA   5 -14.632  -1.914   7.509
   36    HA   ALA   5           HA       ALA   5 -16.848  -3.727   7.103
   37   1HB   ALA   5           HB1      ALA   5 -16.751  -0.864   8.063
   38   2HB   ALA   5           HB2      ALA   5 -18.230  -1.820   7.948
   39   3HB   ALA   5           HB3      ALA   5 -16.939  -2.321   9.037
   40    H    LYS   6           HN       LYS   6 -16.299  -0.389   5.974
   41    HA   LYS   6           HA       LYS   6 -17.903  -0.897   3.568
   42   1HB   LYS   6           HB2      LYS   6 -16.564   1.662   4.503
   43   2HB   LYS   6           HB3      LYS   6 -17.666   1.507   3.141
   44   1HG   LYS   6           HG2      LYS   6 -19.514   1.067   4.581
   45   2HG   LYS   6           HG3      LYS   6 -18.462   0.880   5.979
   46   1HD   LYS   6           HD2      LYS   6 -19.538   3.045   6.074
   47   2HD   LYS   6           HD3      LYS   6 -17.811   3.255   5.785
   48   1HE   LYS   6           HE2      LYS   6 -19.214   4.756   4.402
   49   2HE   LYS   6           HE3      LYS   6 -18.202   3.678   3.443
   50   1HZ   LYS   6           HZ3      LYS   6 -21.069   3.189   4.047
   51   2HZ   LYS   6           HZ2      LYS   6 -20.488   3.866   2.595
   52   3HZ   LYS   6           HZ1      LYS   6 -20.080   2.268   3.013
   53    H    GLN   7           HN       GLN   7 -16.942  -0.545   1.427
   54    HA   GLN   7           HA       GLN   7 -14.291  -1.599   1.319
   55   1HB   GLN   7           HB2      GLN   7 -16.290  -1.879  -0.382
   56   2HB   GLN   7           HB3      GLN   7 -15.509  -0.510  -1.160
   57   1HG   GLN   7           HG2      GLN   7 -14.562  -2.401  -2.175
   58   2HG   GLN   7           HG3      GLN   7 -13.352  -1.834  -1.021
   59   1HE2  GLN   7          HE22      GLN   7 -13.175  -5.301  -0.304
   60   2HE2  GLN   7          HE21      GLN   7 -12.524  -4.049  -1.301
   61    H    GLU   8           HN       GLU   8 -15.367   1.614   1.551
   62    HA   GLU   8           HA       GLU   8 -13.102   2.781   0.146
   63   1HB   GLU   8           HB2      GLU   8 -13.966   4.917   1.251
   64   2HB   GLU   8           HB3      GLU   8 -14.979   4.154   0.040
   65   1HG   GLU   8           HG2      GLU   8 -16.497   3.353   1.638
   66   2HG   GLU   8           HG3      GLU   8 -15.379   3.649   2.971
   67    H    GLU   9           HN       GLU   9 -12.489   0.885   2.145
   68    HA   GLU   9           HA       GLU   9 -10.997   2.524   4.108
   69   1HB   GLU   9           HB2      GLU   9 -12.426  -0.087   4.489
   70   2HB   GLU   9           HB3      GLU   9 -11.009   0.280   5.463
   71   1HG   GLU   9           HG2      GLU   9 -12.036   1.984   6.588
   72   2HG   GLU   9           HG3      GLU   9 -13.172   2.314   5.284
   73    H    LEU  10           HN       LEU  10 -11.026  -0.281   1.992
   74    HA   LEU  10           HA       LEU  10  -8.500  -1.345   2.281
   75   1HB   LEU  10           HB2      LEU  10 -10.260  -2.257   0.831
   76   2HB   LEU  10           HB3      LEU  10 -10.077  -0.906  -0.266
   77    HG   LEU  10           HG       LEU  10  -7.940  -1.693  -1.014
   78   1HD1  LEU  10          HD13      LEU  10  -8.063  -3.350   1.438
   79   2HD1  LEU  10          HD11      LEU  10  -7.305  -4.080   0.029
   80   3HD1  LEU  10          HD12      LEU  10  -6.687  -2.561   0.673
   81   1HD2  LEU  10          HD23      LEU  10 -10.170  -2.854  -1.708
   82   2HD2  LEU  10          HD21      LEU  10  -8.635  -3.562  -2.203
   83   3HD2  LEU  10          HD22      LEU  10  -9.511  -4.234  -0.829
   84    H    VAL  11           HN       VAL  11  -9.419   1.667   0.810
   85    HA   VAL  11           HA       VAL  11  -6.901   2.216  -0.475
   86    HB   VAL  11           HB       VAL  11  -9.215   4.054   0.248
   87   1HG1  VAL  11          HG12      VAL  11  -6.582   4.608  -0.971
   88   2HG1  VAL  11          HG13      VAL  11  -7.972   5.305  -1.797
   89   3HG1  VAL  11          HG11      VAL  11  -7.679   5.677  -0.101
   90   1HG2  VAL  11          HG23      VAL  11  -8.489   2.642  -2.309
   91   2HG2  VAL  11          HG21      VAL  11  -9.941   2.427  -1.336
   92   3HG2  VAL  11          HG22      VAL  11  -9.680   3.935  -2.207
   93    H    LYS  12           HN       LYS  12  -8.470   3.383   2.571
   94    HA   LYS  12           HA       LYS  12  -6.357   5.080   3.357
   95   1HB   LYS  12           HB2      LYS  12  -8.500   3.693   4.958
   96   2HB   LYS  12           HB3      LYS  12  -7.294   4.718   5.717
   97   1HG   LYS  12           HG2      LYS  12  -8.767   6.366   5.383
   98   2HG   LYS  12           HG3      LYS  12  -8.178   6.344   3.722
   99   1HD   LYS  12           HD2      LYS  12 -10.362   6.072   3.213
  100   2HD   LYS  12           HD3      LYS  12 -10.019   4.391   3.593
  101   1HE   LYS  12           HE2      LYS  12 -11.813   4.634   4.974
  102   2HE   LYS  12           HE3      LYS  12 -10.592   5.274   6.064
  103   1HZ   LYS  12           HZ2      LYS  12 -11.342   7.434   4.570
  104   2HZ   LYS  12           HZ1      LYS  12 -12.807   6.603   4.831
  105   3HZ   LYS  12           HZ3      LYS  12 -11.850   7.082   6.157
  106    H    ALA  13           HN       ALA  13  -6.969   1.658   3.992
  107    HA   ALA  13           HA       ALA  13  -4.776   1.197   5.730
  108   1HB   ALA  13           HB3      ALA  13  -6.699  -0.337   5.521
  109   2HB   ALA  13           HB1      ALA  13  -6.145  -0.793   3.907
  110   3HB   ALA  13           HB2      ALA  13  -5.153  -1.160   5.321
  111    H    PHE  14           HN       PHE  14  -5.124   0.879   2.193
  112    HA   PHE  14           HA       PHE  14  -2.608  -0.210   1.620
  113   1HB   PHE  14           HB2      PHE  14  -4.607   0.093   0.031
  114   2HB   PHE  14           HB3      PHE  14  -4.037   1.732  -0.221
  115    HD1  PHE  14           HD1      PHE  14  -3.168  -1.848  -0.579
  116    HD2  PHE  14           HD2      PHE  14  -2.157   2.159  -1.616
  117    HE1  PHE  14           HE1      PHE  14  -1.585  -2.683  -2.259
  118    HE2  PHE  14           HE2      PHE  14  -0.567   1.321  -3.297
  119    HZ   PHE  14           HZ       PHE  14  -0.284  -1.093  -3.612
  120    H    LYS  15           HN       LYS  15  -3.551   3.214   1.212
  121    HA   LYS  15           HA       LYS  15  -1.080   4.309   0.748
  122   1HB   LYS  15           HB2      LYS  15  -3.227   5.710   2.361
  123   2HB   LYS  15           HB3      LYS  15  -2.077   6.428   1.236
  124   1HG   LYS  15           HG2      LYS  15  -4.031   4.425   0.203
  125   2HG   LYS  15           HG3      LYS  15  -4.600   6.046   0.558
  126   1HD   LYS  15           HD2      LYS  15  -2.103   5.841  -0.996
  127   2HD   LYS  15           HD3      LYS  15  -3.541   5.234  -1.791
  128   1HE   LYS  15           HE2      LYS  15  -2.794   7.783  -2.002
  129   2HE   LYS  15           HE3      LYS  15  -4.491   7.298  -1.987
  130   1HZ   LYS  15           HZ3      LYS  15  -4.012   7.622   0.635
  131   2HZ   LYS  15           HZ2      LYS  15  -2.994   8.812  -0.025
  132   3HZ   LYS  15           HZ1      LYS  15  -4.660   8.814  -0.381
  133    H    ALA  16           HN       ALA  16  -2.587   3.718   3.893
  134    HA   ALA  16           HA       ALA  16  -0.705   5.043   5.508
  135   1HB   ALA  16           HB1      ALA  16  -2.536   2.736   6.176
  136   2HB   ALA  16           HB2      ALA  16  -1.620   3.671   7.359
  137   3HB   ALA  16           HB3      ALA  16  -2.868   4.455   6.390
  138    H    LEU  17           HN       LEU  17  -0.932   1.579   4.621
  139    HA   LEU  17           HA       LEU  17   1.264   0.620   6.039
  140   1HB   LEU  17           HB2      LEU  17   0.088  -0.282   3.405
  141   2HB   LEU  17           HB3      LEU  17   1.373  -1.158   4.205
  142    HG   LEU  17           HG       LEU  17  -1.363  -0.673   5.361
  143   1HD1  LEU  17          HD13      LEU  17  -0.155  -3.073   4.011
  144   2HD1  LEU  17          HD11      LEU  17  -1.651  -3.115   4.949
  145   3HD1  LEU  17          HD12      LEU  17  -1.556  -2.136   3.483
  146   1HD2  LEU  17          HD23      LEU  17   0.779  -1.117   6.862
  147   2HD2  LEU  17          HD21      LEU  17  -0.781  -1.846   7.222
  148   3HD2  LEU  17          HD22      LEU  17   0.457  -2.777   6.381
  149    H    LEU  18           HN       LEU  18   1.169   1.851   2.707
  150    HA   LEU  18           HA       LEU  18   3.897   1.430   2.104
  151   1HB   LEU  18           HB2      LEU  18   2.126   3.640   1.060
  152   2HB   LEU  18           HB3      LEU  18   3.611   3.068   0.323
  153    HG   LEU  18           HG       LEU  18   1.202   1.306   0.689
  154   1HD1  LEU  18          HD13      LEU  18   1.184   3.547  -0.849
  155   2HD1  LEU  18          HD11      LEU  18   1.744   2.322  -1.994
  156   3HD1  LEU  18          HD12      LEU  18   0.220   2.101  -1.142
  157   1HD2  LEU  18          HD22      LEU  18   3.373   0.177   0.350
  158   2HD2  LEU  18          HD23      LEU  18   2.259  -0.073  -0.995
  159   3HD2  LEU  18          HD21      LEU  18   3.575   1.085  -1.151
  160    H    LYS  19           HN       LYS  19   2.259   4.297   3.414
  161    HA   LYS  19           HA       LYS  19   4.553   5.912   3.525
  162   1HB   LYS  19           HB2      LYS  19   1.929   6.065   4.998
  163   2HB   LYS  19           HB3      LYS  19   3.167   7.317   5.086
  164   1HG   LYS  19           HG2      LYS  19   3.015   7.660   2.680
  165   2HG   LYS  19           HG3      LYS  19   1.813   6.376   2.549
  166   1HD   LYS  19           HD2      LYS  19   0.449   8.238   2.635
  167   2HD   LYS  19           HD3      LYS  19   0.540   7.825   4.343
  168   1HE   LYS  19           HE2      LYS  19   0.841  10.234   3.966
  169   2HE   LYS  19           HE3      LYS  19   2.273   9.499   4.686
  170   1HZ   LYS  19           HZ1      LYS  19   1.968  10.010   1.775
  171   2HZ   LYS  19           HZ3      LYS  19   2.739  11.084   2.847
  172   3HZ   LYS  19           HZ2      LYS  19   3.381   9.531   2.598
  173    H    GLU  20           HN       GLU  20   3.941   3.193   5.428
  174    HA   GLU  20           HA       GLU  20   5.145   4.135   7.895
  175   1HB   GLU  20           HB2      GLU  20   4.473   1.360   6.894
  176   2HB   GLU  20           HB3      GLU  20   5.221   1.670   8.453
  177   1HG   GLU  20           HG2      GLU  20   3.264   2.978   9.135
  178   2HG   GLU  20           HG3      GLU  20   2.514   2.655   7.576
  179    H    GLU  21           HN       GLU  21   6.240   2.843   4.860
  180    HA   GLU  21           HA       GLU  21   8.279   2.349   3.992
  181   1HB   GLU  21           HB2      GLU  21   9.479   3.712   6.409
  182   2HB   GLU  21           HB3      GLU  21  10.238   3.453   4.847
  183   1HG   GLU  21           HG2      GLU  21   8.803   5.041   3.793
  184   2HG   GLU  21           HG3      GLU  21   7.802   5.182   5.235
  185    H    LYS  22           HN       LYS  22   7.194   0.264   5.012
  186    HA   LYS  22           HA       LYS  22   9.219  -1.140   6.645
  187   1HB   LYS  22           HB2      LYS  22   7.326  -0.782   8.038
  188   2HB   LYS  22           HB3      LYS  22   6.200  -1.198   6.756
  189   1HG   LYS  22           HG2      LYS  22   6.457  -3.453   7.066
  190   2HG   LYS  22           HG3      LYS  22   8.085  -3.293   7.728
  191   1HD   LYS  22           HD2      LYS  22   7.328  -3.101   9.836
  192   2HD   LYS  22           HD3      LYS  22   6.075  -1.954   9.363
  193   1HE   LYS  22           HE2      LYS  22   4.892  -3.792  10.197
  194   2HE   LYS  22           HE3      LYS  22   4.800  -3.979   8.445
  195   1HZ   LYS  22           HZ3      LYS  22   6.937  -5.416   8.858
  196   2HZ   LYS  22           HZ2      LYS  22   6.286  -5.555  10.425
  197   3HZ   LYS  22           HZ1      LYS  22   5.383  -6.081   9.076
  198    H    PHE  23           HN       PHE  23   6.637  -1.510   4.242
  199    HA   PHE  23           HA       PHE  23   7.424  -4.195   3.536
  200   1HB   PHE  23           HB2      PHE  23   5.441  -2.357   2.171
  201   2HB   PHE  23           HB3      PHE  23   5.537  -4.119   2.020
  202    HD1  PHE  23           HD1      PHE  23   5.367  -5.453   4.255
  203    HD2  PHE  23           HD2      PHE  23   4.010  -1.448   3.800
  204    HE1  PHE  23           HE1      PHE  23   3.958  -5.709   6.248
  205    HE2  PHE  23           HE2      PHE  23   2.610  -1.697   5.799
  206    HZ   PHE  23           HZ       PHE  23   2.567  -3.832   7.020
  207    H    SER  24           HN       SER  24   8.767  -4.793   1.967
  208    HA   SER  24           HA       SER  24   9.869  -2.733   0.187
  209   1HB   SER  24           HB2      SER  24  11.275  -5.317   0.283
  210   2HB   SER  24           HB3      SER  24  11.910  -3.684   0.389
  211    HG   SER  24           HG       SER  24  12.224  -4.291   2.402
  212    H    SER  25           HN       SER  25   7.717  -5.299   0.041
  213    HA   SER  25           HA       SER  25   7.782  -5.199  -2.861
  214   1HB   SER  25           HB2      SER  25   7.534  -7.797  -2.885
  215   2HB   SER  25           HB3      SER  25   9.140  -7.088  -2.764
  216    HG   SER  25           HG       SER  25   8.613  -7.313  -0.333
  217    H    GLN  26           HN       GLN  26   5.892  -6.268  -3.822
  218    HA   GLN  26           HA       GLN  26   3.466  -5.344  -2.798
  219   1HB   GLN  26           HB2      GLN  26   3.543  -7.718  -4.626
  220   2HB   GLN  26           HB3      GLN  26   2.489  -6.335  -4.643
  221   1HG   GLN  26           HG2      GLN  26   4.420  -4.934  -5.381
  222   2HG   GLN  26           HG3      GLN  26   5.361  -6.419  -5.525
  223   1HE2  GLN  26          HE22      GLN  26   3.666  -5.330  -8.753
  224   2HE2  GLN  26          HE21      GLN  26   4.438  -4.394  -7.521
  225    H    GLY  27           HN       GLY  27   4.487  -8.746  -3.018
  226   1HA   GLY  27           HA1      GLY  27   2.520 -10.080  -1.736
  227   2HA   GLY  27           HA2      GLY  27   4.199 -10.536  -1.577
  228    H    GLU  28           HN       GLU  28   5.018  -8.228  -0.010
  229    HA   GLU  28           HA       GLU  28   4.357  -9.190   2.581
  230   1HB   GLU  28           HB2      GLU  28   5.745  -6.595   1.873
  231   2HB   GLU  28           HB3      GLU  28   5.799  -7.437   3.420
  232   1HG   GLU  28           HG2      GLU  28   6.869  -9.362   2.256
  233   2HG   GLU  28           HG3      GLU  28   6.955  -8.369   0.805
  234    H    ILE  29           HN       ILE  29   3.318  -6.297   0.767
  235    HA   ILE  29           HA       ILE  29   1.728  -5.314   2.967
  236    HB   ILE  29           HB       ILE  29   2.133  -3.438   1.868
  237   1HG1  ILE  29          HG12      ILE  29   0.008  -4.325  -0.087
  238   2HG1  ILE  29          HG13      ILE  29  -0.305  -3.646   1.509
  239   1HG2  ILE  29          HG21      ILE  29   3.689  -4.542   0.314
  240   2HG2  ILE  29          HG22      ILE  29   2.344  -4.820  -0.787
  241   3HG2  ILE  29          HG23      ILE  29   2.841  -3.180  -0.404
  242   1HD1  ILE  29          HD11      ILE  29   1.288  -1.734   0.488
  243   2HD1  ILE  29          HD12      ILE  29   0.519  -2.325  -0.985
  244   3HD1  ILE  29          HD13      ILE  29  -0.468  -1.731   0.351
  245    H    VAL  30           HN       VAL  30   1.256  -7.573   0.399
  246    HA   VAL  30           HA       VAL  30  -1.601  -7.589   0.287
  247    HB   VAL  30           HB       VAL  30   0.276  -9.933  -0.179
  248   1HG1  VAL  30          HG12      VAL  30  -2.056 -10.595   0.117
  249   2HG1  VAL  30          HG13      VAL  30  -2.538  -9.458  -1.142
  250   3HG1  VAL  30          HG11      VAL  30  -1.524 -10.842  -1.543
  251   1HG2  VAL  30          HG23      VAL  30   0.463  -7.697  -1.617
  252   2HG2  VAL  30          HG21      VAL  30   0.650  -9.294  -2.325
  253   3HG2  VAL  30          HG22      VAL  30  -0.883  -8.445  -2.459
  254    H    ALA  31           HN       ALA  31   0.789  -9.521   2.063
  255    HA   ALA  31           HA       ALA  31  -0.972 -11.031   3.647
  256   1HB   ALA  31           HB1      ALA  31   1.913 -10.243   3.970
  257   2HB   ALA  31           HB2      ALA  31   1.083 -11.254   5.151
  258   3HB   ALA  31           HB3      ALA  31   1.238 -11.799   3.481
  259    H    ALA  32           HN       ALA  32   0.498  -7.850   4.179
  260    HA   ALA  32           HA       ALA  32  -0.228  -7.469   6.860
  261   1HB   ALA  32           HB1      ALA  32   1.386  -6.063   5.630
  262   2HB   ALA  32           HB2      ALA  32   0.044  -5.333   4.749
  263   3HB   ALA  32           HB3      ALA  32   0.171  -5.122   6.496
  264    H    LEU  33           HN       LEU  33  -1.996  -6.559   3.883
  265    HA   LEU  33           HA       LEU  33  -4.209  -5.410   5.230
  266   1HB   LEU  33           HB2      LEU  33  -4.074  -6.586   2.454
  267   2HB   LEU  33           HB3      LEU  33  -5.401  -5.616   3.074
  268    HG   LEU  33           HG       LEU  33  -2.632  -4.468   3.087
  269   1HD1  LEU  33          HD13      LEU  33  -2.955  -5.365   0.822
  270   2HD1  LEU  33          HD11      LEU  33  -4.459  -4.453   0.693
  271   3HD1  LEU  33          HD12      LEU  33  -2.923  -3.604   0.854
  272   1HD2  LEU  33          HD21      LEU  33  -5.423  -3.356   2.883
  273   2HD2  LEU  33          HD22      LEU  33  -4.278  -3.175   4.210
  274   3HD2  LEU  33          HD23      LEU  33  -3.967  -2.388   2.665
  275    H    GLN  34           HN       GLN  34  -3.494  -8.737   4.253
  276    HA   GLN  34           HA       GLN  34  -6.064  -9.844   4.696
  277   1HB   GLN  34           HB2      GLN  34  -3.300 -11.057   4.875
  278   2HB   GLN  34           HB3      GLN  34  -4.762 -11.999   5.126
  279   1HG   GLN  34           HG2      GLN  34  -5.478 -11.687   2.900
  280   2HG   GLN  34           HG3      GLN  34  -4.283 -10.423   2.614
  281   1HE2  GLN  34          HE22      GLN  34  -2.867 -13.278   0.929
  282   2HE2  GLN  34          HE21      GLN  34  -4.117 -12.096   0.732
  283    H    GLU  35           HN       GLU  35  -3.360  -9.157   6.885
  284    HA   GLU  35           HA       GLU  35  -4.567 -10.302   9.229
  285   1HB   GLU  35           HB2      GLU  35  -2.338  -8.260   8.986
  286   2HB   GLU  35           HB3      GLU  35  -2.783  -9.108  10.460
  287   1HG   GLU  35           HG2      GLU  35  -2.084 -11.205   9.551
  288   2HG   GLU  35           HG3      GLU  35  -1.834 -10.491   7.962
  289    H    GLN  36           HN       GLN  36  -4.558  -7.103   7.729
  290    HA   GLN  36           HA       GLN  36  -5.524  -5.557   9.850
  291   1HB   GLN  36           HB2      GLN  36  -5.822  -5.237   6.865
  292   2HB   GLN  36           HB3      GLN  36  -6.439  -4.049   7.998
  293   1HG   GLN  36           HG2      GLN  36  -3.584  -4.893   8.193
  294   2HG   GLN  36           HG3      GLN  36  -4.067  -3.795   6.906
  295   1HE2  GLN  36          HE22      GLN  36  -4.048  -1.014   8.968
  296   2HE2  GLN  36          HE21      GLN  36  -4.032  -1.696   7.380
  297    H    GLY  37           HN       GLY  37  -7.389  -7.193   7.268
  298   1HA   GLY  37           HA1      GLY  37  -9.456  -8.186   8.722
  299   2HA   GLY  37           HA2      GLY  37  -9.903  -6.495   8.541
  300    H    PHE  38           HN       PHE  38  -8.220  -7.262   5.796
  301    HA   PHE  38           HA       PHE  38 -10.700  -7.372   4.291
  302   1HB   PHE  38           HB2      PHE  38  -7.845  -7.244   3.290
  303   2HB   PHE  38           HB3      PHE  38  -9.303  -6.971   2.337
  304    HD1  PHE  38           HD2      PHE  38  -7.271  -5.653   5.110
  305    HD2  PHE  38           HD1      PHE  38 -10.474  -4.901   2.433
  306    HE1  PHE  38           HE2      PHE  38  -7.288  -3.318   5.828
  307    HE2  PHE  38           HE1      PHE  38 -10.494  -2.543   3.145
  308    HZ   PHE  38           HZ       PHE  38  -8.896  -1.751   4.839
  309    H    ASP  39           HN       ASP  39 -10.969  -8.847   2.450
  310    HA   ASP  39           HA       ASP  39  -9.723 -11.443   2.736
  311   1HB   ASP  39           HB2      ASP  39 -11.859 -12.625   2.707
  312   2HB   ASP  39           HB3      ASP  39 -11.791 -11.552   4.099
  313    H    ASN  40           HN       ASN  40  -9.418 -12.410   0.923
  314    HA   ASN  40           HA       ASN  40  -9.337 -12.969  -1.299
  315   1HB   ASN  40           HB2      ASN  40 -11.546 -10.942  -1.768
  316   2HB   ASN  40           HB3      ASN  40 -10.901 -12.051  -2.961
  317   1HD2  ASN  40          HD22      ASN  40 -13.961 -13.231  -0.882
  318   2HD2  ASN  40          HD21      ASN  40 -13.484 -11.599  -1.170
  319    H    ILE  41           HN       ILE  41  -7.652 -11.214  -0.035
  320    HA   ILE  41           HA       ILE  41  -7.080  -9.078  -1.954
  321    HB   ILE  41           HB       ILE  41  -6.446  -9.534   0.918
  322   1HG1  ILE  41          HG12      ILE  41  -7.014  -7.219   1.116
  323   2HG1  ILE  41          HG13      ILE  41  -6.834  -6.961  -0.613
  324   1HG2  ILE  41          HG22      ILE  41  -4.519  -8.221  -0.961
  325   2HG2  ILE  41          HG23      ILE  41  -4.654  -7.713   0.717
  326   3HG2  ILE  41          HG21      ILE  41  -4.209  -9.372   0.340
  327   1HD1  ILE  41          HD12      ILE  41  -8.945  -8.694   0.611
  328   2HD1  ILE  41          HD13      ILE  41  -9.169  -7.009   0.144
  329   3HD1  ILE  41          HD11      ILE  41  -8.798  -8.219  -1.081
  330    H    ASN  42           HN       ASN  42  -5.800  -9.581  -3.552
  331    HA   ASN  42           HA       ASN  42  -3.698 -11.633  -3.196
  332   1HB   ASN  42           HB2      ASN  42  -3.932 -11.967  -5.710
  333   2HB   ASN  42           HB3      ASN  42  -5.286 -12.511  -4.731
  334   1HD2  ASN  42          HD22      ASN  42  -7.608 -10.518  -6.335
  335   2HD2  ASN  42          HD21      ASN  42  -7.254 -11.797  -5.224
  336    H    GLN  43           HN       GLN  43  -1.961 -11.431  -4.973
  337    HA   GLN  43           HA       GLN  43  -0.505  -9.064  -4.542
  338   1HB   GLN  43           HB2      GLN  43   0.167 -11.538  -5.338
  339   2HB   GLN  43           HB3      GLN  43   0.195 -10.737  -6.902
  340   1HG   GLN  43           HG2      GLN  43   1.872  -9.219  -6.193
  341   2HG   GLN  43           HG3      GLN  43   1.695  -9.704  -4.507
  342   1HE2  GLN  43          HE22      GLN  43   3.506 -12.744  -4.894
  343   2HE2  GLN  43          HE21      GLN  43   2.188 -12.009  -4.039
  344    H    SER  44           HN       SER  44  -2.413 -10.105  -7.362
  345    HA   SER  44           HA       SER  44  -1.742  -8.091  -9.138
  346   1HB   SER  44           HB2      SER  44  -4.426  -9.386  -8.898
  347   2HB   SER  44           HB3      SER  44  -3.709  -8.693 -10.331
  348    HG   SER  44           HG       SER  44  -2.701 -10.939  -8.914
  349    H    LYS  45           HN       LYS  45  -4.167  -8.087  -6.578
  350    HA   LYS  45           HA       LYS  45  -5.313  -5.552  -7.188
  351   1HB   LYS  45           HB2      LYS  45  -6.664  -6.933  -5.872
  352   2HB   LYS  45           HB3      LYS  45  -5.341  -7.416  -4.828
  353   1HG   LYS  45           HG2      LYS  45  -6.264  -4.577  -4.754
  354   2HG   LYS  45           HG3      LYS  45  -7.226  -5.823  -3.981
  355   1HD   LYS  45           HD2      LYS  45  -5.769  -6.100  -2.295
  356   2HD   LYS  45           HD3      LYS  45  -4.366  -6.001  -3.350
  357   1HE   LYS  45           HE2      LYS  45  -4.614  -4.176  -1.609
  358   2HE   LYS  45           HE3      LYS  45  -4.349  -3.641  -3.264
  359   1HZ   LYS  45           HZ2      LYS  45  -6.821  -3.387  -3.436
  360   2HZ   LYS  45           HZ1      LYS  45  -6.910  -3.666  -1.766
  361   3HZ   LYS  45           HZ3      LYS  45  -6.071  -2.319  -2.353
  362    H    VAL  46           HN       VAL  46  -2.513  -6.579  -5.363
  363    HA   VAL  46           HA       VAL  46  -2.058  -4.049  -4.051
  364    HB   VAL  46           HB       VAL  46  -0.547  -6.636  -4.164
  365   1HG1  VAL  46          HG11      VAL  46   1.145  -4.859  -4.145
  366   2HG1  VAL  46          HG12      VAL  46   0.362  -4.148  -2.729
  367   3HG1  VAL  46          HG13      VAL  46   1.100  -5.746  -2.633
  368   1HG2  VAL  46          HG22      VAL  46  -2.218  -5.131  -2.198
  369   2HG2  VAL  46          HG23      VAL  46  -2.245  -6.840  -2.620
  370   3HG2  VAL  46          HG21      VAL  46  -0.961  -6.202  -1.597
  371    H    SER  47           HN       SER  47  -0.734  -5.733  -6.892
  372    HA   SER  47           HA       SER  47   1.226  -3.739  -7.501
  373   1HB   SER  47           HB2      SER  47   1.419  -4.873  -9.679
  374   2HB   SER  47           HB3      SER  47   1.422  -6.038  -8.361
  375    HG   SER  47           HG       SER  47  -0.029  -6.935  -9.626
  376    H    ARG  48           HN       ARG  48  -2.142  -4.278  -8.443
  377    HA   ARG  48           HA       ARG  48  -2.315  -2.248 -10.415
  378   1HB   ARG  48           HB2      ARG  48  -4.419  -3.582  -8.713
  379   2HB   ARG  48           HB3      ARG  48  -4.809  -2.358  -9.916
  380   1HG   ARG  48           HG2      ARG  48  -3.133  -4.640 -10.805
  381   2HG   ARG  48           HG3      ARG  48  -4.825  -4.968 -10.445
  382   1HD   ARG  48           HD2      ARG  48  -3.899  -2.787 -12.315
  383   2HD   ARG  48           HD3      ARG  48  -4.338  -4.415 -12.838
  384    HE   ARG  48           HE       ARG  48  -6.416  -3.192 -11.294
  385   1HH1  ARG  48          HH12      ARG  48  -4.979  -3.305 -14.487
  386   2HH1  ARG  48          HH11      ARG  48  -6.448  -2.843 -15.302
  387   1HH2  ARG  48          HH22      ARG  48  -8.325  -2.580 -12.340
  388   2HH2  ARG  48          HH21      ARG  48  -8.359  -2.415 -14.075
  389    H    MET  49           HN       MET  49  -3.102  -2.250  -6.935
  390    HA   MET  49           HA       MET  49  -3.883   0.457  -6.797
  391   1HB   MET  49           HB2      MET  49  -3.056  -1.579  -4.770
  392   2HB   MET  49           HB3      MET  49  -3.156   0.107  -4.283
  393   1HG   MET  49           HG2      MET  49  -5.520  -0.029  -5.416
  394   2HG   MET  49           HG3      MET  49  -5.323  -1.749  -5.111
  395   1HE   MET  49           HE2      MET  49  -7.183   0.880  -4.076
  396   2HE   MET  49           HE3      MET  49  -7.847  -0.685  -3.600
  397   3HE   MET  49           HE1      MET  49  -7.532   0.549  -2.379
  398    H    LEU  50           HN       LEU  50  -0.700  -1.064  -6.577
  399    HA   LEU  50           HA       LEU  50   0.761   1.147  -5.590
  400   1HB   LEU  50           HB2      LEU  50   1.461  -1.302  -7.177
  401   2HB   LEU  50           HB3      LEU  50   2.653  -0.020  -7.057
  402    HG   LEU  50           HG       LEU  50   1.412  -1.113  -4.574
  403   1HD1  LEU  50          HD11      LEU  50   3.446  -2.462  -6.286
  404   2HD1  LEU  50          HD12      LEU  50   3.518  -2.621  -4.534
  405   3HD1  LEU  50          HD13      LEU  50   2.087  -3.156  -5.404
  406   1HD2  LEU  50          HD23      LEU  50   3.979   0.247  -5.269
  407   2HD2  LEU  50          HD21      LEU  50   2.718   0.752  -4.137
  408   3HD2  LEU  50          HD22      LEU  50   3.755  -0.618  -3.750
  409    H    THR  51           HN       THR  51  -0.061   0.132  -8.891
  410    HA   THR  51           HA       THR  51   1.235   2.344 -10.185
  411    HB   THR  51           HB       THR  51  -0.949   0.739 -11.497
  412    HG1  THR  51           HG1      THR  51   0.156  -0.906 -10.554
  413   1HG2  THR  51          HG23      THR  51   0.246   2.443 -12.808
  414   2HG2  THR  51          HG22      THR  51   1.762   1.592 -12.497
  415   3HG2  THR  51          HG21      THR  51   0.483   0.809 -13.429
  416    H    LYS  52           HN       LYS  52  -2.041   1.649  -9.091
  417    HA   LYS  52           HA       LYS  52  -3.355   3.819 -10.354
  418   1HB   LYS  52           HB2      LYS  52  -4.531   1.822  -9.514
  419   2HB   LYS  52           HB3      LYS  52  -4.131   2.274  -7.864
  420   1HG   LYS  52           HG2      LYS  52  -5.547   4.356  -9.371
  421   2HG   LYS  52           HG3      LYS  52  -6.461   2.868  -9.143
  422   1HD   LYS  52           HD2      LYS  52  -6.514   3.077  -6.850
  423   2HD   LYS  52           HD3      LYS  52  -5.054   4.065  -6.792
  424   1HE   LYS  52           HE2      LYS  52  -7.664   5.015  -7.958
  425   2HE   LYS  52           HE3      LYS  52  -7.202   5.278  -6.280
  426   1HZ   LYS  52           HZ2      LYS  52  -5.120   6.092  -8.026
  427   2HZ   LYS  52           HZ1      LYS  52  -6.575   6.859  -8.457
  428   3HZ   LYS  52           HZ3      LYS  52  -5.972   7.006  -6.870
  429    H    PHE  53           HN       PHE  53  -1.823   3.487  -7.174
  430    HA   PHE  53           HA       PHE  53  -2.637   6.184  -6.397
  431   1HB   PHE  53           HB2      PHE  53  -1.268   3.914  -4.946
  432   2HB   PHE  53           HB3      PHE  53  -1.352   5.530  -4.254
  433    HD1  PHE  53           HD2      PHE  53  -3.977   6.490  -4.742
  434    HD2  PHE  53           HD1      PHE  53  -2.746   2.494  -3.921
  435    HE1  PHE  53           HE2      PHE  53  -6.215   5.977  -3.865
  436    HE2  PHE  53           HE1      PHE  53  -4.975   1.993  -3.034
  437    HZ   PHE  53           HZ       PHE  53  -6.714   3.729  -3.015
  438    H    GLY  54           HN       GLY  54   0.122   4.607  -7.757
  439   1HA   GLY  54           HA1      GLY  54   2.045   5.566  -8.619
  440   2HA   GLY  54           HA2      GLY  54   1.515   7.120  -7.996
  441    H    ALA  55           HN       ALA  55   2.481   3.970  -6.642
  442    HA   ALA  55           HA       ALA  55   3.713   5.222  -4.348
  443   1HB   ALA  55           HB3      ALA  55   2.534   3.060  -4.183
  444   2HB   ALA  55           HB1      ALA  55   3.787   2.332  -5.188
  445   3HB   ALA  55           HB2      ALA  55   4.197   2.982  -3.600
  446    H    VAL  56           HN       VAL  56   5.890   5.291  -3.846
  447    HA   VAL  56           HA       VAL  56   7.788   4.710  -6.039
  448    HB   VAL  56           HB       VAL  56   9.128   6.631  -5.348
  449   1HG1  VAL  56          HG11      VAL  56   6.251   7.216  -6.022
  450   2HG1  VAL  56          HG12      VAL  56   7.508   8.453  -6.015
  451   3HG1  VAL  56          HG13      VAL  56   7.624   7.080  -7.118
  452   1HG2  VAL  56          HG23      VAL  56   7.002   6.975  -3.250
  453   2HG2  VAL  56          HG21      VAL  56   8.756   6.970  -3.067
  454   3HG2  VAL  56          HG22      VAL  56   7.950   8.347  -3.817
  455    H    ARG  57           HN       ARG  57   9.642   3.636  -5.508
  456    HA   ARG  57           HA       ARG  57   9.839   2.565  -2.798
  457   1HB   ARG  57           HB2      ARG  57  11.549   1.992  -5.216
  458   2HB   ARG  57           HB3      ARG  57  11.611   1.134  -3.687
  459   1HG   ARG  57           HG2      ARG  57   9.462   0.185  -4.035
  460   2HG   ARG  57           HG3      ARG  57   9.148   1.236  -5.416
  461   1HD   ARG  57           HD2      ARG  57   9.729  -1.081  -6.061
  462   2HD   ARG  57           HD3      ARG  57  10.832   0.122  -6.720
  463    HE   ARG  57           HE       ARG  57  11.438  -1.540  -4.338
  464   1HH1  ARG  57          HH12      ARG  57  12.469  -0.020  -7.339
  465   2HH1  ARG  57          HH11      ARG  57  14.110  -0.580  -7.189
  466   1HH2  ARG  57          HH22      ARG  57  13.589  -2.280  -4.166
  467   2HH2  ARG  57          HH21      ARG  57  14.739  -1.856  -5.408
  468    H    THR  58           HN       THR  58  11.330   3.199  -1.321
  469    HA   THR  58           HA       THR  58  13.591   4.870  -2.145
  470    HB   THR  58           HB       THR  58  11.646   6.408  -1.790
  471    HG1  THR  58           HG1      THR  58  13.372   7.561  -1.437
  472   1HG2  THR  58          HG23      THR  58  10.583   5.148   0.070
  473   2HG2  THR  58          HG22      THR  58  11.874   5.723   1.125
  474   3HG2  THR  58          HG21      THR  58  10.780   6.876   0.360
  475    H    ARG  59           HN       ARG  59  14.935   5.499  -0.189
  476    HA   ARG  59           HA       ARG  59  15.405   3.112   1.407
  477   1HB   ARG  59           HB2      ARG  59  16.969   5.455   0.522
  478   2HB   ARG  59           HB3      ARG  59  17.321   4.912   2.149
  479   1HG   ARG  59           HG2      ARG  59  17.575   2.579   1.122
  480   2HG   ARG  59           HG3      ARG  59  17.666   3.428  -0.421
  481   1HD   ARG  59           HD2      ARG  59  19.402   4.306   1.866
  482   2HD   ARG  59           HD3      ARG  59  19.845   2.882   0.930
  483    HE   ARG  59           HE       ARG  59  20.243   4.210  -0.939
  484   1HH1  ARG  59          HH12      ARG  59  19.107   6.175   1.750
  485   2HH1  ARG  59          HH11      ARG  59  19.597   7.671   1.015
  486   1HH2  ARG  59          HH22      ARG  59  20.884   6.149  -1.879
  487   2HH2  ARG  59          HH21      ARG  59  20.618   7.659  -1.056
  488    H    ASN  60           HN       ASN  60  15.007   2.956   3.574
  489    HA   ASN  60           HA       ASN  60  13.670   5.193   4.890
  490   1HB   ASN  60           HB2      ASN  60  13.027   3.608   6.631
  491   2HB   ASN  60           HB3      ASN  60  12.607   2.991   5.044
  492   1HD2  ASN  60          HD22      ASN  60  13.898   0.095   6.732
  493   2HD2  ASN  60          HD21      ASN  60  12.494   1.103   6.698
  494    H    ALA  61           HN       ALA  61  14.560   4.082   7.585
  495    HA   ALA  61           HA       ALA  61  16.695   5.940   7.983
  496   1HB   ALA  61           HB1      ALA  61  14.948   5.420   9.676
  497   2HB   ALA  61           HB2      ALA  61  15.715   3.849   9.920
  498   3HB   ALA  61           HB3      ALA  61  16.596   5.330  10.293
  499    H    LYS  62           HN       LYS  62  16.557   2.439   7.569
  500    HA   LYS  62           HA       LYS  62  19.489   2.340   7.867
  501   1HB   LYS  62           HB2      LYS  62  17.484   0.136   8.370
  502   2HB   LYS  62           HB3      LYS  62  19.234  -0.049   8.444
  503   1HG   LYS  62           HG2      LYS  62  19.112   1.879  10.177
  504   2HG   LYS  62           HG3      LYS  62  17.405   1.453  10.287
  505   1HD   LYS  62           HD2      LYS  62  19.707  -0.459  10.722
  506   2HD   LYS  62           HD3      LYS  62  18.807   0.346  12.005
  507   1HE   LYS  62           HE2      LYS  62  17.851  -1.753  10.083
  508   2HE   LYS  62           HE3      LYS  62  17.890  -1.815  11.838
  509   1HZ   LYS  62           HZ3      LYS  62  16.115  -0.059  10.209
  510   2HZ   LYS  62           HZ2      LYS  62  15.642  -1.481  11.014
  511   3HZ   LYS  62           HZ1      LYS  62  16.151  -0.125  11.910
  512    H    MET  63           HN       MET  63  18.800   3.195   5.539
  513    HA   MET  63           HA       MET  63  18.750   2.912   3.295
  514   1HB   MET  63           HB2      MET  63  20.664   1.509   2.473
  515   2HB   MET  63           HB3      MET  63  21.075   2.742   3.657
  516   1HG   MET  63           HG2      MET  63  21.329   1.109   5.373
  517   2HG   MET  63           HG3      MET  63  20.644  -0.157   4.356
  518   1HE   MET  63           HE3      MET  63  21.440  -0.815   2.259
  519   2HE   MET  63           HE1      MET  63  22.957  -0.359   1.482
  520   3HE   MET  63           HE2      MET  63  22.908  -1.738   2.582
  521    H    GLU  64           HN       GLU  64  16.708   1.100   4.436
  522    HA   GLU  64           HA       GLU  64  16.888  -1.204   2.655
  523   1HB   GLU  64           HB2      GLU  64  14.770  -0.385   4.656
  524   2HB   GLU  64           HB3      GLU  64  14.668  -1.824   3.660
  525   1HG   GLU  64           HG2      GLU  64  17.158  -1.557   5.199
  526   2HG   GLU  64           HG3      GLU  64  15.699  -1.730   6.164
  527    H    MET  65           HN       MET  65  16.067  -1.211   0.661
  528    HA   MET  65           HA       MET  65  14.668   1.074  -0.395
  529   1HB   MET  65           HB2      MET  65  15.388  -1.601  -1.623
  530   2HB   MET  65           HB3      MET  65  14.626  -0.288  -2.508
  531   1HG   MET  65           HG2      MET  65  16.784   0.978  -1.416
  532   2HG   MET  65           HG3      MET  65  17.420  -0.643  -1.686
  533   1HE   MET  65           HE2      MET  65  15.182   1.964  -3.067
  534   2HE   MET  65           HE3      MET  65  15.947   2.464  -4.576
  535   3HE   MET  65           HE1      MET  65  14.781   1.141  -4.576
  536    H    VAL  66           HN       VAL  66  12.763   1.057   0.925
  537    HA   VAL  66           HA       VAL  66  10.882  -1.148   0.433
  538    HB   VAL  66           HB       VAL  66   9.588  -0.236   2.361
  539   1HG1  VAL  66          HG13      VAL  66  11.506  -1.991   2.465
  540   2HG1  VAL  66          HG11      VAL  66  12.403  -0.711   3.280
  541   3HG1  VAL  66          HG12      VAL  66  10.889  -1.297   3.963
  542   1HG2  VAL  66          HG21      VAL  66  11.950   1.643   2.577
  543   2HG2  VAL  66          HG22      VAL  66  10.255   2.077   2.356
  544   3HG2  VAL  66          HG23      VAL  66  10.796   1.360   3.872
  545    H    TYR  67           HN       TYR  67   8.577  -0.526   0.319
  546    HA   TYR  67           HA       TYR  67   8.142   1.426  -1.767
  547   1HB   TYR  67           HB2      TYR  67   6.535  -0.697  -0.405
  548   2HB   TYR  67           HB3      TYR  67   5.639   0.652  -1.082
  549    HD1  TYR  67           HD1      TYR  67   7.024   1.241  -3.575
  550    HD2  TYR  67           HD2      TYR  67   6.132  -2.510  -1.773
  551    HE1  TYR  67           HE1      TYR  67   7.038   0.182  -5.790
  552    HE2  TYR  67           HE2      TYR  67   6.128  -3.583  -3.981
  553    HH   TYR  67           HH       TYR  67   6.973  -3.259  -6.176
  554    H    CYS  68           HN       CYS  68   7.220   3.406  -1.533
  555    HA   CYS  68           HA       CYS  68   5.935   4.135   0.981
  556   1HB   CYS  68           HB2      CYS  68   8.422   4.810   1.025
  557   2HB   CYS  68           HB3      CYS  68   8.005   6.002  -0.196
  558    HG   CYS  68           HG       CYS  68   6.720   6.054   2.641
  559    H    LEU  69           HN       LEU  69   5.086   6.479   0.732
  560    HA   LEU  69           HA       LEU  69   3.830   6.639  -1.932
  561   1HB   LEU  69           HB2      LEU  69   2.514   6.011   0.260
  562   2HB   LEU  69           HB3      LEU  69   2.523   7.746   0.504
  563    HG   LEU  69           HG       LEU  69   1.383   8.055  -1.656
  564   1HD1  LEU  69          HD13      LEU  69   2.067   5.244  -1.959
  565   2HD1  LEU  69          HD11      LEU  69   0.361   5.557  -2.268
  566   3HD1  LEU  69          HD12      LEU  69   1.595   6.429  -3.173
  567   1HD2  LEU  69          HD21      LEU  69   0.257   7.552   0.622
  568   2HD2  LEU  69          HD22      LEU  69  -0.715   7.549  -0.848
  569   3HD2  LEU  69          HD23      LEU  69  -0.183   6.025  -0.135
  570    HA   PRO  70           HA       PRO  70   5.427  10.897  -2.007
  571   1HB   PRO  70           HB2      PRO  70   4.031  11.258  -4.498
  572   2HB   PRO  70           HB3      PRO  70   5.759  11.098  -4.229
  573   1HG   PRO  70           HG2      PRO  70   4.246   9.241  -5.536
  574   2HG   PRO  70           HG3      PRO  70   5.748   8.867  -4.677
  575   1HD   PRO  70           HD2      PRO  70   2.920   8.505  -3.771
  576   2HD   PRO  70           HD3      PRO  70   4.314   7.417  -3.603
  577    H    ALA  71           HN       ALA  71   3.777  12.805  -3.372
  578    HA   ALA  71           HA       ALA  71   1.940  13.559  -1.355
  579   1HB   ALA  71           HB1      ALA  71   2.995  15.120  -2.987
  580   2HB   ALA  71           HB2      ALA  71   1.916  14.487  -4.228
  581   3HB   ALA  71           HB3      ALA  71   1.253  15.328  -2.825
  582    H    GLU  72           HN       GLU  72  -0.384  13.649  -1.435
  583    HA   GLU  72           HA       GLU  72  -1.661  11.262  -2.142
  584   1HB   GLU  72           HB2      GLU  72  -3.729  13.120  -1.983
  585   2HB   GLU  72           HB3      GLU  72  -3.068  12.184  -0.654
  586   1HG   GLU  72           HG2      GLU  72  -1.883  14.831  -1.427
  587   2HG   GLU  72           HG3      GLU  72  -3.299  14.732  -0.390
  588    H    LEU  73           HN       LEU  73  -1.825  10.540  -4.167
  589    HA   LEU  73           HA       LEU  73  -2.184  12.411  -6.368
  590   1HB   LEU  73           HB2      LEU  73  -0.417  10.512  -6.196
  591   2HB   LEU  73           HB3      LEU  73  -1.729   9.460  -6.688
  592    HG   LEU  73           HG       LEU  73  -2.014  10.841  -8.744
  593   1HD1  LEU  73          HD12      LEU  73   0.060  12.450  -7.398
  594   2HD1  LEU  73          HD13      LEU  73   0.293  12.186  -9.125
  595   3HD1  LEU  73          HD11      LEU  73  -1.193  12.932  -8.540
  596   1HD2  LEU  73          HD23      LEU  73  -0.655   8.782  -8.725
  597   2HD2  LEU  73          HD21      LEU  73  -0.096   9.968  -9.903
  598   3HD2  LEU  73          HD22      LEU  73   0.775   9.758  -8.386
  599    H    GLY  74           HN       GLY  74  -4.342  12.921  -6.262
  600   1HA   GLY  74           HA1      GLY  74  -6.325  10.786  -6.790
  601   2HA   GLY  74           HA2      GLY  74  -6.701  12.454  -6.361
  602    H    VAL  75           HN       VAL  75  -5.019  13.820  -7.951
  603    HA   VAL  75           HA       VAL  75  -5.200  12.991 -10.723
  604    HB   VAL  75           HB       VAL  75  -6.019  15.433 -11.270
  605   1HG1  VAL  75          HG22      VAL  75  -7.171  13.296 -11.838
  606   2HG1  VAL  75          HG23      VAL  75  -8.044  13.416 -10.310
  607   3HG1  VAL  75          HG21      VAL  75  -8.259  14.652 -11.549
  608   1HG2  VAL  75          HG11      VAL  75  -6.050  16.029  -8.790
  609   2HG2  VAL  75          HG12      VAL  75  -7.466  16.472  -9.739
  610   3HG2  VAL  75          HG13      VAL  75  -7.517  15.058  -8.688
  611    HA   PRO  76           HA       PRO  76  -1.129  14.728 -11.060
  612   1HB   PRO  76           HB2      PRO  76  -2.283  16.539 -13.167
  613   2HB   PRO  76           HB3      PRO  76  -0.775  15.613 -13.186
  614   1HG   PRO  76           HG2      PRO  76  -2.892  14.689 -14.472
  615   2HG   PRO  76           HG3      PRO  76  -1.892  13.579 -13.517
  616   1HD   PRO  76           HD2      PRO  76  -4.587  14.707 -12.904
  617   2HD   PRO  76           HD3      PRO  76  -3.909  13.118 -12.500
  618    H    THR  77           HN       THR  77  -0.854  15.786  -9.134
  619    HA   THR  77           HA       THR  77  -1.715  18.598  -8.924
  620    HB   THR  77           HB       THR  77  -2.589  17.111  -7.183
  621    HG1  THR  77           HG1      THR  77  -1.218  18.186  -5.350
  622   1HG2  THR  77          HG22      THR  77   0.263  16.489  -6.411
  623   2HG2  THR  77          HG21      THR  77  -1.186  16.038  -5.509
  624   3HG2  THR  77          HG23      THR  77  -0.896  15.355  -7.109
  625    H    THR  78           HN       THR  78  -0.288  20.176  -8.278
  626    HA   THR  78           HA       THR  78   2.571  19.521  -8.094
  627    HB   THR  78           HB       THR  78   2.875  21.735  -9.493
  628    HG1  THR  78           HG1      THR  78   0.297  21.600  -9.576
  629   1HG2  THR  78          HG21      THR  78   2.097  19.147 -10.812
  630   2HG2  THR  78          HG23      THR  78   2.886  20.504 -11.616
  631   3HG2  THR  78          HG22      THR  78   3.714  19.646 -10.319
   
  No H/Q in entry =         631
  Start of MODEL    9
    1   1H    MET   1           HT3      MET   1 -21.940  10.926  -2.457
    2   2H    MET   1           HT2      MET   1 -21.174  12.245  -1.661
    3   3H    MET   1           HT1      MET   1 -20.878  11.957  -3.332
    4    HA   MET   1           HA       MET   1 -19.326  10.519  -2.942
    5   1HB   MET   1           HB2      MET   1 -19.754  11.845  -0.285
    6   2HB   MET   1           HB3      MET   1 -18.556  10.566  -0.406
    7   1HG   MET   1           HG2      MET   1 -18.545  12.914  -2.275
    8   2HG   MET   1           HG3      MET   1 -17.765  12.967  -0.695
    9   1HE   MET   1           HE2      MET   1 -17.845  11.838  -4.206
   10   2HE   MET   1           HE3      MET   1 -16.400  12.843  -4.145
   11   3HE   MET   1           HE1      MET   1 -16.263  11.125  -4.507
   12    H    ARG   2           HN       ARG   2 -22.043  10.020  -0.755
   13    HA   ARG   2           HA       ARG   2 -23.128   8.165  -0.040
   14   1HB   ARG   2           HB2      ARG   2 -21.271   6.536  -1.794
   15   2HB   ARG   2           HB3      ARG   2 -22.763   5.985  -1.056
   16   1HG   ARG   2           HG2      ARG   2 -23.306   8.314  -2.623
   17   2HG   ARG   2           HG3      ARG   2 -22.404   7.153  -3.594
   18   1HD   ARG   2           HD2      ARG   2 -24.107   5.423  -2.668
   19   2HD   ARG   2           HD3      ARG   2 -25.066   6.836  -2.239
   20    HE   ARG   2           HE       ARG   2 -25.611   7.118  -4.437
   21   1HH1  ARG   2          HH12      ARG   2 -22.894   4.913  -4.226
   22   2HH1  ARG   2          HH11      ARG   2 -22.929   4.504  -5.918
   23   1HH2  ARG   2          HH22      ARG   2 -25.664   6.585  -6.647
   24   2HH2  ARG   2          HH21      ARG   2 -24.509   5.453  -7.298
   25    H    SER   3           HN       SER   3 -22.737   7.954   2.082
   26    HA   SER   3           HA       SER   3 -20.125   7.275   3.114
   27   1HB   SER   3           HB2      SER   3 -22.797   7.522   4.529
   28   2HB   SER   3           HB3      SER   3 -21.231   7.350   5.328
   29    HG   SER   3           HG       SER   3 -20.892   9.405   5.047
   30    H    SER   4           HN       SER   4 -19.365   5.320   3.652
   31    HA   SER   4           HA       SER   4 -19.193   3.087   4.013
   32   1HB   SER   4           HB2      SER   4 -22.216   2.980   4.234
   33   2HB   SER   4           HB3      SER   4 -21.078   1.734   4.731
   34    HG   SER   4           HG       SER   4 -20.397   2.953   6.398
   35    H    ALA   5           HN       ALA   5 -19.001   3.985   1.476
   36    HA   ALA   5           HA       ALA   5 -20.641   2.493  -0.362
   37   1HB   ALA   5           HB2      ALA   5 -18.099   4.050  -0.830
   38   2HB   ALA   5           HB3      ALA   5 -19.121   3.367  -2.095
   39   3HB   ALA   5           HB1      ALA   5 -19.747   4.636  -1.043
   40    H    LYS   6           HN       LYS   6 -18.561   1.327   1.727
   41    HA   LYS   6           HA       LYS   6 -17.378  -0.505   2.062
   42   1HB   LYS   6           HB2      LYS   6 -19.019  -1.213  -0.325
   43   2HB   LYS   6           HB3      LYS   6 -17.896  -2.373   0.351
   44   1HG   LYS   6           HG2      LYS   6 -19.973  -0.999   2.014
   45   2HG   LYS   6           HG3      LYS   6 -20.297  -2.493   1.138
   46   1HD   LYS   6           HD2      LYS   6 -19.230  -3.737   2.667
   47   2HD   LYS   6           HD3      LYS   6 -17.839  -2.652   2.680
   48   1HE   LYS   6           HE2      LYS   6 -18.827  -2.719   4.895
   49   2HE   LYS   6           HE3      LYS   6 -19.064  -1.120   4.190
   50   1HZ   LYS   6           HZ1      LYS   6 -21.335  -1.841   3.555
   51   2HZ   LYS   6           HZ3      LYS   6 -21.073  -3.302   4.394
   52   3HZ   LYS   6           HZ2      LYS   6 -21.083  -1.822   5.239
   53    H    GLN   7           HN       GLN   7 -15.469  -1.442   1.760
   54    HA   GLN   7           HA       GLN   7 -13.419  -1.889   1.042
   55   1HB   GLN   7           HB2      GLN   7 -14.878  -2.543  -1.052
   56   2HB   GLN   7           HB3      GLN   7 -14.011  -1.203  -1.797
   57   1HG   GLN   7           HG2      GLN   7 -12.499  -2.797  -2.271
   58   2HG   GLN   7           HG3      GLN   7 -11.958  -2.435  -0.630
   59   1HE2  GLN   7          HE22      GLN   7 -12.938  -5.519   0.723
   60   2HE2  GLN   7          HE21      GLN   7 -12.477  -3.885   1.046
   61    H    GLU   8           HN       GLU   8 -14.383   1.101   1.338
   62    HA   GLU   8           HA       GLU   8 -12.225   2.501  -0.038
   63   1HB   GLU   8           HB2      GLU   8 -13.959   3.614   2.175
   64   2HB   GLU   8           HB3      GLU   8 -13.086   4.494   0.927
   65   1HG   GLU   8           HG2      GLU   8 -14.665   3.176  -0.691
   66   2HG   GLU   8           HG3      GLU   8 -15.668   3.003   0.747
   67    H    GLU   9           HN       GLU   9 -12.452   0.554   2.616
   68    HA   GLU   9           HA       GLU   9 -10.690   1.986   4.428
   69   1HB   GLU   9           HB2      GLU   9 -11.538  -0.888   4.761
   70   2HB   GLU   9           HB3      GLU   9 -11.120   0.286   5.994
   71   1HG   GLU   9           HG2      GLU   9 -13.407   0.154   6.219
   72   2HG   GLU   9           HG3      GLU   9 -13.224   1.556   5.167
   73    H    LEU  10           HN       LEU  10 -10.573  -0.647   2.126
   74    HA   LEU  10           HA       LEU  10  -7.952  -1.574   2.659
   75   1HB   LEU  10           HB2      LEU  10  -9.143  -3.009   1.310
   76   2HB   LEU  10           HB3      LEU  10  -9.835  -1.725   0.343
   77    HG   LEU  10           HG       LEU  10  -7.591  -1.447  -0.751
   78   1HD1  LEU  10          HD13      LEU  10  -6.383  -2.592   1.195
   79   2HD1  LEU  10          HD11      LEU  10  -6.890  -4.109   0.451
   80   3HD1  LEU  10          HD12      LEU  10  -5.858  -2.987  -0.441
   81   1HD2  LEU  10          HD22      LEU  10  -9.466  -2.790  -1.707
   82   2HD2  LEU  10          HD23      LEU  10  -7.860  -3.276  -2.250
   83   3HD2  LEU  10          HD21      LEU  10  -8.705  -4.228  -1.027
   84    H    VAL  11           HN       VAL  11  -9.261   1.184   0.980
   85    HA   VAL  11           HA       VAL  11  -6.810   1.954  -0.321
   86    HB   VAL  11           HB       VAL  11  -9.236   3.649   0.344
   87   1HG1  VAL  11          HG12      VAL  11  -6.646   4.288  -0.977
   88   2HG1  VAL  11          HG13      VAL  11  -8.116   4.943  -1.709
   89   3HG1  VAL  11          HG11      VAL  11  -7.729   5.316  -0.030
   90   1HG2  VAL  11          HG23      VAL  11  -8.476   1.952  -1.994
   91   2HG2  VAL  11          HG21      VAL  11 -10.038   2.137  -1.200
   92   3HG2  VAL  11          HG22      VAL  11  -9.432   3.409  -2.259
   93    H    LYS  12           HN       LYS  12  -8.494   3.405   2.576
   94    HA   LYS  12           HA       LYS  12  -6.394   5.089   3.321
   95   1HB   LYS  12           HB2      LYS  12  -8.497   3.736   4.989
   96   2HB   LYS  12           HB3      LYS  12  -7.255   4.730   5.736
   97   1HG   LYS  12           HG2      LYS  12  -8.781   6.361   5.450
   98   2HG   LYS  12           HG3      LYS  12  -8.066   6.438   3.837
   99   1HD   LYS  12           HD2      LYS  12 -10.034   4.409   3.829
  100   2HD   LYS  12           HD3      LYS  12 -10.755   5.827   4.583
  101   1HE   LYS  12           HE2      LYS  12  -9.371   5.781   1.893
  102   2HE   LYS  12           HE3      LYS  12 -11.116   5.759   2.147
  103   1HZ   LYS  12           HZ1      LYS  12  -9.559   7.935   3.368
  104   2HZ   LYS  12           HZ3      LYS  12  -9.855   7.983   1.688
  105   3HZ   LYS  12           HZ2      LYS  12 -11.159   7.930   2.778
  106    H    ALA  13           HN       ALA  13  -6.879   1.690   4.171
  107    HA   ALA  13           HA       ALA  13  -4.653   1.386   5.881
  108   1HB   ALA  13           HB2      ALA  13  -6.063  -0.658   4.159
  109   2HB   ALA  13           HB3      ALA  13  -4.864  -1.039   5.398
  110   3HB   ALA  13           HB1      ALA  13  -6.389  -0.281   5.853
  111    H    PHE  14           HN       PHE  14  -4.981   0.861   2.368
  112    HA   PHE  14           HA       PHE  14  -2.416  -0.098   1.838
  113   1HB   PHE  14           HB2      PHE  14  -4.410  -0.005   0.250
  114   2HB   PHE  14           HB3      PHE  14  -3.971   1.660  -0.074
  115    HD1  PHE  14           HD2      PHE  14  -2.972  -1.856  -0.417
  116    HD2  PHE  14           HD1      PHE  14  -2.042   2.176  -1.420
  117    HE1  PHE  14           HE2      PHE  14  -1.380  -2.646  -2.103
  118    HE2  PHE  14           HE1      PHE  14  -0.444   1.381  -3.119
  119    HZ   PHE  14           HZ       PHE  14  -0.115  -1.027  -3.443
  120    H    LYS  15           HN       LYS  15  -3.563   3.288   1.541
  121    HA   LYS  15           HA       LYS  15  -1.143   4.472   0.876
  122   1HB   LYS  15           HB2      LYS  15  -3.167   5.825   2.685
  123   2HB   LYS  15           HB3      LYS  15  -2.120   6.568   1.484
  124   1HG   LYS  15           HG2      LYS  15  -4.313   4.666   0.728
  125   2HG   LYS  15           HG3      LYS  15  -4.606   6.378   0.960
  126   1HD   LYS  15           HD2      LYS  15  -2.394   6.273  -0.726
  127   2HD   LYS  15           HD3      LYS  15  -3.414   4.944  -1.272
  128   1HE   LYS  15           HE2      LYS  15  -3.842   7.105  -2.455
  129   2HE   LYS  15           HE3      LYS  15  -5.261   6.412  -1.666
  130   1HZ   LYS  15           HZ3      LYS  15  -3.841   8.213   0.056
  131   2HZ   LYS  15           HZ2      LYS  15  -4.345   8.965  -1.388
  132   3HZ   LYS  15           HZ1      LYS  15  -5.484   8.196  -0.387
  133    H    ALA  16           HN       ALA  16  -2.472   3.835   4.100
  134    HA   ALA  16           HA       ALA  16  -0.506   5.108   5.635
  135   1HB   ALA  16           HB2      ALA  16  -2.691   4.417   6.523
  136   2HB   ALA  16           HB3      ALA  16  -2.195   2.730   6.418
  137   3HB   ALA  16           HB1      ALA  16  -1.362   3.828   7.519
  138    H    LEU  17           HN       LEU  17  -0.770   1.635   4.761
  139    HA   LEU  17           HA       LEU  17   1.507   0.691   6.044
  140   1HB   LEU  17           HB2      LEU  17   0.312  -0.196   3.415
  141   2HB   LEU  17           HB3      LEU  17   1.551  -1.091   4.266
  142    HG   LEU  17           HG       LEU  17  -1.241  -0.559   5.262
  143   1HD1  LEU  17          HD13      LEU  17   0.110  -3.028   4.218
  144   2HD1  LEU  17          HD11      LEU  17  -1.447  -3.025   5.046
  145   3HD1  LEU  17          HD12      LEU  17  -1.265  -2.176   3.513
  146   1HD2  LEU  17          HD21      LEU  17   0.374  -0.643   7.118
  147   2HD2  LEU  17          HD22      LEU  17  -0.732  -2.013   7.117
  148   3HD2  LEU  17          HD23      LEU  17   0.919  -2.217   6.541
  149    H    LEU  18           HN       LEU  18   1.249   2.133   2.814
  150    HA   LEU  18           HA       LEU  18   3.995   1.751   2.109
  151   1HB   LEU  18           HB2      LEU  18   2.063   3.821   1.057
  152   2HB   LEU  18           HB3      LEU  18   3.562   3.315   0.297
  153    HG   LEU  18           HG       LEU  18   1.317   1.357   0.783
  154   1HD1  LEU  18          HD13      LEU  18   1.322   3.637  -0.982
  155   2HD1  LEU  18          HD11      LEU  18   1.246   2.125  -1.890
  156   3HD1  LEU  18          HD12      LEU  18   0.049   2.471  -0.644
  157   1HD2  LEU  18          HD23      LEU  18   3.583   1.447  -1.202
  158   2HD2  LEU  18          HD21      LEU  18   3.495   0.413   0.230
  159   3HD2  LEU  18          HD22      LEU  18   2.353   0.190  -1.099
  160    H    LYS  19           HN       LYS  19   2.216   4.633   3.207
  161    HA   LYS  19           HA       LYS  19   4.344   6.420   3.199
  162   1HB   LYS  19           HB2      LYS  19   1.745   6.385   4.720
  163   2HB   LYS  19           HB3      LYS  19   2.872   7.730   4.836
  164   1HG   LYS  19           HG2      LYS  19   2.736   8.049   2.397
  165   2HG   LYS  19           HG3      LYS  19   1.581   6.711   2.303
  166   1HD   LYS  19           HD2      LYS  19   0.015   8.319   2.502
  167   2HD   LYS  19           HD3      LYS  19   0.430   8.292   4.215
  168   1HE   LYS  19           HE2      LYS  19   1.590  10.140   2.131
  169   2HE   LYS  19           HE3      LYS  19   0.402  10.572   3.359
  170   1HZ   LYS  19           HZ1      LYS  19   3.182   9.655   3.899
  171   2HZ   LYS  19           HZ3      LYS  19   2.627  11.259   3.997
  172   3HZ   LYS  19           HZ2      LYS  19   2.028  10.086   5.075
  173    H    GLU  20           HN       GLU  20   3.590   4.020   5.613
  174    HA   GLU  20           HA       GLU  20   5.140   5.209   7.727
  175   1HB   GLU  20           HB2      GLU  20   4.081   2.397   7.346
  176   2HB   GLU  20           HB3      GLU  20   4.951   2.924   8.782
  177   1HG   GLU  20           HG2      GLU  20   2.436   4.255   7.814
  178   2HG   GLU  20           HG3      GLU  20   2.427   2.896   8.932
  179    H    GLU  21           HN       GLU  21   5.981   3.552   4.868
  180    HA   GLU  21           HA       GLU  21   7.911   2.762   3.988
  181   1HB   GLU  21           HB2      GLU  21   9.209   4.296   6.257
  182   2HB   GLU  21           HB3      GLU  21  10.036   3.689   4.828
  183   1HG   GLU  21           HG2      GLU  21   8.925   5.196   3.402
  184   2HG   GLU  21           HG3      GLU  21   7.720   5.592   4.621
  185    H    LYS  22           HN       LYS  22   7.259   0.610   4.525
  186    HA   LYS  22           HA       LYS  22   9.047  -0.713   6.445
  187   1HB   LYS  22           HB2      LYS  22   7.151  -0.554   7.805
  188   2HB   LYS  22           HB3      LYS  22   6.041  -0.741   6.460
  189   1HG   LYS  22           HG2      LYS  22   6.392  -3.078   6.365
  190   2HG   LYS  22           HG3      LYS  22   7.775  -2.989   7.457
  191   1HD   LYS  22           HD2      LYS  22   6.200  -2.148   9.228
  192   2HD   LYS  22           HD3      LYS  22   4.872  -2.490   8.115
  193   1HE   LYS  22           HE2      LYS  22   5.141  -4.326   9.670
  194   2HE   LYS  22           HE3      LYS  22   5.553  -4.846   8.037
  195   1HZ   LYS  22           HZ3      LYS  22   7.841  -3.856   9.423
  196   2HZ   LYS  22           HZ2      LYS  22   7.098  -5.115  10.287
  197   3HZ   LYS  22           HZ1      LYS  22   7.600  -5.370   8.681
  198    H    PHE  23           HN       PHE  23   6.533  -1.278   3.986
  199    HA   PHE  23           HA       PHE  23   7.514  -3.913   3.380
  200   1HB   PHE  23           HB2      PHE  23   5.416  -2.241   1.968
  201   2HB   PHE  23           HB3      PHE  23   5.670  -3.985   1.792
  202    HD1  PHE  23           HD2      PHE  23   5.214  -5.498   3.698
  203    HD2  PHE  23           HD1      PHE  23   4.265  -1.356   3.887
  204    HE1  PHE  23           HE2      PHE  23   3.778  -5.919   5.655
  205    HE2  PHE  23           HE1      PHE  23   2.846  -1.766   5.841
  206    HZ   PHE  23           HZ       PHE  23   2.584  -4.051   6.726
  207    H    SER  24           HN       SER  24   8.663  -4.613   1.682
  208    HA   SER  24           HA       SER  24   9.682  -2.619  -0.252
  209   1HB   SER  24           HB2      SER  24  11.606  -4.306  -0.509
  210   2HB   SER  24           HB3      SER  24  11.543  -3.393   0.996
  211    HG   SER  24           HG       SER  24  10.806  -5.164   2.072
  212    H    SER  25           HN       SER  25   7.911  -5.523   0.106
  213    HA   SER  25           HA       SER  25   7.827  -5.878  -2.823
  214   1HB   SER  25           HB2      SER  25   7.359  -8.386  -2.137
  215   2HB   SER  25           HB3      SER  25   9.012  -7.783  -2.244
  216    HG   SER  25           HG       SER  25   8.223  -9.013  -0.250
  217    H    GLN  26           HN       GLN  26   5.866  -6.621  -3.691
  218    HA   GLN  26           HA       GLN  26   3.494  -5.514  -2.656
  219   1HB   GLN  26           HB2      GLN  26   3.465  -7.849  -4.543
  220   2HB   GLN  26           HB3      GLN  26   2.432  -6.452  -4.495
  221   1HG   GLN  26           HG2      GLN  26   4.383  -5.067  -5.222
  222   2HG   GLN  26           HG3      GLN  26   5.265  -6.575  -5.469
  223   1HE2  GLN  26          HE22      GLN  26   3.502  -5.324  -8.596
  224   2HE2  GLN  26          HE21      GLN  26   4.426  -4.496  -7.394
  225    H    GLY  27           HN       GLY  27   4.357  -8.950  -2.947
  226   1HA   GLY  27           HA1      GLY  27   2.320 -10.239  -1.747
  227   2HA   GLY  27           HA2      GLY  27   3.973 -10.770  -1.569
  228    H    GLU  28           HN       GLU  28   4.780  -8.464   0.121
  229    HA   GLU  28           HA       GLU  28   3.902  -9.549   2.633
  230   1HB   GLU  28           HB2      GLU  28   5.815  -7.359   1.882
  231   2HB   GLU  28           HB3      GLU  28   5.321  -7.595   3.555
  232   1HG   GLU  28           HG2      GLU  28   6.063  -9.967   3.374
  233   2HG   GLU  28           HG3      GLU  28   6.718  -9.585   1.785
  234    H    ILE  29           HN       ILE  29   3.222  -6.520   0.857
  235    HA   ILE  29           HA       ILE  29   1.608  -5.446   2.990
  236    HB   ILE  29           HB       ILE  29   2.254  -3.652   1.820
  237   1HG1  ILE  29          HG12      ILE  29  -0.155  -4.262   0.114
  238   2HG1  ILE  29          HG13      ILE  29  -0.229  -3.623   1.759
  239   1HG2  ILE  29          HG21      ILE  29   3.485  -4.909   0.097
  240   2HG2  ILE  29          HG22      ILE  29   1.991  -5.026  -0.830
  241   3HG2  ILE  29          HG23      ILE  29   2.716  -3.455  -0.521
  242   1HD1  ILE  29          HD12      ILE  29   1.366  -1.785   0.733
  243   2HD1  ILE  29          HD13      ILE  29   0.598  -2.299  -0.769
  244   3HD1  ILE  29          HD11      ILE  29  -0.384  -1.690   0.564
  245    H    VAL  30           HN       VAL  30   1.138  -7.623   0.333
  246    HA   VAL  30           HA       VAL  30  -1.701  -7.633   0.161
  247    HB   VAL  30           HB       VAL  30   0.220  -9.947  -0.291
  248   1HG1  VAL  30          HG11      VAL  30  -2.616  -9.581  -1.223
  249   2HG1  VAL  30          HG12      VAL  30  -1.549 -10.899  -1.691
  250   3HG1  VAL  30          HG13      VAL  30  -2.060 -10.733  -0.015
  251   1HG2  VAL  30          HG22      VAL  30   0.351  -7.717  -1.719
  252   2HG2  VAL  30          HG23      VAL  30   0.564  -9.303  -2.439
  253   3HG2  VAL  30          HG21      VAL  30  -0.985  -8.485  -2.563
  254    H    ALA  31           HN       ALA  31   0.604  -9.640   1.988
  255    HA   ALA  31           HA       ALA  31  -1.297 -11.093   3.491
  256   1HB   ALA  31           HB1      ALA  31   1.637 -10.559   3.918
  257   2HB   ALA  31           HB2      ALA  31   0.685 -11.592   4.979
  258   3HB   ALA  31           HB3      ALA  31   0.871 -12.014   3.280
  259    H    ALA  32           HN       ALA  32   0.404  -8.052   4.126
  260    HA   ALA  32           HA       ALA  32  -0.233  -7.710   6.826
  261   1HB   ALA  32           HB3      ALA  32   1.395  -6.330   5.594
  262   2HB   ALA  32           HB1      ALA  32   0.065  -5.539   4.748
  263   3HB   ALA  32           HB2      ALA  32   0.233  -5.355   6.491
  264    H    LEU  33           HN       LEU  33  -2.074  -6.725   3.927
  265    HA   LEU  33           HA       LEU  33  -4.205  -5.530   5.417
  266   1HB   LEU  33           HB2      LEU  33  -4.149  -6.409   2.526
  267   2HB   LEU  33           HB3      LEU  33  -5.398  -5.414   3.266
  268    HG   LEU  33           HG       LEU  33  -2.546  -4.490   3.353
  269   1HD1  LEU  33          HD13      LEU  33  -2.980  -5.102   1.009
  270   2HD1  LEU  33          HD11      LEU  33  -4.384  -4.035   1.014
  271   3HD1  LEU  33          HD12      LEU  33  -2.768  -3.370   1.246
  272   1HD2  LEU  33          HD23      LEU  33  -5.236  -3.133   3.318
  273   2HD2  LEU  33          HD21      LEU  33  -4.097  -3.235   4.659
  274   3HD2  LEU  33          HD22      LEU  33  -3.696  -2.278   3.235
  275    H    GLN  34           HN       GLN  34  -3.580  -8.764   4.145
  276    HA   GLN  34           HA       GLN  34  -6.177  -9.834   4.450
  277   1HB   GLN  34           HB2      GLN  34  -3.436 -11.100   4.541
  278   2HB   GLN  34           HB3      GLN  34  -4.894 -12.050   4.777
  279   1HG   GLN  34           HG2      GLN  34  -5.663 -11.604   2.587
  280   2HG   GLN  34           HG3      GLN  34  -4.457 -10.349   2.339
  281   1HE2  GLN  34          HE22      GLN  34  -3.188 -13.178   0.479
  282   2HE2  GLN  34          HE21      GLN  34  -4.445 -11.997   0.386
  283    H    GLU  35           HN       GLU  35  -3.485  -9.485   6.730
  284    HA   GLU  35           HA       GLU  35  -4.812 -10.748   8.934
  285   1HB   GLU  35           HB2      GLU  35  -2.423  -8.893   8.831
  286   2HB   GLU  35           HB3      GLU  35  -2.986  -9.702  10.289
  287   1HG   GLU  35           HG2      GLU  35  -2.710 -11.874   8.899
  288   2HG   GLU  35           HG3      GLU  35  -1.708 -10.874   7.851
  289    H    GLN  36           HN       GLN  36  -4.660  -7.463   7.693
  290    HA   GLN  36           HA       GLN  36  -5.613  -6.083   9.974
  291   1HB   GLN  36           HB2      GLN  36  -5.626  -5.454   7.030
  292   2HB   GLN  36           HB3      GLN  36  -6.363  -4.374   8.198
  293   1HG   GLN  36           HG2      GLN  36  -3.608  -5.223   8.810
  294   2HG   GLN  36           HG3      GLN  36  -3.797  -4.209   7.382
  295   1HE2  GLN  36          HE22      GLN  36  -3.726  -1.371   9.343
  296   2HE2  GLN  36          HE21      GLN  36  -3.207  -2.231   7.937
  297    H    GLY  37           HN       GLY  37  -7.368  -7.146   7.037
  298   1HA   GLY  37           HA1      GLY  37  -9.529  -8.355   8.091
  299   2HA   GLY  37           HA2      GLY  37  -9.928  -6.660   8.325
  300    H    PHE  38           HN       PHE  38  -8.172  -7.971   5.538
  301    HA   PHE  38           HA       PHE  38 -10.495  -7.217   3.858
  302   1HB   PHE  38           HB2      PHE  38  -7.552  -6.929   3.224
  303   2HB   PHE  38           HB3      PHE  38  -8.883  -6.510   2.141
  304    HD1  PHE  38           HD2      PHE  38 -10.451  -4.694   2.787
  305    HD2  PHE  38           HD1      PHE  38  -6.902  -5.478   4.979
  306    HE1  PHE  38           HE2      PHE  38 -10.611  -2.490   3.850
  307    HE2  PHE  38           HE1      PHE  38  -7.053  -3.280   6.045
  308    HZ   PHE  38           HZ       PHE  38  -8.899  -1.777   5.478
  309    H    ASP  39           HN       ASP  39 -11.402  -8.796   2.784
  310    HA   ASP  39           HA       ASP  39 -10.007 -11.318   2.380
  311   1HB   ASP  39           HB2      ASP  39 -12.260 -12.224   1.835
  312   2HB   ASP  39           HB3      ASP  39 -12.192 -11.470   3.421
  313    H    ASN  40           HN       ASN  40 -10.979  -8.654   0.585
  314    HA   ASN  40           HA       ASN  40 -10.781 -10.053  -1.980
  315   1HB   ASN  40           HB2      ASN  40 -12.282  -7.684  -1.084
  316   2HB   ASN  40           HB3      ASN  40 -11.461  -7.442  -2.619
  317   1HD2  ASN  40          HD22      ASN  40 -14.791  -9.649  -2.437
  318   2HD2  ASN  40          HD21      ASN  40 -14.149  -8.777  -1.086
  319    H    ILE  41           HN       ILE  41  -8.445 -10.152  -1.094
  320    HA   ILE  41           HA       ILE  41  -6.929  -8.019  -2.425
  321    HB   ILE  41           HB       ILE  41  -6.827  -8.749   0.439
  322   1HG1  ILE  41          HG12      ILE  41  -7.440  -6.500  -0.676
  323   2HG1  ILE  41          HG13      ILE  41  -6.381  -6.456   0.732
  324   1HG2  ILE  41          HG23      ILE  41  -4.262  -8.289  -1.072
  325   2HG2  ILE  41          HG21      ILE  41  -4.435  -8.173   0.677
  326   3HG2  ILE  41          HG22      ILE  41  -4.708  -9.715  -0.128
  327   1HD1  ILE  41          HD11      ILE  41  -5.034  -6.646  -1.875
  328   2HD1  ILE  41          HD12      ILE  41  -5.903  -5.148  -1.563
  329   3HD1  ILE  41          HD13      ILE  41  -4.644  -5.681  -0.453
  330    H    ASN  42           HN       ASN  42  -5.015  -8.618  -3.324
  331    HA   ASN  42           HA       ASN  42  -3.789 -11.169  -3.029
  332   1HB   ASN  42           HB2      ASN  42  -4.184 -11.994  -5.359
  333   2HB   ASN  42           HB3      ASN  42  -5.642 -11.987  -4.379
  334   1HD2  ASN  42          HD22      ASN  42  -7.401 -10.076  -6.682
  335   2HD2  ASN  42          HD21      ASN  42  -7.399 -11.190  -5.357
  336    H    GLN  43           HN       GLN  43  -2.124 -11.410  -5.018
  337    HA   GLN  43           HA       GLN  43  -0.363  -9.260  -4.849
  338   1HB   GLN  43           HB2      GLN  43  -0.044 -11.768  -5.654
  339   2HB   GLN  43           HB3      GLN  43  -0.210 -11.040  -7.247
  340   1HG   GLN  43           HG2      GLN  43   1.616  -9.417  -6.517
  341   2HG   GLN  43           HG3      GLN  43   1.884 -10.500  -5.153
  342   1HE2  GLN  43          HE22      GLN  43   3.552 -12.938  -7.014
  343   2HE2  GLN  43          HE21      GLN  43   2.816 -12.506  -5.511
  344    H    SER  44           HN       SER  44  -2.723  -9.991  -7.405
  345    HA   SER  44           HA       SER  44  -1.939  -7.968  -9.204
  346   1HB   SER  44           HB2      SER  44  -4.798  -8.864  -9.039
  347   2HB   SER  44           HB3      SER  44  -3.789  -8.594 -10.451
  348    HG   SER  44           HG       SER  44  -4.359 -10.884  -9.382
  349    H    LYS  45           HN       LYS  45  -4.352  -8.013  -6.590
  350    HA   LYS  45           HA       LYS  45  -5.446  -5.446  -6.949
  351   1HB   LYS  45           HB2      LYS  45  -5.772  -7.555  -5.140
  352   2HB   LYS  45           HB3      LYS  45  -5.210  -6.235  -4.130
  353   1HG   LYS  45           HG2      LYS  45  -7.496  -5.999  -4.029
  354   2HG   LYS  45           HG3      LYS  45  -7.075  -4.865  -5.310
  355   1HD   LYS  45           HD2      LYS  45  -7.674  -6.514  -6.999
  356   2HD   LYS  45           HD3      LYS  45  -7.992  -7.713  -5.741
  357   1HE   LYS  45           HE2      LYS  45  -9.734  -6.082  -4.842
  358   2HE   LYS  45           HE3      LYS  45  -9.540  -5.204  -6.361
  359   1HZ   LYS  45           HZ3      LYS  45 -10.151  -7.243  -7.549
  360   2HZ   LYS  45           HZ2      LYS  45 -10.417  -8.032  -6.062
  361   3HZ   LYS  45           HZ1      LYS  45 -11.394  -6.707  -6.516
  362    H    VAL  46           HN       VAL  46  -2.634  -6.527  -5.136
  363    HA   VAL  46           HA       VAL  46  -2.005  -4.004  -3.956
  364    HB   VAL  46           HB       VAL  46  -0.598  -6.646  -4.118
  365   1HG1  VAL  46          HG11      VAL  46   1.146  -4.879  -4.132
  366   2HG1  VAL  46          HG12      VAL  46   0.445  -4.228  -2.648
  367   3HG1  VAL  46          HG13      VAL  46   1.141  -5.846  -2.668
  368   1HG2  VAL  46          HG22      VAL  46  -2.185  -5.095  -2.124
  369   2HG2  VAL  46          HG23      VAL  46  -2.221  -6.815  -2.501
  370   3HG2  VAL  46          HG21      VAL  46  -0.913  -6.151  -1.527
  371    H    SER  47           HN       SER  47  -0.857  -5.731  -6.840
  372    HA   SER  47           HA       SER  47   1.137  -3.785  -7.502
  373   1HB   SER  47           HB2      SER  47   1.005  -6.222  -8.315
  374   2HB   SER  47           HB3      SER  47  -0.167  -5.636  -9.495
  375    HG   SER  47           HG       SER  47   1.853  -5.569 -10.436
  376    H    ARG  48           HN       ARG  48  -2.291  -4.216  -8.267
  377    HA   ARG  48           HA       ARG  48  -2.460  -2.176 -10.264
  378   1HB   ARG  48           HB2      ARG  48  -4.459  -3.636  -8.576
  379   2HB   ARG  48           HB3      ARG  48  -4.963  -2.194  -9.444
  380   1HG   ARG  48           HG2      ARG  48  -3.528  -3.824 -11.265
  381   2HG   ARG  48           HG3      ARG  48  -4.681  -4.848 -10.409
  382   1HD   ARG  48           HD2      ARG  48  -6.480  -3.254 -10.971
  383   2HD   ARG  48           HD3      ARG  48  -5.314  -2.286 -11.877
  384    HE   ARG  48           HE       ARG  48  -5.186  -4.881 -12.889
  385   1HH1  ARG  48          HH12      ARG  48  -7.541  -2.280 -12.694
  386   2HH1  ARG  48          HH11      ARG  48  -8.359  -2.757 -14.152
  387   1HH2  ARG  48          HH22      ARG  48  -6.253  -5.490 -14.781
  388   2HH2  ARG  48          HH21      ARG  48  -7.630  -4.583 -15.345
  389    H    MET  49           HN       MET  49  -3.126  -2.227  -6.760
  390    HA   MET  49           HA       MET  49  -3.813   0.482  -6.482
  391   1HB   MET  49           HB2      MET  49  -2.807  -1.584  -4.577
  392   2HB   MET  49           HB3      MET  49  -3.067   0.074  -4.061
  393   1HG   MET  49           HG2      MET  49  -4.942  -1.984  -4.230
  394   2HG   MET  49           HG3      MET  49  -5.211  -0.311  -3.791
  395   1HE   MET  49           HE1      MET  49  -7.410   0.286  -4.528
  396   2HE   MET  49           HE2      MET  49  -8.190  -0.171  -6.045
  397   3HE   MET  49           HE3      MET  49  -7.838  -1.399  -4.831
  398    H    LEU  50           HN       LEU  50  -0.681  -1.129  -6.529
  399    HA   LEU  50           HA       LEU  50   0.908   1.035  -5.613
  400   1HB   LEU  50           HB2      LEU  50   1.419  -1.504  -7.119
  401   2HB   LEU  50           HB3      LEU  50   2.677  -0.275  -7.138
  402    HG   LEU  50           HG       LEU  50   1.494  -1.222  -4.560
  403   1HD1  LEU  50          HD11      LEU  50   3.501  -2.601  -6.278
  404   2HD1  LEU  50          HD12      LEU  50   3.643  -2.697  -4.521
  405   3HD1  LEU  50          HD13      LEU  50   2.187  -3.288  -5.324
  406   1HD2  LEU  50          HD22      LEU  50   3.851   0.352  -5.382
  407   2HD2  LEU  50          HD23      LEU  50   2.773   0.541  -3.996
  408   3HD2  LEU  50          HD21      LEU  50   4.014  -0.709  -3.983
  409    H    THR  51           HN       THR  51   0.112  -0.074  -8.900
  410    HA   THR  51           HA       THR  51   1.441   2.031 -10.262
  411    HB   THR  51           HB       THR  51  -0.927   0.502 -11.361
  412    HG1  THR  51           HG1      THR  51   0.314  -1.110 -10.501
  413   1HG2  THR  51          HG21      THR  51   1.615   1.490 -12.642
  414   2HG2  THR  51          HG23      THR  51   0.390   0.501 -13.439
  415   3HG2  THR  51          HG22      THR  51  -0.012   2.124 -12.887
  416    H    LYS  52           HN       LYS  52  -1.870   1.601  -9.109
  417    HA   LYS  52           HA       LYS  52  -3.029   3.877 -10.334
  418   1HB   LYS  52           HB2      LYS  52  -4.275   1.912  -9.447
  419   2HB   LYS  52           HB3      LYS  52  -3.889   2.428  -7.813
  420   1HG   LYS  52           HG2      LYS  52  -5.143   4.537  -9.376
  421   2HG   LYS  52           HG3      LYS  52  -6.136   3.082  -9.283
  422   1HD   LYS  52           HD2      LYS  52  -5.517   3.202  -6.727
  423   2HD   LYS  52           HD3      LYS  52  -5.234   4.904  -7.099
  424   1HE   LYS  52           HE2      LYS  52  -7.781   3.327  -7.390
  425   2HE   LYS  52           HE3      LYS  52  -7.484   4.729  -6.367
  426   1HZ   LYS  52           HZ2      LYS  52  -7.400   4.844  -9.337
  427   2HZ   LYS  52           HZ1      LYS  52  -8.790   5.185  -8.423
  428   3HZ   LYS  52           HZ3      LYS  52  -7.398   6.150  -8.238
  429    H    PHE  53           HN       PHE  53  -2.024   3.353  -6.940
  430    HA   PHE  53           HA       PHE  53  -2.417   6.091  -6.229
  431   1HB   PHE  53           HB2      PHE  53  -1.135   3.767  -4.777
  432   2HB   PHE  53           HB3      PHE  53  -1.283   5.366  -4.068
  433    HD1  PHE  53           HD1      PHE  53  -3.952   6.242  -4.810
  434    HD2  PHE  53           HD2      PHE  53  -2.594   2.360  -3.715
  435    HE1  PHE  53           HE1      PHE  53  -6.219   5.660  -4.055
  436    HE2  PHE  53           HE2      PHE  53  -4.847   1.776  -2.953
  437    HZ   PHE  53           HZ       PHE  53  -6.672   3.421  -3.130
  438    H    GLY  54           HN       GLY  54   0.325   4.283  -7.405
  439   1HA   GLY  54           HA1      GLY  54   2.274   5.132  -8.322
  440   2HA   GLY  54           HA2      GLY  54   1.789   6.740  -7.814
  441    H    ALA  55           HN       ALA  55   2.639   3.675  -6.174
  442    HA   ALA  55           HA       ALA  55   4.043   5.122  -4.081
  443   1HB   ALA  55           HB1      ALA  55   2.684   2.808  -3.992
  444   2HB   ALA  55           HB2      ALA  55   4.319   2.186  -4.223
  445   3HB   ALA  55           HB3      ALA  55   3.962   3.235  -2.854
  446    H    VAL  56           HN       VAL  56   6.200   5.419  -3.950
  447    HA   VAL  56           HA       VAL  56   7.896   4.399  -6.143
  448    HB   VAL  56           HB       VAL  56   9.377   6.269  -5.738
  449   1HG1  VAL  56          HG11      VAL  56   7.232   6.515  -7.096
  450   2HG1  VAL  56          HG12      VAL  56   6.599   7.421  -5.720
  451   3HG1  VAL  56          HG13      VAL  56   8.027   8.001  -6.574
  452   1HG2  VAL  56          HG21      VAL  56   7.701   6.668  -3.296
  453   2HG2  VAL  56          HG22      VAL  56   9.450   6.772  -3.493
  454   3HG2  VAL  56          HG23      VAL  56   8.416   8.077  -4.076
  455    H    ARG  57           HN       ARG  57   9.864   3.397  -5.698
  456    HA   ARG  57           HA       ARG  57  10.115   2.280  -3.003
  457   1HB   ARG  57           HB2      ARG  57  11.942   1.537  -5.265
  458   2HB   ARG  57           HB3      ARG  57  11.398   0.569  -3.902
  459   1HG   ARG  57           HG2      ARG  57   9.049   0.906  -5.100
  460   2HG   ARG  57           HG3      ARG  57  10.085   1.093  -6.511
  461   1HD   ARG  57           HD2      ARG  57   9.529  -1.301  -4.842
  462   2HD   ARG  57           HD3      ARG  57   9.774  -1.179  -6.580
  463    HE   ARG  57           HE       ARG  57  11.718  -1.799  -4.589
  464   1HH1  ARG  57          HH12      ARG  57  11.338  -0.200  -7.696
  465   2HH1  ARG  57          HH11      ARG  57  12.996  -0.453  -8.165
  466   1HH2  ARG  57          HH22      ARG  57  13.875  -2.122  -5.195
  467   2HH2  ARG  57          HH21      ARG  57  14.446  -1.532  -6.735
  468    H    THR  58           HN       THR  58  11.565   3.040  -1.561
  469    HA   THR  58           HA       THR  58  14.021   4.315  -2.500
  470    HB   THR  58           HB       THR  58  12.330   6.138  -2.404
  471    HG1  THR  58           HG1      THR  58  14.680   6.349  -1.758
  472   1HG2  THR  58          HG23      THR  58  11.047   5.187  -0.446
  473   2HG2  THR  58          HG22      THR  58  12.319   5.847   0.579
  474   3HG2  THR  58          HG21      THR  58  11.355   6.921  -0.431
  475    H    ARG  59           HN       ARG  59  15.574   4.729  -0.780
  476    HA   ARG  59           HA       ARG  59  15.667   2.574   1.101
  477   1HB   ARG  59           HB2      ARG  59  17.487   4.672   0.096
  478   2HB   ARG  59           HB3      ARG  59  17.762   4.220   1.767
  479   1HG   ARG  59           HG2      ARG  59  17.708   1.788   0.842
  480   2HG   ARG  59           HG3      ARG  59  18.025   2.571  -0.704
  481   1HD   ARG  59           HD2      ARG  59  19.705   3.146   1.723
  482   2HD   ARG  59           HD3      ARG  59  20.041   1.768   0.686
  483    HE   ARG  59           HE       ARG  59  20.472   4.582   0.092
  484   1HH1  ARG  59          HH12      ARG  59  20.168   1.342  -1.247
  485   2HH1  ARG  59          HH11      ARG  59  21.029   1.751  -2.708
  486   1HH2  ARG  59          HH22      ARG  59  21.578   5.090  -1.810
  487   2HH2  ARG  59          HH21      ARG  59  21.823   3.876  -3.026
  488    H    ASN  60           HN       ASN  60  14.970   2.573   3.161
  489    HA   ASN  60           HA       ASN  60  13.913   5.017   4.320
  490   1HB   ASN  60           HB2      ASN  60  12.897   3.620   6.003
  491   2HB   ASN  60           HB3      ASN  60  12.646   2.874   4.434
  492   1HD2  ASN  60          HD22      ASN  60  13.499   0.132   6.640
  493   2HD2  ASN  60          HD21      ASN  60  12.195   1.232   6.349
  494    H    ALA  61           HN       ALA  61  14.281   4.461   7.052
  495    HA   ALA  61           HA       ALA  61  16.588   5.859   7.662
  496   1HB   ALA  61           HB3      ALA  61  14.858   4.051   9.331
  497   2HB   ALA  61           HB1      ALA  61  16.234   4.920  10.011
  498   3HB   ALA  61           HB2      ALA  61  14.900   5.812   9.287
  499    H    LYS  62           HN       LYS  62  16.169   2.335   7.462
  500    HA   LYS  62           HA       LYS  62  19.016   1.979   8.143
  501   1HB   LYS  62           HB2      LYS  62  16.769  -0.038   8.184
  502   2HB   LYS  62           HB3      LYS  62  18.461  -0.393   8.525
  503   1HG   LYS  62           HG2      LYS  62  18.419   1.079  10.454
  504   2HG   LYS  62           HG3      LYS  62  16.757   1.548  10.092
  505   1HD   LYS  62           HD2      LYS  62  17.618  -1.275  10.718
  506   2HD   LYS  62           HD3      LYS  62  16.985  -0.144  11.912
  507   1HE   LYS  62           HE2      LYS  62  14.983  -1.026  11.391
  508   2HE   LYS  62           HE3      LYS  62  15.078   0.023   9.976
  509   1HZ   LYS  62           HZ3      LYS  62  16.450  -2.395   9.450
  510   2HZ   LYS  62           HZ2      LYS  62  14.885  -2.748  10.034
  511   3HZ   LYS  62           HZ1      LYS  62  15.081  -1.746   8.674
  512    H    MET  63           HN       MET  63  18.156   2.857   5.529
  513    HA   MET  63           HA       MET  63  18.713   2.543   3.370
  514   1HB   MET  63           HB2      MET  63  20.486   0.238   4.136
  515   2HB   MET  63           HB3      MET  63  20.755   1.481   2.936
  516   1HG   MET  63           HG2      MET  63  21.019   1.694   5.896
  517   2HG   MET  63           HG3      MET  63  22.259   1.920   4.669
  518   1HE   MET  63           HE3      MET  63  21.885   3.469   2.762
  519   2HE   MET  63           HE1      MET  63  20.993   4.993   2.803
  520   3HE   MET  63           HE2      MET  63  22.573   4.877   3.576
  521    H    GLU  64           HN       GLU  64  16.477   0.809   4.467
  522    HA   GLU  64           HA       GLU  64  16.586  -1.522   2.703
  523   1HB   GLU  64           HB2      GLU  64  14.262  -0.640   4.425
  524   2HB   GLU  64           HB3      GLU  64  14.541  -2.227   3.732
  525   1HG   GLU  64           HG2      GLU  64  16.394  -2.614   5.223
  526   2HG   GLU  64           HG3      GLU  64  16.275  -0.972   5.852
  527    H    MET  65           HN       MET  65  15.834  -1.448   0.667
  528    HA   MET  65           HA       MET  65  14.555   0.895  -0.396
  529   1HB   MET  65           HB2      MET  65  15.239  -1.806  -1.569
  530   2HB   MET  65           HB3      MET  65  14.359  -0.591  -2.483
  531   1HG   MET  65           HG2      MET  65  17.051  -0.088  -1.237
  532   2HG   MET  65           HG3      MET  65  16.838  -0.681  -2.884
  533   1HE   MET  65           HE3      MET  65  15.408   0.315  -4.519
  534   2HE   MET  65           HE1      MET  65  14.276   1.596  -4.086
  535   3HE   MET  65           HE2      MET  65  15.742   1.988  -4.977
  536    H    VAL  66           HN       VAL  66  12.572   1.189   0.585
  537    HA   VAL  66           HA       VAL  66  10.595  -0.984   0.319
  538    HB   VAL  66           HB       VAL  66   9.389   0.100   2.232
  539   1HG1  VAL  66          HG11      VAL  66  12.187  -0.919   2.720
  540   2HG1  VAL  66          HG12      VAL  66  10.951  -0.756   3.963
  541   3HG1  VAL  66          HG13      VAL  66  10.711  -1.875   2.623
  542   1HG2  VAL  66          HG22      VAL  66  10.465   2.331   2.023
  543   2HG2  VAL  66          HG23      VAL  66  10.550   1.663   3.652
  544   3HG2  VAL  66          HG21      VAL  66  11.970   1.622   2.607
  545    H    TYR  67           HN       TYR  67   8.423  -0.433  -0.043
  546    HA   TYR  67           HA       TYR  67   7.964   1.601  -2.019
  547   1HB   TYR  67           HB2      TYR  67   6.260  -0.460  -0.622
  548   2HB   TYR  67           HB3      TYR  67   5.493   0.822  -1.537
  549    HD1  TYR  67           HD2      TYR  67   6.942   1.111  -3.957
  550    HD2  TYR  67           HD1      TYR  67   6.040  -2.444  -1.787
  551    HE1  TYR  67           HE2      TYR  67   7.077  -0.187  -6.038
  552    HE2  TYR  67           HE1      TYR  67   6.162  -3.754  -3.863
  553    HH   TYR  67           HH       TYR  67   7.174  -2.282  -6.916
  554    H    CYS  68           HN       CYS  68   7.351   3.638  -1.623
  555    HA   CYS  68           HA       CYS  68   5.873   4.281   0.823
  556   1HB   CYS  68           HB2      CYS  68   8.249   4.812   1.253
  557   2HB   CYS  68           HB3      CYS  68   8.257   5.892  -0.129
  558    HG   CYS  68           HG       CYS  68   6.939   6.457   2.604
  559    H    LEU  69           HN       LEU  69   4.842   6.396   0.699
  560    HA   LEU  69           HA       LEU  69   3.895   6.906  -2.048
  561   1HB   LEU  69           HB2      LEU  69   2.454   6.471   0.223
  562   2HB   LEU  69           HB3      LEU  69   2.523   8.223   0.215
  563    HG   LEU  69           HG       LEU  69   1.512   8.282  -2.003
  564   1HD1  LEU  69          HD12      LEU  69   2.204   5.456  -1.982
  565   2HD1  LEU  69          HD13      LEU  69   0.521   5.724  -2.430
  566   3HD1  LEU  69          HD11      LEU  69   1.808   6.513  -3.337
  567   1HD2  LEU  69          HD21      LEU  69   0.077   8.250  -0.006
  568   2HD2  LEU  69          HD22      LEU  69  -0.698   7.526  -1.414
  569   3HD2  LEU  69          HD23      LEU  69  -0.044   6.494  -0.142
  570    HA   PRO  70           HA       PRO  70   6.217  10.706  -1.982
  571   1HB   PRO  70           HB2      PRO  70   5.093  11.956  -4.101
  572   2HB   PRO  70           HB3      PRO  70   6.230  10.613  -4.269
  573   1HG   PRO  70           HG2      PRO  70   3.240  10.577  -4.429
  574   2HG   PRO  70           HG3      PRO  70   4.428   9.752  -5.457
  575   1HD   PRO  70           HD2      PRO  70   3.096   8.498  -3.450
  576   2HD   PRO  70           HD3      PRO  70   4.739   8.039  -3.938
  577    H    ALA  71           HN       ALA  71   5.987  12.682  -1.112
  578    HA   ALA  71           HA       ALA  71   3.970  13.426   0.555
  579   1HB   ALA  71           HB2      ALA  71   5.887  15.197  -0.949
  580   2HB   ALA  71           HB3      ALA  71   4.919  15.723   0.430
  581   3HB   ALA  71           HB1      ALA  71   6.133  14.460   0.635
  582    H    GLU  72           HN       GLU  72   1.962  14.147   0.351
  583    HA   GLU  72           HA       GLU  72   0.023  14.976  -0.429
  584   1HB   GLU  72           HB2      GLU  72   1.840  16.720  -2.092
  585   2HB   GLU  72           HB3      GLU  72   0.129  17.008  -1.819
  586   1HG   GLU  72           HG2      GLU  72   0.611  17.183   0.616
  587   2HG   GLU  72           HG3      GLU  72   2.327  17.043   0.241
  588    H    LEU  73           HN       LEU  73  -0.837  13.188  -1.420
  589    HA   LEU  73           HA       LEU  73  -0.382  12.845  -4.316
  590   1HB   LEU  73           HB2      LEU  73   0.044  10.871  -2.896
  591   2HB   LEU  73           HB3      LEU  73  -1.601  10.945  -2.298
  592    HG   LEU  73           HG       LEU  73  -2.409  10.526  -4.631
  593   1HD1  LEU  73          HD13      LEU  73   0.535  10.138  -5.160
  594   2HD1  LEU  73          HD11      LEU  73  -0.751   9.579  -6.229
  595   3HD1  LEU  73          HD12      LEU  73  -0.549  11.303  -5.924
  596   1HD2  LEU  73          HD23      LEU  73  -2.113   8.747  -2.907
  597   2HD2  LEU  73          HD21      LEU  73  -2.038   8.188  -4.577
  598   3HD2  LEU  73          HD22      LEU  73  -0.554   8.379  -3.645
  599    H    GLY  74           HN       GLY  74  -1.772  14.414  -5.133
  600   1HA   GLY  74           HA1      GLY  74  -4.317  13.825  -5.799
  601   2HA   GLY  74           HA2      GLY  74  -4.529  14.561  -4.219
  602    H    VAL  75           HN       VAL  75  -3.499  15.118  -7.532
  603    HA   VAL  75           HA       VAL  75  -3.116  17.954  -7.178
  604    HB   VAL  75           HB       VAL  75  -3.145  17.911  -9.773
  605   1HG1  VAL  75          HG23      VAL  75  -1.047  16.376  -8.241
  606   2HG1  VAL  75          HG21      VAL  75  -0.843  17.068  -9.850
  607   3HG1  VAL  75          HG22      VAL  75  -1.108  18.125  -8.461
  608   1HG2  VAL  75          HG13      VAL  75  -4.275  15.590  -9.744
  609   2HG2  VAL  75          HG11      VAL  75  -2.972  15.870 -10.893
  610   3HG2  VAL  75          HG12      VAL  75  -2.659  14.968  -9.414
  611    HA   PRO  76           HA       PRO  76  -7.258  19.450  -7.736
  612   1HB   PRO  76           HB2      PRO  76  -6.314  21.331  -9.830
  613   2HB   PRO  76           HB3      PRO  76  -7.095  21.666  -8.283
  614   1HG   PRO  76           HG2      PRO  76  -4.496  22.147  -8.646
  615   2HG   PRO  76           HG3      PRO  76  -5.106  21.530  -7.102
  616   1HD   PRO  76           HD2      PRO  76  -3.715  20.062  -9.316
  617   2HD   PRO  76           HD3      PRO  76  -3.498  19.921  -7.560
  618    H    THR  77           HN       THR  77  -8.657  18.098  -8.708
  619    HA   THR  77           HA       THR  77  -8.898  18.145 -11.625
  620    HB   THR  77           HB       THR  77  -7.344  16.251 -11.065
  621    HG1  THR  77           HG1      THR  77  -8.192  15.076 -12.589
  622   1HG2  THR  77          HG21      THR  77  -8.275  15.594  -8.871
  623   2HG2  THR  77          HG23      THR  77  -9.694  14.942  -9.695
  624   3HG2  THR  77          HG22      THR  77  -8.103  14.244  -9.990
  625    H    THR  78           HN       THR  78 -10.836  16.379 -12.079
  626    HA   THR  78           HA       THR  78 -13.096  17.439 -10.540
  627    HB   THR  78           HB       THR  78 -14.380  16.209 -12.469
  628    HG1  THR  78           HG1      THR  78 -12.486  15.131 -13.259
  629   1HG2  THR  78          HG23      THR  78 -14.270  18.637 -12.279
  630   2HG2  THR  78          HG22      THR  78 -12.709  18.630 -13.098
  631   3HG2  THR  78          HG21      THR  78 -14.158  18.104 -13.953
   
  No H/Q in entry =         631
  Start of MODEL   10
    1   1H    MET   1           HT2      MET   1 -20.190  12.366   0.629
    2   2H    MET   1           HT1      MET   1 -20.790  12.946  -0.879
    3   3H    MET   1           HT3      MET   1 -21.204  13.757   0.585
    4    HA   MET   1           HA       MET   1 -22.736  12.293   1.150
    5   1HB   MET   1           HB2      MET   1 -22.508  11.735  -1.823
    6   2HB   MET   1           HB3      MET   1 -23.948  11.513  -0.841
    7   1HG   MET   1           HG2      MET   1 -23.440  14.119  -0.359
    8   2HG   MET   1           HG3      MET   1 -22.795  13.965  -1.992
    9   1HE   MET   1           HE1      MET   1 -25.640  12.890   0.261
   10   2HE   MET   1           HE2      MET   1 -26.235  14.526  -0.015
   11   3HE   MET   1           HE3      MET   1 -27.108  13.143  -0.681
   12    H    ARG   2           HN       ARG   2 -23.478   9.826  -0.267
   13    HA   ARG   2           HA       ARG   2 -21.291   7.986  -0.027
   14   1HB   ARG   2           HB2      ARG   2 -22.181   8.543   2.391
   15   2HB   ARG   2           HB3      ARG   2 -23.489   7.455   1.956
   16   1HG   ARG   2           HG2      ARG   2 -20.892   6.320   1.334
   17   2HG   ARG   2           HG3      ARG   2 -21.017   6.780   3.033
   18   1HD   ARG   2           HD2      ARG   2 -22.933   5.004   1.513
   19   2HD   ARG   2           HD3      ARG   2 -21.724   4.464   2.677
   20    HE   ARG   2           HE       ARG   2 -24.292   5.728   3.232
   21   1HH1  ARG   2          HH12      ARG   2 -21.155   4.798   4.525
   22   2HH1  ARG   2          HH11      ARG   2 -21.695   4.819   6.183
   23   1HH2  ARG   2          HH22      ARG   2 -24.987   5.773   5.403
   24   2HH2  ARG   2          HH21      ARG   2 -23.872   5.372   6.683
   25    H    SER   3           HN       SER   3 -21.624   6.502  -1.513
   26    HA   SER   3           HA       SER   3 -24.381   5.647  -2.181
   27   1HB   SER   3           HB2      SER   3 -23.235   4.985  -4.439
   28   2HB   SER   3           HB3      SER   3 -23.669   6.671  -4.159
   29    HG   SER   3           HG       SER   3 -21.616   7.218  -4.025
   30    H    SER   4           HN       SER   4 -21.012   4.567  -2.510
   31    HA   SER   4           HA       SER   4 -21.548   2.126  -1.025
   32   1HB   SER   4           HB2      SER   4 -20.261   1.823  -3.743
   33   2HB   SER   4           HB3      SER   4 -20.929   0.573  -2.698
   34    HG   SER   4           HG       SER   4 -22.121   1.912  -4.675
   35    H    ALA   5           HN       ALA   5 -20.128   3.101   0.455
   36    HA   ALA   5           HA       ALA   5 -17.305   3.343  -0.405
   37   1HB   ALA   5           HB2      ALA   5 -18.841   4.984   1.600
   38   2HB   ALA   5           HB3      ALA   5 -17.083   5.013   1.462
   39   3HB   ALA   5           HB1      ALA   5 -18.082   5.524   0.105
   40    H    LYS   6           HN       LYS   6 -17.880   0.881   0.228
   41    HA   LYS   6           HA       LYS   6 -17.232   0.461   3.059
   42   1HB   LYS   6           HB2      LYS   6 -18.661  -1.124   1.004
   43   2HB   LYS   6           HB3      LYS   6 -17.671  -2.043   2.128
   44   1HG   LYS   6           HG2      LYS   6 -19.581  -0.004   3.171
   45   2HG   LYS   6           HG3      LYS   6 -20.169  -1.584   2.659
   46   1HD   LYS   6           HD2      LYS   6 -19.241  -2.646   4.427
   47   2HD   LYS   6           HD3      LYS   6 -17.788  -1.644   4.394
   48   1HE   LYS   6           HE2      LYS   6 -18.952   0.152   5.524
   49   2HE   LYS   6           HE3      LYS   6 -20.468  -0.745   5.447
   50   1HZ   LYS   6           HZ3      LYS   6 -18.698  -2.454   6.673
   51   2HZ   LYS   6           HZ2      LYS   6 -18.368  -0.932   7.368
   52   3HZ   LYS   6           HZ1      LYS   6 -19.945  -1.568   7.422
   53    H    GLN   7           HN       GLN   7 -15.733   0.694   0.124
   54    HA   GLN   7           HA       GLN   7 -13.544  -1.120   0.895
   55   1HB   GLN   7           HB2      GLN   7 -14.759  -1.274  -1.409
   56   2HB   GLN   7           HB3      GLN   7 -13.737   0.090  -1.840
   57   1HG   GLN   7           HG2      GLN   7 -12.363  -1.589  -2.492
   58   2HG   GLN   7           HG3      GLN   7 -11.867  -1.463  -0.808
   59   1HE2  GLN   7          HE22      GLN   7 -12.914  -4.663   0.071
   60   2HE2  GLN   7          HE21      GLN   7 -12.207  -3.163   0.562
   61    H    GLU   8           HN       GLU   8 -14.312   2.081   1.171
   62    HA   GLU   8           HA       GLU   8 -11.844   3.332   0.434
   63   1HB   GLU   8           HB2      GLU   8 -13.898   4.244   2.472
   64   2HB   GLU   8           HB3      GLU   8 -12.621   5.231   1.771
   65   1HG   GLU   8           HG2      GLU   8 -13.711   4.684  -0.491
   66   2HG   GLU   8           HG3      GLU   8 -15.102   4.174   0.463
   67    H    GLU   9           HN       GLU   9 -12.477   1.037   2.685
   68    HA   GLU   9           HA       GLU   9 -10.813   1.963   4.888
   69   1HB   GLU   9           HB2      GLU   9 -12.043  -0.760   4.358
   70   2HB   GLU   9           HB3      GLU   9 -11.294  -0.247   5.865
   71   1HG   GLU   9           HG2      GLU   9 -13.045   1.227   6.370
   72   2HG   GLU   9           HG3      GLU   9 -13.671   1.189   4.724
   73    H    LEU  10           HN       LEU  10 -10.732  -0.381   2.255
   74    HA   LEU  10           HA       LEU  10  -8.115  -1.390   2.788
   75   1HB   LEU  10           HB2      LEU  10  -9.695  -2.707   1.548
   76   2HB   LEU  10           HB3      LEU  10  -9.875  -1.455   0.336
   77    HG   LEU  10           HG       LEU  10  -7.598  -1.863  -0.454
   78   1HD1  LEU  10          HD11      LEU  10  -7.488  -3.597   1.953
   79   2HD1  LEU  10          HD12      LEU  10  -6.635  -4.144   0.508
   80   3HD1  LEU  10          HD13      LEU  10  -6.243  -2.583   1.222
   81   1HD2  LEU  10          HD22      LEU  10  -9.705  -3.279  -1.096
   82   2HD2  LEU  10          HD23      LEU  10  -8.105  -3.720  -1.689
   83   3HD2  LEU  10          HD21      LEU  10  -8.808  -4.583  -0.316
   84    H    VAL  11           HN       VAL  11  -9.377   1.409   1.158
   85    HA   VAL  11           HA       VAL  11  -6.987   1.992  -0.351
   86    HB   VAL  11           HB       VAL  11  -9.437   3.660   0.283
   87   1HG1  VAL  11          HG13      VAL  11  -6.865   4.461  -0.957
   88   2HG1  VAL  11          HG11      VAL  11  -8.350   5.065  -1.693
   89   3HG1  VAL  11          HG12      VAL  11  -8.004   5.405   0.002
   90   1HG2  VAL  11          HG21      VAL  11  -8.445   2.180  -2.138
   91   2HG2  VAL  11          HG22      VAL  11  -9.982   2.003  -1.289
   92   3HG2  VAL  11          HG23      VAL  11  -9.663   3.448  -2.253
   93    H    LYS  12           HN       LYS  12  -8.512   3.648   2.471
   94    HA   LYS  12           HA       LYS  12  -6.390   5.343   3.071
   95   1HB   LYS  12           HB2      LYS  12  -7.324   5.422   5.348
   96   2HB   LYS  12           HB3      LYS  12  -8.520   5.648   4.093
   97   1HG   LYS  12           HG2      LYS  12  -9.680   4.256   5.435
   98   2HG   LYS  12           HG3      LYS  12  -8.851   3.057   4.447
   99   1HD   LYS  12           HD2      LYS  12  -8.276   2.209   6.462
  100   2HD   LYS  12           HD3      LYS  12  -7.003   3.420   6.329
  101   1HE   LYS  12           HE2      LYS  12  -9.606   4.201   7.564
  102   2HE   LYS  12           HE3      LYS  12  -8.478   3.233   8.507
  103   1HZ   LYS  12           HZ1      LYS  12  -6.878   5.169   7.512
  104   2HZ   LYS  12           HZ3      LYS  12  -8.333   6.020   7.751
  105   3HZ   LYS  12           HZ2      LYS  12  -7.597   5.201   9.054
  106    H    ALA  13           HN       ALA  13  -6.968   2.080   4.180
  107    HA   ALA  13           HA       ALA  13  -4.731   1.765   5.844
  108   1HB   ALA  13           HB2      ALA  13  -6.211  -0.312   4.230
  109   2HB   ALA  13           HB3      ALA  13  -5.037  -0.664   5.494
  110   3HB   ALA  13           HB1      ALA  13  -6.537   0.166   5.895
  111    H    PHE  14           HN       PHE  14  -5.106   0.984   2.368
  112    HA   PHE  14           HA       PHE  14  -2.593  -0.067   1.829
  113   1HB   PHE  14           HB2      PHE  14  -4.583   0.087   0.242
  114   2HB   PHE  14           HB3      PHE  14  -4.094   1.732  -0.107
  115    HD1  PHE  14           HD2      PHE  14  -3.207  -1.826  -0.413
  116    HD2  PHE  14           HD1      PHE  14  -2.205   2.161  -1.522
  117    HE1  PHE  14           HE2      PHE  14  -1.689  -2.691  -2.130
  118    HE2  PHE  14           HE1      PHE  14  -0.681   1.289  -3.251
  119    HZ   PHE  14           HZ       PHE  14  -0.431  -1.132  -3.544
  120    H    LYS  15           HN       LYS  15  -3.579   3.343   1.404
  121    HA   LYS  15           HA       LYS  15  -1.130   4.432   0.749
  122   1HB   LYS  15           HB2      LYS  15  -3.119   5.891   2.505
  123   2HB   LYS  15           HB3      LYS  15  -2.094   6.554   1.240
  124   1HG   LYS  15           HG2      LYS  15  -4.192   4.577   0.497
  125   2HG   LYS  15           HG3      LYS  15  -4.678   6.214   0.883
  126   1HD   LYS  15           HD2      LYS  15  -2.407   5.990  -0.958
  127   2HD   LYS  15           HD3      LYS  15  -3.903   5.304  -1.562
  128   1HE   LYS  15           HE2      LYS  15  -3.410   7.791  -2.071
  129   2HE   LYS  15           HE3      LYS  15  -5.025   7.350  -1.509
  130   1HZ   LYS  15           HZ1      LYS  15  -4.331   8.018   0.763
  131   2HZ   LYS  15           HZ3      LYS  15  -2.853   8.563   0.126
  132   3HZ   LYS  15           HZ2      LYS  15  -4.309   9.300  -0.356
  133    H    ALA  16           HN       ALA  16  -2.510   3.978   3.987
  134    HA   ALA  16           HA       ALA  16  -0.466   5.214   5.471
  135   1HB   ALA  16           HB2      ALA  16  -2.699   4.694   6.373
  136   2HB   ALA  16           HB3      ALA  16  -2.287   2.981   6.369
  137   3HB   ALA  16           HB1      ALA  16  -1.401   4.098   7.405
  138    H    LEU  17           HN       LEU  17  -0.941   1.748   4.679
  139    HA   LEU  17           HA       LEU  17   1.230   0.651   6.026
  140   1HB   LEU  17           HB2      LEU  17  -0.027  -0.154   3.403
  141   2HB   LEU  17           HB3      LEU  17   1.186  -1.117   4.216
  142    HG   LEU  17           HG       LEU  17  -1.640  -0.600   5.021
  143   1HD1  LEU  17          HD11      LEU  17  -1.149  -2.555   3.661
  144   2HD1  LEU  17          HD12      LEU  17   0.052  -3.078   4.842
  145   3HD1  LEU  17          HD13      LEU  17  -1.655  -3.029   5.285
  146   1HD2  LEU  17          HD22      LEU  17   0.623  -1.370   6.837
  147   2HD2  LEU  17          HD23      LEU  17  -0.580  -0.101   7.070
  148   3HD2  LEU  17          HD21      LEU  17  -1.050  -1.794   7.183
  149    H    LEU  18           HN       LEU  18   1.139   2.021   2.755
  150    HA   LEU  18           HA       LEU  18   3.888   1.494   2.155
  151   1HB   LEU  18           HB2      LEU  18   2.134   3.656   0.998
  152   2HB   LEU  18           HB3      LEU  18   3.616   3.036   0.302
  153    HG   LEU  18           HG       LEU  18   1.220   1.257   0.714
  154   1HD1  LEU  18          HD12      LEU  18   0.853   3.434  -0.673
  155   2HD1  LEU  18          HD13      LEU  18   1.805   2.585  -1.891
  156   3HD1  LEU  18          HD11      LEU  18   0.306   1.881  -1.296
  157   1HD2  LEU  18          HD21      LEU  18   3.436   0.220   0.272
  158   2HD2  LEU  18          HD22      LEU  18   2.237  -0.086  -0.985
  159   3HD2  LEU  18          HD23      LEU  18   3.494   1.118  -1.250
  160    H    LYS  19           HN       LYS  19   2.200   4.467   3.157
  161    HA   LYS  19           HA       LYS  19   4.415   6.142   3.230
  162   1HB   LYS  19           HB2      LYS  19   1.753   6.237   4.610
  163   2HB   LYS  19           HB3      LYS  19   2.948   7.504   4.851
  164   1HG   LYS  19           HG2      LYS  19   3.005   7.838   2.380
  165   2HG   LYS  19           HG3      LYS  19   1.685   6.668   2.238
  166   1HD   LYS  19           HD2      LYS  19   0.171   8.216   2.773
  167   2HD   LYS  19           HD3      LYS  19   1.070   8.689   4.215
  168   1HE   LYS  19           HE2      LYS  19   1.664   9.648   1.410
  169   2HE   LYS  19           HE3      LYS  19   0.730  10.547   2.602
  170   1HZ   LYS  19           HZ2      LYS  19   3.383   9.652   3.443
  171   2HZ   LYS  19           HZ1      LYS  19   3.342  10.867   2.259
  172   3HZ   LYS  19           HZ3      LYS  19   2.571  11.118   3.755
  173    H    GLU  20           HN       GLU  20   3.619   3.657   5.484
  174    HA   GLU  20           HA       GLU  20   5.025   4.762   7.749
  175   1HB   GLU  20           HB2      GLU  20   3.838   2.081   7.093
  176   2HB   GLU  20           HB3      GLU  20   4.924   2.239   8.466
  177   1HG   GLU  20           HG2      GLU  20   3.392   4.124   9.249
  178   2HG   GLU  20           HG3      GLU  20   2.253   3.531   8.046
  179    H    GLU  21           HN       GLU  21   6.014   3.234   4.843
  180    HA   GLU  21           HA       GLU  21   7.997   2.502   4.015
  181   1HB   GLU  21           HB2      GLU  21   9.301   3.842   6.397
  182   2HB   GLU  21           HB3      GLU  21  10.039   3.473   4.845
  183   1HG   GLU  21           HG2      GLU  21   8.419   5.051   3.783
  184   2HG   GLU  21           HG3      GLU  21   7.888   5.511   5.399
  185    H    LYS  22           HN       LYS  22   7.111   0.358   4.679
  186    HA   LYS  22           HA       LYS  22   8.960  -1.019   6.519
  187   1HB   LYS  22           HB2      LYS  22   6.984  -0.623   7.813
  188   2HB   LYS  22           HB3      LYS  22   5.938  -1.141   6.503
  189   1HG   LYS  22           HG2      LYS  22   6.203  -3.343   6.964
  190   2HG   LYS  22           HG3      LYS  22   7.861  -3.140   7.529
  191   1HD   LYS  22           HD2      LYS  22   7.059  -2.179   9.614
  192   2HD   LYS  22           HD3      LYS  22   5.392  -2.300   9.046
  193   1HE   LYS  22           HE2      LYS  22   6.104  -4.122  10.619
  194   2HE   LYS  22           HE3      LYS  22   5.460  -4.678   9.075
  195   1HZ   LYS  22           HZ2      LYS  22   8.372  -4.342   9.484
  196   2HZ   LYS  22           HZ1      LYS  22   7.573  -5.773   9.956
  197   3HZ   LYS  22           HZ3      LYS  22   7.555  -5.286   8.324
  198    H    PHE  23           HN       PHE  23   6.432  -1.500   4.072
  199    HA   PHE  23           HA       PHE  23   7.308  -4.185   3.491
  200   1HB   PHE  23           HB2      PHE  23   5.262  -2.500   2.031
  201   2HB   PHE  23           HB3      PHE  23   5.410  -4.263   2.002
  202    HD1  PHE  23           HD1      PHE  23   5.109  -5.526   4.164
  203    HD2  PHE  23           HD2      PHE  23   3.999  -1.442   3.740
  204    HE1  PHE  23           HE1      PHE  23   3.703  -5.708   6.170
  205    HE2  PHE  23           HE2      PHE  23   2.590  -1.618   5.748
  206    HZ   PHE  23           HZ       PHE  23   2.433  -3.753   6.962
  207    H    SER  24           HN       SER  24   8.553  -4.882   1.862
  208    HA   SER  24           HA       SER  24   9.649  -2.888  -0.002
  209   1HB   SER  24           HB2      SER  24  11.387  -4.802  -0.381
  210   2HB   SER  24           HB3      SER  24  11.459  -3.844   1.089
  211    HG   SER  24           HG       SER  24  10.657  -5.504   2.253
  212    H    SER  25           HN       SER  25   7.726  -5.755   0.059
  213    HA   SER  25           HA       SER  25   7.674  -5.752  -2.891
  214   1HB   SER  25           HB2      SER  25   7.111  -8.306  -2.538
  215   2HB   SER  25           HB3      SER  25   8.784  -7.760  -2.533
  216    HG   SER  25           HG       SER  25   8.963  -8.269  -0.499
  217    H    GLN  26           HN       GLN  26   5.704  -6.574  -3.829
  218    HA   GLN  26           HA       GLN  26   3.344  -5.411  -2.800
  219   1HB   GLN  26           HB2      GLN  26   3.352  -7.697  -4.748
  220   2HB   GLN  26           HB3      GLN  26   2.257  -6.361  -4.645
  221   1HG   GLN  26           HG2      GLN  26   3.530  -4.988  -5.879
  222   2HG   GLN  26           HG3      GLN  26   5.038  -5.616  -5.233
  223   1HE2  GLN  26          HE22      GLN  26   4.427  -6.492  -8.881
  224   2HE2  GLN  26          HE21      GLN  26   4.162  -5.027  -7.995
  225    H    GLY  27           HN       GLY  27   4.233  -8.844  -3.112
  226   1HA   GLY  27           HA1      GLY  27   2.154 -10.082  -1.810
  227   2HA   GLY  27           HA2      GLY  27   3.798 -10.686  -1.780
  228    H    GLU  28           HN       GLU  28   4.799  -8.356  -0.242
  229    HA   GLU  28           HA       GLU  28   4.363  -9.342   2.387
  230   1HB   GLU  28           HB2      GLU  28   6.361  -7.966   1.280
  231   2HB   GLU  28           HB3      GLU  28   5.478  -6.602   1.940
  232   1HG   GLU  28           HG2      GLU  28   5.595  -7.663   4.179
  233   2HG   GLU  28           HG3      GLU  28   6.546  -8.971   3.477
  234    H    ILE  29           HN       ILE  29   3.200  -6.429   0.666
  235    HA   ILE  29           HA       ILE  29   1.634  -5.552   2.927
  236    HB   ILE  29           HB       ILE  29   1.982  -3.622   1.941
  237   1HG1  ILE  29          HG12      ILE  29  -0.045  -4.457  -0.133
  238   2HG1  ILE  29          HG13      ILE  29  -0.418  -3.808   1.465
  239   1HG2  ILE  29          HG22      ILE  29   3.647  -4.576   0.436
  240   2HG2  ILE  29          HG23      ILE  29   2.382  -4.906  -0.742
  241   3HG2  ILE  29          HG21      ILE  29   2.764  -3.248  -0.311
  242   1HD1  ILE  29          HD13      ILE  29   1.241  -1.891   0.500
  243   2HD1  ILE  29          HD11      ILE  29   0.442  -2.434  -0.975
  244   3HD1  ILE  29          HD12      ILE  29  -0.519  -1.854   0.384
  245    H    VAL  30           HN       VAL  30   1.143  -7.736   0.308
  246    HA   VAL  30           HA       VAL  30  -1.695  -7.727   0.140
  247    HB   VAL  30           HB       VAL  30   0.280  -9.995  -0.299
  248   1HG1  VAL  30          HG12      VAL  30  -2.653  -9.913  -0.971
  249   2HG1  VAL  30          HG13      VAL  30  -1.526 -11.174  -1.464
  250   3HG1  VAL  30          HG11      VAL  30  -1.897 -10.942   0.243
  251   1HG2  VAL  30          HG21      VAL  30   0.259  -7.938  -1.846
  252   2HG2  VAL  30          HG22      VAL  30   0.194  -9.536  -2.577
  253   3HG2  VAL  30          HG23      VAL  30  -1.272  -8.572  -2.425
  254    H    ALA  31           HN       ALA  31   0.539  -9.827   1.961
  255    HA   ALA  31           HA       ALA  31  -1.418 -11.133   3.519
  256   1HB   ALA  31           HB1      ALA  31   1.544 -10.874   3.639
  257   2HB   ALA  31           HB2      ALA  31   0.703 -11.469   5.070
  258   3HB   ALA  31           HB3      ALA  31   0.532 -12.315   3.533
  259    H    ALA  32           HN       ALA  32   0.477  -8.190   4.099
  260    HA   ALA  32           HA       ALA  32  -0.108  -7.726   6.772
  261   1HB   ALA  32           HB2      ALA  32   1.496  -6.413   5.413
  262   2HB   ALA  32           HB3      ALA  32   0.132  -5.580   4.665
  263   3HB   ALA  32           HB1      ALA  32   0.425  -5.416   6.399
  264    H    LEU  33           HN       LEU  33  -2.003  -6.629   3.925
  265    HA   LEU  33           HA       LEU  33  -4.040  -5.391   5.490
  266   1HB   LEU  33           HB2      LEU  33  -4.215  -6.356   2.636
  267   2HB   LEU  33           HB3      LEU  33  -5.349  -5.271   3.432
  268    HG   LEU  33           HG       LEU  33  -2.469  -4.467   3.302
  269   1HD1  LEU  33          HD12      LEU  33  -2.959  -5.202   1.028
  270   2HD1  LEU  33          HD13      LEU  33  -4.394  -4.175   1.004
  271   3HD1  LEU  33          HD11      LEU  33  -2.789  -3.451   1.117
  272   1HD2  LEU  33          HD21      LEU  33  -5.104  -2.996   3.254
  273   2HD2  LEU  33          HD22      LEU  33  -3.943  -3.069   4.579
  274   3HD2  LEU  33          HD23      LEU  33  -3.527  -2.222   3.091
  275    H    GLN  34           HN       GLN  34  -3.713  -8.651   4.092
  276    HA   GLN  34           HA       GLN  34  -6.309  -9.547   4.735
  277   1HB   GLN  34           HB2      GLN  34  -3.708 -11.001   4.303
  278   2HB   GLN  34           HB3      GLN  34  -5.191 -11.860   4.694
  279   1HG   GLN  34           HG2      GLN  34  -5.913 -10.169   2.605
  280   2HG   GLN  34           HG3      GLN  34  -4.308 -10.707   2.178
  281   1HE2  GLN  34          HE22      GLN  34  -5.448 -13.639   0.897
  282   2HE2  GLN  34          HE21      GLN  34  -4.332 -12.329   0.875
  283    H    GLU  35           HN       GLU  35  -3.460  -9.111   6.712
  284    HA   GLU  35           HA       GLU  35  -4.533 -10.558   8.995
  285   1HB   GLU  35           HB2      GLU  35  -2.088  -8.795   8.683
  286   2HB   GLU  35           HB3      GLU  35  -2.545  -9.572  10.193
  287   1HG   GLU  35           HG2      GLU  35  -2.529 -11.739   8.673
  288   2HG   GLU  35           HG3      GLU  35  -1.442 -10.759   7.700
  289    H    GLN  36           HN       GLN  36  -4.411  -7.251   7.802
  290    HA   GLN  36           HA       GLN  36  -5.138  -5.877  10.169
  291   1HB   GLN  36           HB2      GLN  36  -5.443  -5.201   7.245
  292   2HB   GLN  36           HB3      GLN  36  -5.994  -4.119   8.508
  293   1HG   GLN  36           HG2      GLN  36  -3.443  -4.636   9.308
  294   2HG   GLN  36           HG3      GLN  36  -3.281  -4.695   7.558
  295   1HE2  GLN  36          HE22      GLN  36  -3.112  -1.193   9.222
  296   2HE2  GLN  36          HE21      GLN  36  -2.661  -2.724   9.893
  297    H    GLY  37           HN       GLY  37  -7.148  -6.812   7.378
  298   1HA   GLY  37           HA1      GLY  37  -9.279  -7.956   8.605
  299   2HA   GLY  37           HA2      GLY  37  -9.599  -6.237   8.803
  300    H    PHE  38           HN       PHE  38  -8.006  -7.698   6.004
  301    HA   PHE  38           HA       PHE  38 -10.359  -6.983   4.343
  302   1HB   PHE  38           HB2      PHE  38  -7.428  -6.686   3.623
  303   2HB   PHE  38           HB3      PHE  38  -8.795  -6.285   2.585
  304    HD1  PHE  38           HD2      PHE  38 -10.323  -4.463   3.224
  305    HD2  PHE  38           HD1      PHE  38  -6.716  -5.220   5.315
  306    HE1  PHE  38           HE2      PHE  38 -10.429  -2.216   4.237
  307    HE2  PHE  38           HE1      PHE  38  -6.800  -2.994   6.331
  308    HZ   PHE  38           HZ       PHE  38  -8.654  -1.488   5.792
  309    H    ASP  39           HN       ASP  39 -10.339  -8.012   2.214
  310    HA   ASP  39           HA       ASP  39  -8.951 -10.534   1.991
  311   1HB   ASP  39           HB2      ASP  39 -11.433 -10.713   3.028
  312   2HB   ASP  39           HB3      ASP  39 -11.892 -10.576   1.338
  313    H    ASN  40           HN       ASN  40 -10.440 -11.303  -0.226
  314    HA   ASN  40           HA       ASN  40 -10.163 -11.257  -2.493
  315   1HB   ASN  40           HB2      ASN  40 -11.398  -9.582  -3.647
  316   2HB   ASN  40           HB3      ASN  40 -12.219  -9.849  -2.119
  317   1HD2  ASN  40          HD22      ASN  40 -11.929  -6.562  -1.037
  318   2HD2  ASN  40          HD21      ASN  40 -12.459  -8.176  -0.715
  319    H    ILE  41           HN       ILE  41  -7.923 -10.049  -0.795
  320    HA   ILE  41           HA       ILE  41  -6.600  -8.424  -2.822
  321    HB   ILE  41           HB       ILE  41  -6.484  -8.614   0.146
  322   1HG1  ILE  41          HG12      ILE  41  -7.544  -6.839  -1.570
  323   2HG1  ILE  41          HG13      ILE  41  -6.989  -6.399   0.043
  324   1HG2  ILE  41          HG22      ILE  41  -4.080  -7.948  -1.518
  325   2HG2  ILE  41          HG23      ILE  41  -4.342  -7.193   0.050
  326   3HG2  ILE  41          HG21      ILE  41  -4.198  -8.942  -0.066
  327   1HD1  ILE  41          HD13      ILE  41  -5.219  -6.217  -2.371
  328   2HD1  ILE  41          HD11      ILE  41  -6.269  -4.902  -1.852
  329   3HD1  ILE  41          HD12      ILE  41  -4.988  -5.479  -0.786
  330    H    ASN  42           HN       ASN  42  -4.961  -9.094  -3.925
  331    HA   ASN  42           HA       ASN  42  -3.164 -11.154  -2.954
  332   1HB   ASN  42           HB2      ASN  42  -3.313 -12.613  -4.823
  333   2HB   ASN  42           HB3      ASN  42  -4.961 -12.338  -4.290
  334   1HD2  ASN  42          HD22      ASN  42  -6.018 -10.850  -7.272
  335   2HD2  ASN  42          HD21      ASN  42  -6.376 -11.181  -5.612
  336    H    GLN  43           HN       GLN  43  -1.428 -11.426  -4.953
  337    HA   GLN  43           HA       GLN  43   0.055  -9.108  -4.923
  338   1HB   GLN  43           HB2      GLN  43   0.735 -11.526  -5.553
  339   2HB   GLN  43           HB3      GLN  43   0.337 -11.056  -7.202
  340   1HG   GLN  43           HG2      GLN  43   1.979  -9.246  -7.089
  341   2HG   GLN  43           HG3      GLN  43   2.353  -9.681  -5.423
  342   1HE2  GLN  43          HE22      GLN  43   4.274 -12.518  -6.274
  343   2HE2  GLN  43          HE21      GLN  43   3.280 -11.807  -5.050
  344    H    SER  44           HN       SER  44  -2.364 -10.005  -7.364
  345    HA   SER  44           HA       SER  44  -1.629  -8.070  -9.290
  346   1HB   SER  44           HB2      SER  44  -3.715  -8.608 -10.358
  347   2HB   SER  44           HB3      SER  44  -3.068 -10.101  -9.697
  348    HG   SER  44           HG       SER  44  -5.165 -10.112  -9.066
  349    H    LYS  45           HN       LYS  45  -4.299  -8.064  -6.933
  350    HA   LYS  45           HA       LYS  45  -5.220  -5.473  -7.405
  351   1HB   LYS  45           HB2      LYS  45  -6.070  -7.527  -5.873
  352   2HB   LYS  45           HB3      LYS  45  -5.398  -6.503  -4.614
  353   1HG   LYS  45           HG2      LYS  45  -7.167  -5.163  -4.665
  354   2HG   LYS  45           HG3      LYS  45  -7.042  -4.954  -6.412
  355   1HD   LYS  45           HD2      LYS  45  -8.234  -7.079  -6.748
  356   2HD   LYS  45           HD3      LYS  45  -8.369  -7.271  -5.002
  357   1HE   LYS  45           HE2      LYS  45  -9.629  -5.125  -6.702
  358   2HE   LYS  45           HE3      LYS  45 -10.450  -6.423  -5.835
  359   1HZ   LYS  45           HZ1      LYS  45  -9.565  -5.416  -3.751
  360   2HZ   LYS  45           HZ3      LYS  45  -9.022  -4.092  -4.671
  361   3HZ   LYS  45           HZ2      LYS  45 -10.686  -4.439  -4.570
  362    H    VAL  46           HN       VAL  46  -2.599  -6.583  -5.363
  363    HA   VAL  46           HA       VAL  46  -2.151  -4.070  -4.030
  364    HB   VAL  46           HB       VAL  46  -0.627  -6.661  -4.130
  365   1HG1  VAL  46          HG11      VAL  46   0.189  -4.146  -2.672
  366   2HG1  VAL  46          HG12      VAL  46   0.888  -5.740  -2.429
  367   3HG1  VAL  46          HG13      VAL  46   1.080  -4.936  -3.976
  368   1HG2  VAL  46          HG22      VAL  46  -2.324  -5.191  -2.143
  369   2HG2  VAL  46          HG23      VAL  46  -2.470  -6.850  -2.717
  370   3HG2  VAL  46          HG21      VAL  46  -1.172  -6.404  -1.611
  371    H    SER  47           HN       SER  47  -0.718  -5.759  -6.823
  372    HA   SER  47           HA       SER  47   1.292  -3.778  -7.307
  373   1HB   SER  47           HB2      SER  47   1.525  -6.054  -8.159
  374   2HB   SER  47           HB3      SER  47   0.094  -5.849  -9.166
  375    HG   SER  47           HG       SER  47   1.181  -4.537 -10.504
  376    H    ARG  48           HN       ARG  48  -2.028  -4.278  -8.432
  377    HA   ARG  48           HA       ARG  48  -2.023  -2.209 -10.393
  378   1HB   ARG  48           HB2      ARG  48  -4.187  -3.730  -8.963
  379   2HB   ARG  48           HB3      ARG  48  -4.590  -2.367 -10.001
  380   1HG   ARG  48           HG2      ARG  48  -3.615  -3.442 -11.914
  381   2HG   ARG  48           HG3      ARG  48  -2.972  -4.742 -10.910
  382   1HD   ARG  48           HD2      ARG  48  -4.921  -5.559 -12.033
  383   2HD   ARG  48           HD3      ARG  48  -5.301  -5.373 -10.322
  384    HE   ARG  48           HE       ARG  48  -6.056  -3.010 -11.629
  385   1HH1  ARG  48          HH12      ARG  48  -6.945  -6.409 -11.578
  386   2HH1  ARG  48          HH11      ARG  48  -8.608  -6.119 -12.005
  387   1HH2  ARG  48          HH22      ARG  48  -8.253  -2.617 -12.185
  388   2HH2  ARG  48          HH21      ARG  48  -9.349  -3.966 -12.354
  389    H    MET  49           HN       MET  49  -2.948  -2.298  -6.960
  390    HA   MET  49           HA       MET  49  -3.823   0.404  -6.829
  391   1HB   MET  49           HB2      MET  49  -3.085  -1.664  -4.798
  392   2HB   MET  49           HB3      MET  49  -3.242   0.009  -4.286
  393   1HG   MET  49           HG2      MET  49  -5.530  -0.002  -5.361
  394   2HG   MET  49           HG3      MET  49  -5.352  -1.746  -5.498
  395   1HE   MET  49           HE1      MET  49  -4.082  -2.869  -3.199
  396   2HE   MET  49           HE2      MET  49  -5.185  -2.924  -1.827
  397   3HE   MET  49           HE3      MET  49  -5.737  -3.433  -3.422
  398    H    LEU  50           HN       LEU  50  -0.645  -1.126  -6.470
  399    HA   LEU  50           HA       LEU  50   0.762   1.098  -5.424
  400   1HB   LEU  50           HB2      LEU  50   1.543  -1.398  -6.886
  401   2HB   LEU  50           HB3      LEU  50   2.730  -0.110  -6.774
  402    HG   LEU  50           HG       LEU  50   1.377  -1.054  -4.285
  403   1HD1  LEU  50          HD13      LEU  50   3.602  -2.473  -5.718
  404   2HD1  LEU  50          HD11      LEU  50   3.267  -2.682  -4.002
  405   3HD1  LEU  50          HD12      LEU  50   2.059  -3.139  -5.196
  406   1HD2  LEU  50          HD21      LEU  50   3.964   0.253  -4.977
  407   2HD2  LEU  50          HD22      LEU  50   2.702   0.778  -3.858
  408   3HD2  LEU  50          HD23      LEU  50   3.743  -0.579  -3.439
  409    H    THR  51           HN       THR  51   0.109   0.061  -8.743
  410    HA   THR  51           HA       THR  51   1.494   2.228 -10.001
  411    HB   THR  51           HB       THR  51  -0.708   0.662 -11.337
  412    HG1  THR  51           HG1      THR  51   0.381  -1.004 -10.481
  413   1HG2  THR  51          HG22      THR  51   1.887   1.863 -12.249
  414   2HG2  THR  51          HG21      THR  51   1.017   0.652 -13.195
  415   3HG2  THR  51          HG23      THR  51   0.250   2.196 -12.826
  416    H    LYS  52           HN       LYS  52  -1.916   1.572  -9.221
  417    HA   LYS  52           HA       LYS  52  -3.081   3.820 -10.424
  418   1HB   LYS  52           HB2      LYS  52  -4.419   1.932  -9.671
  419   2HB   LYS  52           HB3      LYS  52  -3.954   2.219  -8.002
  420   1HG   LYS  52           HG2      LYS  52  -5.250   4.511  -9.298
  421   2HG   LYS  52           HG3      LYS  52  -6.266   3.075  -9.158
  422   1HD   LYS  52           HD2      LYS  52  -5.727   2.973  -6.737
  423   2HD   LYS  52           HD3      LYS  52  -4.825   4.477  -6.905
  424   1HE   LYS  52           HE2      LYS  52  -7.781   4.021  -7.135
  425   2HE   LYS  52           HE3      LYS  52  -6.910   5.151  -6.101
  426   1HZ   LYS  52           HZ3      LYS  52  -6.190   6.216  -8.312
  427   2HZ   LYS  52           HZ2      LYS  52  -7.512   5.367  -8.979
  428   3HZ   LYS  52           HZ1      LYS  52  -7.762   6.505  -7.739
  429    H    PHE  53           HN       PHE  53  -2.128   3.357  -7.005
  430    HA   PHE  53           HA       PHE  53  -2.688   6.078  -6.302
  431   1HB   PHE  53           HB2      PHE  53  -1.298   3.819  -4.837
  432   2HB   PHE  53           HB3      PHE  53  -1.456   5.429  -4.147
  433    HD1  PHE  53           HD1      PHE  53  -4.079   6.323  -4.599
  434    HD2  PHE  53           HD2      PHE  53  -2.768   2.337  -3.904
  435    HE1  PHE  53           HE1      PHE  53  -6.307   5.741  -3.741
  436    HE2  PHE  53           HE2      PHE  53  -4.982   1.749  -3.042
  437    HZ   PHE  53           HZ       PHE  53  -6.767   3.452  -2.971
  438    H    GLY  54           HN       GLY  54   0.097   4.451  -7.584
  439   1HA   GLY  54           HA1      GLY  54   1.998   5.402  -8.501
  440   2HA   GLY  54           HA2      GLY  54   1.456   6.975  -7.938
  441    H    ALA  55           HN       ALA  55   2.484   3.891  -6.468
  442    HA   ALA  55           HA       ALA  55   3.732   5.228  -4.246
  443   1HB   ALA  55           HB2      ALA  55   2.630   2.856  -4.374
  444   2HB   ALA  55           HB3      ALA  55   4.251   2.356  -4.855
  445   3HB   ALA  55           HB1      ALA  55   3.999   3.153  -3.304
  446    H    VAL  56           HN       VAL  56   5.943   5.147  -3.687
  447    HA   VAL  56           HA       VAL  56   7.834   4.753  -5.923
  448    HB   VAL  56           HB       VAL  56   9.097   6.718  -5.200
  449   1HG1  VAL  56          HG11      VAL  56   6.985   6.757  -6.772
  450   2HG1  VAL  56          HG12      VAL  56   6.324   7.767  -5.482
  451   3HG1  VAL  56          HG13      VAL  56   7.803   8.247  -6.309
  452   1HG2  VAL  56          HG22      VAL  56   6.961   6.939  -3.099
  453   2HG2  VAL  56          HG23      VAL  56   8.711   6.976  -2.906
  454   3HG2  VAL  56          HG21      VAL  56   7.878   8.346  -3.634
  455    H    ARG  57           HN       ARG  57   9.783   3.799  -5.404
  456    HA   ARG  57           HA       ARG  57   9.919   2.507  -2.799
  457   1HB   ARG  57           HB2      ARG  57  11.930   2.250  -5.036
  458   2HB   ARG  57           HB3      ARG  57  11.644   1.142  -3.701
  459   1HG   ARG  57           HG2      ARG  57   9.213   1.142  -4.875
  460   2HG   ARG  57           HG3      ARG  57  10.240   1.413  -6.274
  461   1HD   ARG  57           HD2      ARG  57  10.101  -0.932  -4.433
  462   2HD   ARG  57           HD3      ARG  57  10.100  -0.896  -6.195
  463    HE   ARG  57           HE       ARG  57  12.549  -0.038  -5.780
  464   1HH1  ARG  57          HH12      ARG  57  10.850  -2.593  -4.078
  465   2HH1  ARG  57          HH11      ARG  57  12.303  -3.473  -3.683
  466   1HH2  ARG  57          HH22      ARG  57  14.442  -1.189  -5.279
  467   2HH2  ARG  57          HH21      ARG  57  14.340  -2.676  -4.373
  468    H    THR  58           HN       THR  58  11.401   2.919  -1.199
  469    HA   THR  58           HA       THR  58  13.569   4.825  -1.639
  470    HB   THR  58           HB       THR  58  11.573   6.239  -1.205
  471    HG1  THR  58           HG1      THR  58  12.615   7.561   0.133
  472   1HG2  THR  58          HG21      THR  58  10.400   4.597   0.299
  473   2HG2  THR  58          HG23      THR  58  11.497   5.118   1.580
  474   3HG2  THR  58          HG22      THR  58  10.401   6.283   0.830
  475    H    ARG  59           HN       ARG  59  14.953   5.087   0.283
  476    HA   ARG  59           HA       ARG  59  15.287   2.547   1.666
  477   1HB   ARG  59           HB2      ARG  59  17.020   4.692   0.823
  478   2HB   ARG  59           HB3      ARG  59  17.215   4.457   2.552
  479   1HG   ARG  59           HG2      ARG  59  17.381   1.913   1.832
  480   2HG   ARG  59           HG3      ARG  59  17.860   2.628   0.295
  481   1HD   ARG  59           HD2      ARG  59  19.145   3.573   2.821
  482   2HD   ARG  59           HD3      ARG  59  19.656   2.043   2.116
  483    HE   ARG  59           HE       ARG  59  20.028   3.444   0.003
  484   1HH1  ARG  59          HH12      ARG  59  20.491   4.682   3.262
  485   2HH1  ARG  59          HH11      ARG  59  21.687   5.846   2.772
  486   1HH2  ARG  59          HH22      ARG  59  21.570   4.965  -0.619
  487   2HH2  ARG  59          HH21      ARG  59  22.288   6.021   0.565
  488    H    ASN  60           HN       ASN  60  14.655   2.180   3.735
  489    HA   ASN  60           HA       ASN  60  13.436   4.346   5.248
  490   1HB   ASN  60           HB2      ASN  60  12.589   2.667   6.751
  491   2HB   ASN  60           HB3      ASN  60  12.312   2.149   5.098
  492   1HD2  ASN  60          HD22      ASN  60  13.367  -0.860   6.776
  493   2HD2  ASN  60          HD21      ASN  60  12.003   0.196   6.671
  494    H    ALA  61           HN       ALA  61  13.888   3.761   7.866
  495    HA   ALA  61           HA       ALA  61  16.360   4.999   8.383
  496   1HB   ALA  61           HB1      ALA  61  14.402   5.113   9.882
  497   2HB   ALA  61           HB2      ALA  61  14.682   3.431  10.339
  498   3HB   ALA  61           HB3      ALA  61  15.883   4.661  10.724
  499    H    LYS  62           HN       LYS  62  15.610   1.630   7.960
  500    HA   LYS  62           HA       LYS  62  18.160   0.793   9.154
  501   1HB   LYS  62           HB2      LYS  62  15.747  -0.775   8.251
  502   2HB   LYS  62           HB3      LYS  62  17.283  -1.531   8.657
  503   1HG   LYS  62           HG2      LYS  62  15.929  -1.699  10.578
  504   2HG   LYS  62           HG3      LYS  62  17.117  -0.438  10.912
  505   1HD   LYS  62           HD2      LYS  62  15.558   1.228  10.908
  506   2HD   LYS  62           HD3      LYS  62  14.505   0.399   9.762
  507   1HE   LYS  62           HE2      LYS  62  14.901  -0.674  12.536
  508   2HE   LYS  62           HE3      LYS  62  13.756   0.629  12.231
  509   1HZ   LYS  62           HZ3      LYS  62  13.606  -1.788  10.561
  510   2HZ   LYS  62           HZ2      LYS  62  12.991  -1.842  12.154
  511   3HZ   LYS  62           HZ1      LYS  62  12.377  -0.712  11.041
  512    H    MET  63           HN       MET  63  17.623   2.145   6.412
  513    HA   MET  63           HA       MET  63  18.632   2.165   4.393
  514   1HB   MET  63           HB2      MET  63  20.423  -0.143   4.998
  515   2HB   MET  63           HB3      MET  63  20.786   1.395   4.248
  516   1HG   MET  63           HG2      MET  63  20.405   2.388   6.587
  517   2HG   MET  63           HG3      MET  63  20.595   0.725   7.133
  518   1HE   MET  63           HE2      MET  63  22.621   0.291   8.277
  519   2HE   MET  63           HE3      MET  63  22.940  -0.688   6.846
  520   3HE   MET  63           HE1      MET  63  24.215   0.319   7.528
  521    H    GLU  64           HN       GLU  64  16.375   0.221   4.965
  522    HA   GLU  64           HA       GLU  64  16.838  -1.833   2.915
  523   1HB   GLU  64           HB2      GLU  64  14.506  -1.452   4.814
  524   2HB   GLU  64           HB3      GLU  64  14.708  -2.799   3.706
  525   1HG   GLU  64           HG2      GLU  64  16.846  -2.242   5.719
  526   2HG   GLU  64           HG3      GLU  64  15.352  -3.003   6.249
  527    H    MET  65           HN       MET  65  15.924  -1.716   0.926
  528    HA   MET  65           HA       MET  65  14.547   0.677   0.125
  529   1HB   MET  65           HB2      MET  65  15.300  -1.859  -1.325
  530   2HB   MET  65           HB3      MET  65  14.372  -0.578  -2.093
  531   1HG   MET  65           HG2      MET  65  17.143  -0.340  -0.943
  532   2HG   MET  65           HG3      MET  65  16.702  -0.394  -2.642
  533   1HE   MET  65           HE3      MET  65  15.656   1.563  -3.987
  534   2HE   MET  65           HE1      MET  65  14.227   1.449  -2.962
  535   3HE   MET  65           HE2      MET  65  14.983   3.018  -3.251
  536    H    VAL  66           HN       VAL  66  12.543   0.932   0.797
  537    HA   VAL  66           HA       VAL  66  10.625  -1.288   0.493
  538    HB   VAL  66           HB       VAL  66   9.340  -0.345   2.398
  539   1HG1  VAL  66          HG11      VAL  66  10.837  -2.248   2.717
  540   2HG1  VAL  66          HG12      VAL  66  12.184  -1.151   3.032
  541   3HG1  VAL  66          HG13      VAL  66  10.819  -1.211   4.145
  542   1HG2  VAL  66          HG23      VAL  66  11.758   1.446   2.688
  543   2HG2  VAL  66          HG21      VAL  66  10.082   1.938   2.444
  544   3HG2  VAL  66          HG22      VAL  66  10.567   1.179   3.959
  545    H    TYR  67           HN       TYR  67   8.368  -0.586   0.329
  546    HA   TYR  67           HA       TYR  67   8.045   1.397  -1.746
  547   1HB   TYR  67           HB2      TYR  67   6.318  -0.678  -0.446
  548   2HB   TYR  67           HB3      TYR  67   5.517   0.677  -1.221
  549    HD1  TYR  67           HD1      TYR  67   7.164   1.139  -3.599
  550    HD2  TYR  67           HD2      TYR  67   5.865  -2.498  -1.812
  551    HE1  TYR  67           HE1      TYR  67   7.303   0.036  -5.779
  552    HE2  TYR  67           HE2      TYR  67   5.986  -3.630  -3.989
  553    HH   TYR  67           HH       TYR  67   6.480  -1.858  -6.944
  554    H    CYS  68           HN       CYS  68   7.152   3.384  -1.537
  555    HA   CYS  68           HA       CYS  68   5.837   4.149   0.962
  556   1HB   CYS  68           HB2      CYS  68   8.278   4.829   1.048
  557   2HB   CYS  68           HB3      CYS  68   7.952   5.916  -0.293
  558    HG   CYS  68           HG       CYS  68   7.740   6.854   2.343
  559    H    LEU  69           HN       LEU  69   4.975   6.489   0.649
  560    HA   LEU  69           HA       LEU  69   3.831   6.706  -2.063
  561   1HB   LEU  69           HB2      LEU  69   2.395   5.875   0.047
  562   2HB   LEU  69           HB3      LEU  69   2.225   7.602   0.268
  563    HG   LEU  69           HG       LEU  69   1.317   7.777  -2.027
  564   1HD1  LEU  69          HD12      LEU  69   2.235   5.050  -2.165
  565   2HD1  LEU  69          HD13      LEU  69   0.509   5.134  -2.509
  566   3HD1  LEU  69          HD11      LEU  69   1.642   6.097  -3.454
  567   1HD2  LEU  69          HD21      LEU  69   0.052   7.143   0.241
  568   2HD2  LEU  69          HD22      LEU  69  -0.778   7.367  -1.299
  569   3HD2  LEU  69          HD23      LEU  69  -0.377   5.745  -0.737
  570    HA   PRO  70           HA       PRO  70   5.413  10.863  -1.752
  571   1HB   PRO  70           HB2      PRO  70   4.169  11.947  -3.901
  572   2HB   PRO  70           HB3      PRO  70   5.551  10.851  -4.036
  573   1HG   PRO  70           HG2      PRO  70   2.632  10.234  -4.319
  574   2HG   PRO  70           HG3      PRO  70   3.983   9.716  -5.341
  575   1HD   PRO  70           HD2      PRO  70   2.897   8.115  -3.462
  576   2HD   PRO  70           HD3      PRO  70   4.625   8.058  -3.859
  577    H    ALA  71           HN       ALA  71   4.688  12.980  -1.289
  578    HA   ALA  71           HA       ALA  71   2.407  13.132   0.372
  579   1HB   ALA  71           HB2      ALA  71   4.180  15.310  -0.724
  580   2HB   ALA  71           HB3      ALA  71   3.012  15.514   0.587
  581   3HB   ALA  71           HB1      ALA  71   4.398  14.442   0.795
  582    H    GLU  72           HN       GLU  72   0.384  13.115  -0.390
  583    HA   GLU  72           HA       GLU  72  -1.504  13.592  -1.535
  584   1HB   GLU  72           HB2      GLU  72  -0.080  16.254  -1.613
  585   2HB   GLU  72           HB3      GLU  72  -1.709  16.047  -2.223
  586   1HG   GLU  72           HG2      GLU  72  -1.993  16.864  -0.063
  587   2HG   GLU  72           HG3      GLU  72  -2.312  15.137   0.068
  588    H    LEU  73           HN       LEU  73  -0.795  12.053  -3.233
  589    HA   LEU  73           HA       LEU  73  -0.308  13.387  -5.829
  590   1HB   LEU  73           HB2      LEU  73   1.395  11.707  -5.194
  591   2HB   LEU  73           HB3      LEU  73   0.143  10.484  -5.109
  592    HG   LEU  73           HG       LEU  73  -0.302  10.983  -7.588
  593   1HD1  LEU  73          HD13      LEU  73   0.869  13.131  -7.679
  594   2HD1  LEU  73          HD11      LEU  73   2.395  12.309  -7.354
  595   3HD1  LEU  73          HD12      LEU  73   1.518  11.981  -8.846
  596   1HD2  LEU  73          HD21      LEU  73   1.244   9.129  -6.421
  597   2HD2  LEU  73          HD22      LEU  73   1.031   9.259  -8.168
  598   3HD2  LEU  73          HD23      LEU  73   2.459   9.952  -7.398
  599    H    GLY  74           HN       GLY  74  -2.358  13.915  -6.414
  600   1HA   GLY  74           HA1      GLY  74  -4.207  13.140  -7.781
  601   2HA   GLY  74           HA2      GLY  74  -4.275  11.686  -6.801
  602    H    VAL  75           HN       VAL  75  -5.052  15.083  -6.972
  603    HA   VAL  75           HA       VAL  75  -6.657  16.336  -5.967
  604    HB   VAL  75           HB       VAL  75  -7.570  13.995  -4.330
  605   1HG1  VAL  75          HG22      VAL  75  -8.738  16.613  -5.171
  606   2HG1  VAL  75          HG23      VAL  75  -9.800  15.249  -4.821
  607   3HG1  VAL  75          HG21      VAL  75  -8.706  15.857  -3.576
  608   1HG2  VAL  75          HG13      VAL  75  -7.867  14.462  -7.243
  609   2HG2  VAL  75          HG11      VAL  75  -7.819  12.949  -6.337
  610   3HG2  VAL  75          HG12      VAL  75  -9.292  13.914  -6.364
  611    HA   PRO  76           HA       PRO  76  -3.796  16.977  -2.447
  612   1HB   PRO  76           HB2      PRO  76  -4.257  19.822  -3.012
  613   2HB   PRO  76           HB3      PRO  76  -2.752  18.900  -3.041
  614   1HG   PRO  76           HG2      PRO  76  -3.937  19.825  -5.288
  615   2HG   PRO  76           HG3      PRO  76  -2.991  18.327  -5.255
  616   1HD   PRO  76           HD2      PRO  76  -5.968  18.694  -5.214
  617   2HD   PRO  76           HD3      PRO  76  -4.994  17.496  -6.096
  618    H    THR  77           HN       THR  77  -4.662  16.747  -0.498
  619    HA   THR  77           HA       THR  77  -6.218  18.748   0.763
  620    HB   THR  77           HB       THR  77  -8.016  17.696  -0.632
  621    HG1  THR  77           HG1      THR  77  -8.982  18.467   1.099
  622   1HG2  THR  77          HG23      THR  77  -7.129  15.353  -0.641
  623   2HG2  THR  77          HG22      THR  77  -7.700  15.197   1.021
  624   3HG2  THR  77          HG21      THR  77  -8.847  15.500  -0.285
  625    H    THR  78           HN       THR  78  -7.358  17.223   2.815
  626    HA   THR  78           HA       THR  78  -4.950  16.229   4.153
  627    HB   THR  78           HB       THR  78  -6.476  16.250   6.200
  628    HG1  THR  78           HG1      THR  78  -8.477  16.752   5.935
  629   1HG2  THR  78          HG21      THR  78  -4.857  18.090   5.587
  630   2HG2  THR  78          HG23      THR  78  -6.246  18.961   4.938
  631   3HG2  THR  78          HG22      THR  78  -6.194  18.529   6.647
   
  No H/Q in entry =         631
  Start of MODEL   11
    1   1H    MET   1           HT3      MET   1 -26.303   2.091  -4.242
    2   2H    MET   1           HT2      MET   1 -27.465   3.229  -3.676
    3   3H    MET   1           HT1      MET   1 -26.927   3.284  -5.315
    4    HA   MET   1           HA       MET   1 -24.876   4.054  -4.767
    5   1HB   MET   1           HB2      MET   1 -26.816   5.311  -2.800
    6   2HB   MET   1           HB3      MET   1 -25.340   6.050  -3.399
    7   1HG   MET   1           HG2      MET   1 -26.923   7.069  -4.704
    8   2HG   MET   1           HG3      MET   1 -26.436   5.728  -5.736
    9   1HE   MET   1           HE1      MET   1 -28.652   6.864  -6.794
   10   2HE   MET   1           HE2      MET   1 -28.724   5.163  -7.254
   11   3HE   MET   1           HE3      MET   1 -30.168   5.971  -6.637
   12    H    ARG   2           HN       ARG   2 -23.112   4.276  -3.337
   13    HA   ARG   2           HA       ARG   2 -23.283   3.452  -0.588
   14   1HB   ARG   2           HB2      ARG   2 -21.579   1.553  -0.932
   15   2HB   ARG   2           HB3      ARG   2 -23.257   1.229  -1.328
   16   1HG   ARG   2           HG2      ARG   2 -22.820   0.901  -3.507
   17   2HG   ARG   2           HG3      ARG   2 -21.654   2.220  -3.586
   18   1HD   ARG   2           HD2      ARG   2 -21.118  -0.496  -2.374
   19   2HD   ARG   2           HD3      ARG   2 -20.648  -0.002  -4.001
   20    HE   ARG   2           HE       ARG   2 -19.653   1.834  -2.066
   21   1HH1  ARG   2          HH12      ARG   2 -19.094  -1.385  -3.346
   22   2HH1  ARG   2          HH11      ARG   2 -17.399  -1.371  -2.948
   23   1HH2  ARG   2          HH22      ARG   2 -17.420   1.825  -1.544
   24   2HH2  ARG   2          HH21      ARG   2 -16.454   0.424  -1.942
   25    H    SER   3           HN       SER   3 -22.426   5.655  -0.569
   26    HA   SER   3           HA       SER   3 -19.819   6.244  -1.602
   27   1HB   SER   3           HB2      SER   3 -21.408   7.700   0.538
   28   2HB   SER   3           HB3      SER   3 -20.008   8.337  -0.327
   29    HG   SER   3           HG       SER   3 -21.619   9.119  -1.510
   30    H    SER   4           HN       SER   4 -21.033   5.674   1.705
   31    HA   SER   4           HA       SER   4 -18.356   4.695   2.467
   32   1HB   SER   4           HB2      SER   4 -20.092   6.468   4.222
   33   2HB   SER   4           HB3      SER   4 -18.498   5.833   4.621
   34    HG   SER   4           HG       SER   4 -18.961   8.127   3.558
   35    H    ALA   5           HN       ALA   5 -18.671   2.575   2.879
   36    HA   ALA   5           HA       ALA   5 -20.349   1.689   4.963
   37   1HB   ALA   5           HB2      ALA   5 -21.441   1.336   2.186
   38   2HB   ALA   5           HB3      ALA   5 -21.861   0.222   3.486
   39   3HB   ALA   5           HB1      ALA   5 -22.255   1.929   3.631
   40    H    LYS   6           HN       LYS   6 -19.283   0.332   1.808
   41    HA   LYS   6           HA       LYS   6 -18.091  -1.915   3.309
   42   1HB   LYS   6           HB2      LYS   6 -19.257  -1.877   0.515
   43   2HB   LYS   6           HB3      LYS   6 -18.496  -3.271   1.278
   44   1HG   LYS   6           HG2      LYS   6 -20.212  -3.086   3.100
   45   2HG   LYS   6           HG3      LYS   6 -21.042  -1.892   2.100
   46   1HD   LYS   6           HD2      LYS   6 -22.072  -3.529   1.006
   47   2HD   LYS   6           HD3      LYS   6 -20.511  -4.106   0.427
   48   1HE   LYS   6           HE2      LYS   6 -21.935  -5.810   1.618
   49   2HE   LYS   6           HE3      LYS   6 -20.292  -5.630   2.224
   50   1HZ   LYS   6           HZ2      LYS   6 -22.014  -3.865   3.607
   51   2HZ   LYS   6           HZ1      LYS   6 -22.666  -5.438   3.663
   52   3HZ   LYS   6           HZ3      LYS   6 -21.078  -5.151   4.222
   53    H    GLN   7           HN       GLN   7 -16.074  -2.179   3.295
   54    HA   GLN   7           HA       GLN   7 -13.878  -2.006   2.951
   55   1HB   GLN   7           HB2      GLN   7 -15.113  -3.080   0.539
   56   2HB   GLN   7           HB3      GLN   7 -13.498  -2.441   0.254
   57   1HG   GLN   7           HG2      GLN   7 -12.880  -3.776   2.392
   58   2HG   GLN   7           HG3      GLN   7 -14.370  -4.659   2.064
   59   1HE2  GLN   7          HE22      GLN   7 -11.509  -6.412   0.486
   60   2HE2  GLN   7          HE21      GLN   7 -11.894  -5.885   2.088
   61    H    GLU   8           HN       GLU   8 -15.280   0.632   2.600
   62    HA   GLU   8           HA       GLU   8 -13.509   2.075   0.794
   63   1HB   GLU   8           HB2      GLU   8 -14.610   4.096   1.875
   64   2HB   GLU   8           HB3      GLU   8 -15.668   3.025   0.976
   65   1HG   GLU   8           HG2      GLU   8 -16.970   2.742   2.739
   66   2HG   GLU   8           HG3      GLU   8 -15.616   2.152   3.695
   67    H    GLU   9           HN       GLU   9 -12.275   0.447   2.776
   68    HA   GLU   9           HA       GLU   9 -10.935   2.434   4.507
   69   1HB   GLU   9           HB2      GLU   9 -11.407  -0.487   5.153
   70   2HB   GLU   9           HB3      GLU   9 -10.673   0.721   6.202
   71   1HG   GLU   9           HG2      GLU   9 -12.819   1.957   6.205
   72   2HG   GLU   9           HG3      GLU   9 -13.532   0.652   5.260
   73    H    LEU  10           HN       LEU  10 -10.678  -0.458   2.535
   74    HA   LEU  10           HA       LEU  10  -8.020  -1.134   2.847
   75   1HB   LEU  10           HB2      LEU  10  -9.884  -2.246   1.444
   76   2HB   LEU  10           HB3      LEU  10  -9.359  -1.198   0.150
   77    HG   LEU  10           HG       LEU  10  -8.447  -3.728   0.610
   78   1HD1  LEU  10          HD13      LEU  10  -8.287  -2.390  -1.447
   79   2HD1  LEU  10          HD11      LEU  10  -6.884  -1.570  -0.766
   80   3HD1  LEU  10          HD12      LEU  10  -6.825  -3.302  -1.086
   81   1HD2  LEU  10          HD22      LEU  10  -7.219  -2.937   2.633
   82   2HD2  LEU  10          HD23      LEU  10  -6.244  -3.740   1.417
   83   3HD2  LEU  10          HD21      LEU  10  -6.200  -1.989   1.553
   84    H    VAL  11           HN       VAL  11  -9.394   1.490   0.982
   85    HA   VAL  11           HA       VAL  11  -7.017   2.172  -0.445
   86    HB   VAL  11           HB       VAL  11  -9.166   4.179   0.267
   87   1HG1  VAL  11          HG11      VAL  11  -6.962   4.261  -1.423
   88   2HG1  VAL  11          HG12      VAL  11  -8.342   4.025  -2.496
   89   3HG1  VAL  11          HG13      VAL  11  -8.316   5.386  -1.387
   90   1HG2  VAL  11          HG22      VAL  11  -9.443   1.801  -1.536
   91   2HG2  VAL  11          HG23      VAL  11 -10.569   2.421  -0.328
   92   3HG2  VAL  11          HG21      VAL  11 -10.343   3.285  -1.848
   93    H    LYS  12           HN       LYS  12  -8.401   3.346   2.656
   94    HA   LYS  12           HA       LYS  12  -6.350   5.290   3.087
   95   1HB   LYS  12           HB2      LYS  12  -8.240   4.064   5.089
   96   2HB   LYS  12           HB3      LYS  12  -7.192   5.442   5.385
   97   1HG   LYS  12           HG2      LYS  12  -8.969   6.672   4.818
   98   2HG   LYS  12           HG3      LYS  12  -8.530   6.265   3.157
   99   1HD   LYS  12           HD2      LYS  12 -10.657   5.506   3.060
  100   2HD   LYS  12           HD3      LYS  12  -9.945   4.089   3.822
  101   1HE   LYS  12           HE2      LYS  12 -11.753   4.513   5.226
  102   2HE   LYS  12           HE3      LYS  12 -10.460   5.386   6.044
  103   1HZ   LYS  12           HZ2      LYS  12 -11.205   7.430   4.967
  104   2HZ   LYS  12           HZ1      LYS  12 -12.468   6.583   4.199
  105   3HZ   LYS  12           HZ3      LYS  12 -12.458   6.732   5.891
  106    H    ALA  13           HN       ALA  13  -6.907   1.968   4.106
  107    HA   ALA  13           HA       ALA  13  -4.670   1.685   5.820
  108   1HB   ALA  13           HB1      ALA  13  -6.163  -0.424   4.256
  109   2HB   ALA  13           HB2      ALA  13  -5.013  -0.733   5.556
  110   3HB   ALA  13           HB3      ALA  13  -6.520   0.114   5.898
  111    H    PHE  14           HN       PHE  14  -5.141   1.003   2.354
  112    HA   PHE  14           HA       PHE  14  -2.653  -0.105   1.771
  113   1HB   PHE  14           HB2      PHE  14  -4.666   0.046   0.197
  114   2HB   PHE  14           HB3      PHE  14  -4.163   1.692  -0.159
  115    HD1  PHE  14           HD2      PHE  14  -3.261  -1.865  -0.411
  116    HD2  PHE  14           HD1      PHE  14  -2.227   2.111  -1.533
  117    HE1  PHE  14           HE2      PHE  14  -1.674  -2.748  -2.055
  118    HE2  PHE  14           HE1      PHE  14  -0.629   1.217  -3.190
  119    HZ   PHE  14           HZ       PHE  14  -0.365  -1.211  -3.440
  120    H    LYS  15           HN       LYS  15  -3.608   3.346   1.550
  121    HA   LYS  15           HA       LYS  15  -1.101   4.348   0.801
  122   1HB   LYS  15           HB2      LYS  15  -3.507   5.545   2.073
  123   2HB   LYS  15           HB3      LYS  15  -2.014   6.475   2.072
  124   1HG   LYS  15           HG2      LYS  15  -2.317   7.073  -0.029
  125   2HG   LYS  15           HG3      LYS  15  -2.422   5.391  -0.537
  126   1HD   LYS  15           HD2      LYS  15  -4.636   5.406  -0.692
  127   2HD   LYS  15           HD3      LYS  15  -4.842   6.298   0.807
  128   1HE   LYS  15           HE2      LYS  15  -4.815   7.266  -1.975
  129   2HE   LYS  15           HE3      LYS  15  -5.672   7.898  -0.570
  130   1HZ   LYS  15           HZ1      LYS  15  -3.291   8.669   0.129
  131   2HZ   LYS  15           HZ3      LYS  15  -2.982   8.548  -1.541
  132   3HZ   LYS  15           HZ2      LYS  15  -4.212   9.577  -0.984
  133    H    ALA  16           HN       ALA  16  -2.523   3.901   4.011
  134    HA   ALA  16           HA       ALA  16  -0.528   5.073   5.570
  135   1HB   ALA  16           HB2      ALA  16  -2.718   4.523   6.466
  136   2HB   ALA  16           HB3      ALA  16  -2.377   2.802   6.304
  137   3HB   ALA  16           HB1      ALA  16  -1.452   3.783   7.441
  138    H    LEU  17           HN       LEU  17  -0.892   1.663   4.578
  139    HA   LEU  17           HA       LEU  17   1.311   0.585   5.923
  140   1HB   LEU  17           HB2      LEU  17   0.052  -0.180   3.282
  141   2HB   LEU  17           HB3      LEU  17   1.304  -1.129   4.052
  142    HG   LEU  17           HG       LEU  17  -1.545  -0.751   4.870
  143   1HD1  LEU  17          HD12      LEU  17   0.289  -3.111   4.539
  144   2HD1  LEU  17          HD13      LEU  17  -1.356  -3.213   5.166
  145   3HD1  LEU  17          HD11      LEU  17  -1.076  -2.655   3.518
  146   1HD2  LEU  17          HD22      LEU  17   0.742  -1.442   6.690
  147   2HD2  LEU  17          HD23      LEU  17  -0.525  -0.236   6.927
  148   3HD2  LEU  17          HD21      LEU  17  -0.914  -1.954   7.013
  149    H    LEU  18           HN       LEU  18   1.123   1.943   2.645
  150    HA   LEU  18           HA       LEU  18   3.852   1.524   1.991
  151   1HB   LEU  18           HB2      LEU  18   1.980   3.631   0.899
  152   2HB   LEU  18           HB3      LEU  18   3.487   3.118   0.165
  153    HG   LEU  18           HG       LEU  18   1.240   1.178   0.607
  154   1HD1  LEU  18          HD11      LEU  18   1.431   3.374  -1.323
  155   2HD1  LEU  18          HD12      LEU  18   1.081   1.791  -2.018
  156   3HD1  LEU  18          HD13      LEU  18   0.029   2.460  -0.770
  157   1HD2  LEU  18          HD23      LEU  18   3.530   0.341   0.097
  158   2HD2  LEU  18          HD21      LEU  18   2.316  -0.084  -1.111
  159   3HD2  LEU  18          HD22      LEU  18   3.447   1.228  -1.427
  160    H    LYS  19           HN       LYS  19   2.168   4.486   3.039
  161    HA   LYS  19           HA       LYS  19   4.415   6.150   3.078
  162   1HB   LYS  19           HB2      LYS  19   1.853   6.367   4.659
  163   2HB   LYS  19           HB3      LYS  19   3.041   7.653   4.486
  164   1HG   LYS  19           HG2      LYS  19   2.629   7.875   2.163
  165   2HG   LYS  19           HG3      LYS  19   1.709   6.370   2.108
  166   1HD   LYS  19           HD2      LYS  19  -0.094   7.699   2.249
  167   2HD   LYS  19           HD3      LYS  19   0.301   7.772   3.964
  168   1HE   LYS  19           HE2      LYS  19   1.125   9.759   1.844
  169   2HE   LYS  19           HE3      LYS  19  -0.100  10.003   3.087
  170   1HZ   LYS  19           HZ3      LYS  19   1.978   9.373   4.606
  171   2HZ   LYS  19           HZ2      LYS  19   2.804  10.082   3.292
  172   3HZ   LYS  19           HZ1      LYS  19   1.624  10.969   4.142
  173    H    GLU  20           HN       GLU  20   3.468   3.732   5.372
  174    HA   GLU  20           HA       GLU  20   4.915   4.765   7.634
  175   1HB   GLU  20           HB2      GLU  20   3.793   2.038   6.974
  176   2HB   GLU  20           HB3      GLU  20   4.692   2.352   8.452
  177   1HG   GLU  20           HG2      GLU  20   2.461   4.198   7.874
  178   2HG   GLU  20           HG3      GLU  20   2.011   2.533   8.241
  179    H    GLU  21           HN       GLU  21   5.740   3.051   4.765
  180    HA   GLU  21           HA       GLU  21   7.668   2.300   3.865
  181   1HB   GLU  21           HB2      GLU  21   9.058   3.777   6.113
  182   2HB   GLU  21           HB3      GLU  21   9.762   3.284   4.583
  183   1HG   GLU  21           HG2      GLU  21   8.685   4.930   3.383
  184   2HG   GLU  21           HG3      GLU  21   7.416   5.131   4.584
  185    H    LYS  22           HN       LYS  22   6.621   0.246   4.964
  186    HA   LYS  22           HA       LYS  22   8.829  -1.161   6.281
  187   1HB   LYS  22           HB2      LYS  22   7.324  -2.218   7.918
  188   2HB   LYS  22           HB3      LYS  22   7.410  -0.477   8.134
  189   1HG   LYS  22           HG2      LYS  22   5.251  -0.376   6.769
  190   2HG   LYS  22           HG3      LYS  22   5.163  -2.117   7.040
  191   1HD   LYS  22           HD2      LYS  22   5.718  -0.634   9.489
  192   2HD   LYS  22           HD3      LYS  22   4.203  -0.143   8.727
  193   1HE   LYS  22           HE2      LYS  22   3.814  -1.937  10.321
  194   2HE   LYS  22           HE3      LYS  22   3.464  -2.476   8.682
  195   1HZ   LYS  22           HZ2      LYS  22   6.124  -2.984   9.870
  196   2HZ   LYS  22           HZ1      LYS  22   4.807  -3.992  10.251
  197   3HZ   LYS  22           HZ3      LYS  22   5.315  -3.837   8.636
  198    H    PHE  23           HN       PHE  23   7.553  -1.183   3.561
  199    HA   PHE  23           HA       PHE  23   7.276  -4.098   3.383
  200   1HB   PHE  23           HB2      PHE  23   5.376  -2.237   1.943
  201   2HB   PHE  23           HB3      PHE  23   5.384  -3.995   1.893
  202    HD1  PHE  23           HD1      PHE  23   4.771  -5.296   3.903
  203    HD2  PHE  23           HD2      PHE  23   4.330  -1.073   3.761
  204    HE1  PHE  23           HE1      PHE  23   3.293  -5.394   5.863
  205    HE2  PHE  23           HE2      PHE  23   2.856  -1.161   5.726
  206    HZ   PHE  23           HZ       PHE  23   2.325  -3.324   6.777
  207    H    SER  24           HN       SER  24   8.790  -4.725   2.084
  208    HA   SER  24           HA       SER  24   9.846  -2.910   0.049
  209   1HB   SER  24           HB2      SER  24  11.855  -4.205   0.114
  210   2HB   SER  24           HB3      SER  24  11.341  -4.000   1.779
  211    HG   SER  24           HG       SER  24  10.530  -6.085   1.794
  212    H    SER  25           HN       SER  25   7.459  -5.046  -0.017
  213    HA   SER  25           HA       SER  25   7.671  -5.444  -2.856
  214   1HB   SER  25           HB2      SER  25   7.266  -7.992  -2.578
  215   2HB   SER  25           HB3      SER  25   8.907  -7.397  -2.374
  216    HG   SER  25           HG       SER  25   7.483  -8.808  -0.664
  217    H    GLN  26           HN       GLN  26   5.689  -6.479  -3.730
  218    HA   GLN  26           HA       GLN  26   3.323  -5.340  -2.626
  219   1HB   GLN  26           HB2      GLN  26   3.513  -7.541  -4.686
  220   2HB   GLN  26           HB3      GLN  26   2.189  -6.449  -4.424
  221   1HG   GLN  26           HG2      GLN  26   3.042  -5.271  -6.100
  222   2HG   GLN  26           HG3      GLN  26   4.192  -4.689  -4.904
  223   1HE2  GLN  26          HE22      GLN  26   5.711  -6.238  -8.075
  224   2HE2  GLN  26          HE21      GLN  26   4.256  -5.321  -7.889
  225    H    GLY  27           HN       GLY  27   4.343  -8.745  -2.981
  226   1HA   GLY  27           HA1      GLY  27   2.350 -10.092  -1.672
  227   2HA   GLY  27           HA2      GLY  27   4.027 -10.591  -1.631
  228    H    GLU  28           HN       GLU  28   4.926  -8.261  -0.093
  229    HA   GLU  28           HA       GLU  28   4.499  -9.248   2.534
  230   1HB   GLU  28           HB2      GLU  28   6.544  -8.010   1.656
  231   2HB   GLU  28           HB3      GLU  28   5.612  -6.529   1.809
  232   1HG   GLU  28           HG2      GLU  28   6.731  -6.509   3.798
  233   2HG   GLU  28           HG3      GLU  28   5.274  -7.371   4.280
  234    H    ILE  29           HN       ILE  29   3.284  -6.340   0.840
  235    HA   ILE  29           HA       ILE  29   1.698  -5.512   3.100
  236    HB   ILE  29           HB       ILE  29   1.987  -3.574   2.105
  237   1HG1  ILE  29          HG12      ILE  29  -0.004  -4.459   0.014
  238   2HG1  ILE  29          HG13      ILE  29  -0.412  -3.840   1.613
  239   1HG2  ILE  29          HG22      ILE  29   3.678  -4.493   0.601
  240   2HG2  ILE  29          HG23      ILE  29   2.419  -4.865  -0.574
  241   3HG2  ILE  29          HG21      ILE  29   2.762  -3.193  -0.151
  242   1HD1  ILE  29          HD13      ILE  29   1.205  -1.870   0.695
  243   2HD1  ILE  29          HD11      ILE  29   0.442  -2.414  -0.804
  244   3HD1  ILE  29          HD12      ILE  29  -0.554  -1.876   0.551
  245    H    VAL  30           HN       VAL  30   1.237  -7.625   0.416
  246    HA   VAL  30           HA       VAL  30  -1.590  -7.699   0.274
  247    HB   VAL  30           HB       VAL  30   0.444  -9.884  -0.272
  248   1HG1  VAL  30          HG12      VAL  30  -2.508  -9.800  -0.794
  249   2HG1  VAL  30          HG13      VAL  30  -1.418 -10.865  -1.669
  250   3HG1  VAL  30          HG11      VAL  30  -1.589 -11.023   0.076
  251   1HG2  VAL  30          HG23      VAL  30   0.211  -7.629  -1.682
  252   2HG2  VAL  30          HG21      VAL  30   0.595  -9.175  -2.423
  253   3HG2  VAL  30          HG22      VAL  30  -1.055  -8.573  -2.454
  254    H    ALA  31           HN       ALA  31   0.710  -9.791   2.021
  255    HA   ALA  31           HA       ALA  31  -1.207 -11.255   3.492
  256   1HB   ALA  31           HB3      ALA  31   1.070 -12.063   3.143
  257   2HB   ALA  31           HB1      ALA  31   1.702 -10.753   4.141
  258   3HB   ALA  31           HB2      ALA  31   0.680 -11.999   4.860
  259    H    ALA  32           HN       ALA  32   0.521  -8.234   4.177
  260    HA   ALA  32           HA       ALA  32  -0.092  -7.959   6.897
  261   1HB   ALA  32           HB1      ALA  32   1.497  -6.557   5.467
  262   2HB   ALA  32           HB2      ALA  32   0.077  -5.600   5.043
  263   3HB   ALA  32           HB3      ALA  32   0.585  -5.728   6.728
  264    H    LEU  33           HN       LEU  33  -1.898  -6.679   4.072
  265    HA   LEU  33           HA       LEU  33  -3.994  -5.557   5.634
  266   1HB   LEU  33           HB2      LEU  33  -4.068  -6.373   2.727
  267   2HB   LEU  33           HB3      LEU  33  -5.239  -5.340   3.541
  268    HG   LEU  33           HG       LEU  33  -2.358  -4.523   3.550
  269   1HD1  LEU  33          HD12      LEU  33  -4.230  -4.212   1.215
  270   2HD1  LEU  33          HD13      LEU  33  -2.740  -3.299   1.436
  271   3HD1  LEU  33          HD11      LEU  33  -2.680  -5.050   1.238
  272   1HD2  LEU  33          HD22      LEU  33  -5.007  -3.098   3.577
  273   2HD2  LEU  33          HD23      LEU  33  -3.816  -3.196   4.872
  274   3HD2  LEU  33          HD21      LEU  33  -3.458  -2.273   3.413
  275    H    GLN  34           HN       GLN  34  -3.508  -8.769   4.239
  276    HA   GLN  34           HA       GLN  34  -6.128  -9.749   4.625
  277   1HB   GLN  34           HB2      GLN  34  -3.449 -11.124   4.522
  278   2HB   GLN  34           HB3      GLN  34  -4.938 -12.025   4.785
  279   1HG   GLN  34           HG2      GLN  34  -5.787 -11.450   2.662
  280   2HG   GLN  34           HG3      GLN  34  -4.565 -10.202   2.425
  281   1HE2  GLN  34          HE22      GLN  34  -3.355 -12.866   0.336
  282   2HE2  GLN  34          HE21      GLN  34  -4.549 -11.615   0.351
  283    H    GLU  35           HN       GLU  35  -3.405  -9.402   6.846
  284    HA   GLU  35           HA       GLU  35  -4.612 -10.825   9.030
  285   1HB   GLU  35           HB2      GLU  35  -2.437  -8.719   9.131
  286   2HB   GLU  35           HB3      GLU  35  -2.848  -9.854  10.404
  287   1HG   GLU  35           HG2      GLU  35  -2.323 -11.492   8.243
  288   2HG   GLU  35           HG3      GLU  35  -1.153 -10.186   8.066
  289    H    GLN  36           HN       GLN  36  -4.520  -7.431   7.993
  290    HA   GLN  36           HA       GLN  36  -5.593  -6.231  10.294
  291   1HB   GLN  36           HB2      GLN  36  -5.747  -5.403   7.383
  292   2HB   GLN  36           HB3      GLN  36  -6.290  -4.389   8.707
  293   1HG   GLN  36           HG2      GLN  36  -3.817  -4.908   9.572
  294   2HG   GLN  36           HG3      GLN  36  -3.548  -5.081   7.840
  295   1HE2  GLN  36          HE22      GLN  36  -3.254  -1.515   9.251
  296   2HE2  GLN  36          HE21      GLN  36  -2.852  -3.029   9.980
  297    H    GLY  37           HN       GLY  37  -7.350  -6.876   7.252
  298   1HA   GLY  37           HA1      GLY  37  -9.495  -8.299   8.242
  299   2HA   GLY  37           HA2      GLY  37  -9.910  -6.609   8.504
  300    H    PHE  38           HN       PHE  38  -8.025  -7.823   5.777
  301    HA   PHE  38           HA       PHE  38 -10.284  -7.128   3.994
  302   1HB   PHE  38           HB2      PHE  38  -7.337  -6.730   3.450
  303   2HB   PHE  38           HB3      PHE  38  -8.665  -6.300   2.374
  304    HD1  PHE  38           HD2      PHE  38  -6.901  -5.469   5.472
  305    HD2  PHE  38           HD1      PHE  38 -10.016  -4.335   2.815
  306    HE1  PHE  38           HE2      PHE  38  -7.041  -3.304   6.592
  307    HE2  PHE  38           HE1      PHE  38 -10.172  -2.158   3.950
  308    HZ   PHE  38           HZ       PHE  38  -8.668  -1.645   5.836
  309    H    ASP  39           HN       ASP  39 -11.092  -8.975   3.315
  310    HA   ASP  39           HA       ASP  39  -9.350 -11.262   2.715
  311   1HB   ASP  39           HB2      ASP  39 -11.735 -11.095   4.054
  312   2HB   ASP  39           HB3      ASP  39 -12.251 -11.643   2.471
  313    H    ASN  40           HN       ASN  40  -9.908  -8.830   0.977
  314    HA   ASN  40           HA       ASN  40 -10.339 -10.314  -1.509
  315   1HB   ASN  40           HB2      ASN  40 -12.333  -8.757  -0.701
  316   2HB   ASN  40           HB3      ASN  40 -11.324  -7.476  -1.354
  317   1HD2  ASN  40          HD22      ASN  40 -12.999 -10.241  -3.856
  318   2HD2  ASN  40          HD21      ASN  40 -12.746 -10.603  -2.184
  319    H    ILE  41           HN       ILE  41  -7.900 -10.116  -0.724
  320    HA   ILE  41           HA       ILE  41  -6.698  -7.973  -2.341
  321    HB   ILE  41           HB       ILE  41  -6.463  -8.317   0.569
  322   1HG1  ILE  41          HG12      ILE  41  -7.242  -6.295  -0.834
  323   2HG1  ILE  41          HG13      ILE  41  -6.199  -5.987   0.550
  324   1HG2  ILE  41          HG22      ILE  41  -3.953  -7.994  -1.048
  325   2HG2  ILE  41          HG23      ILE  41  -4.102  -7.474   0.625
  326   3HG2  ILE  41          HG21      ILE  41  -4.303  -9.175   0.218
  327   1HD1  ILE  41          HD12      ILE  41  -4.461  -6.340  -1.601
  328   2HD1  ILE  41          HD13      ILE  41  -5.795  -5.376  -2.229
  329   3HD1  ILE  41          HD11      ILE  41  -4.903  -4.826  -0.816
  330    H    ASN  42           HN       ASN  42  -5.029  -8.601  -3.527
  331    HA   ASN  42           HA       ASN  42  -3.515 -11.014  -2.927
  332   1HB   ASN  42           HB2      ASN  42  -3.843 -11.984  -5.184
  333   2HB   ASN  42           HB3      ASN  42  -5.345 -11.915  -4.280
  334   1HD2  ASN  42          HD22      ASN  42  -6.979  -9.840  -6.547
  335   2HD2  ASN  42          HD21      ASN  42  -7.014 -10.665  -5.021
  336    H    GLN  43           HN       GLN  43  -1.805 -11.288  -4.827
  337    HA   GLN  43           HA       GLN  43  -0.096  -9.100  -4.734
  338   1HB   GLN  43           HB2      GLN  43   0.416 -11.554  -5.319
  339   2HB   GLN  43           HB3      GLN  43   0.005 -11.118  -6.970
  340   1HG   GLN  43           HG2      GLN  43   1.756  -9.324  -6.842
  341   2HG   GLN  43           HG3      GLN  43   2.222  -9.989  -5.276
  342   1HE2  GLN  43          HE22      GLN  43   2.863 -12.324  -8.587
  343   2HE2  GLN  43          HE21      GLN  43   1.464 -11.311  -8.499
  344    H    SER  44           HN       SER  44  -2.286 -10.047  -7.392
  345    HA   SER  44           HA       SER  44  -1.551  -8.019  -9.195
  346   1HB   SER  44           HB2      SER  44  -4.374  -8.984  -9.235
  347   2HB   SER  44           HB3      SER  44  -3.211  -8.832 -10.543
  348    HG   SER  44           HG       SER  44  -3.760 -10.973  -8.915
  349    H    LYS  45           HN       LYS  45  -4.062  -8.099  -6.684
  350    HA   LYS  45           HA       LYS  45  -5.230  -5.578  -7.295
  351   1HB   LYS  45           HB2      LYS  45  -6.093  -7.545  -5.784
  352   2HB   LYS  45           HB3      LYS  45  -5.213  -6.724  -4.507
  353   1HG   LYS  45           HG2      LYS  45  -6.794  -5.154  -4.274
  354   2HG   LYS  45           HG3      LYS  45  -6.959  -4.935  -6.022
  355   1HD   LYS  45           HD2      LYS  45  -8.510  -6.684  -6.217
  356   2HD   LYS  45           HD3      LYS  45  -8.071  -7.367  -4.652
  357   1HE   LYS  45           HE2      LYS  45 -10.188  -6.332  -4.388
  358   2HE   LYS  45           HE3      LYS  45  -9.004  -5.312  -3.574
  359   1HZ   LYS  45           HZ3      LYS  45  -9.251  -4.450  -6.242
  360   2HZ   LYS  45           HZ2      LYS  45 -10.812  -4.595  -5.580
  361   3HZ   LYS  45           HZ1      LYS  45  -9.652  -3.614  -4.812
  362    H    VAL  46           HN       VAL  46  -2.503  -6.553  -5.323
  363    HA   VAL  46           HA       VAL  46  -2.121  -4.011  -4.039
  364    HB   VAL  46           HB       VAL  46  -0.571  -6.581  -4.085
  365   1HG1  VAL  46          HG11      VAL  46   1.115  -4.805  -4.034
  366   2HG1  VAL  46          HG12      VAL  46   0.275  -4.057  -2.672
  367   3HG1  VAL  46          HG13      VAL  46   1.010  -5.644  -2.493
  368   1HG2  VAL  46          HG22      VAL  46  -2.366  -5.109  -2.226
  369   2HG2  VAL  46          HG23      VAL  46  -2.236  -6.836  -2.533
  370   3HG2  VAL  46          HG21      VAL  46  -1.053  -6.028  -1.507
  371    H    SER  47           HN       SER  47  -0.606  -5.698  -6.802
  372    HA   SER  47           HA       SER  47   1.326  -3.666  -7.299
  373   1HB   SER  47           HB2      SER  47   1.421  -4.750  -9.618
  374   2HB   SER  47           HB3      SER  47   1.810  -5.777  -8.243
  375    HG   SER  47           HG       SER  47   0.328  -7.043  -8.984
  376    H    ARG  48           HN       ARG  48  -1.999  -4.169  -8.341
  377    HA   ARG  48           HA       ARG  48  -2.079  -2.099 -10.301
  378   1HB   ARG  48           HB2      ARG  48  -4.165  -3.635  -8.777
  379   2HB   ARG  48           HB3      ARG  48  -4.640  -2.198  -9.675
  380   1HG   ARG  48           HG2      ARG  48  -3.347  -3.357 -11.632
  381   2HG   ARG  48           HG3      ARG  48  -3.638  -4.814 -10.684
  382   1HD   ARG  48           HD2      ARG  48  -5.456  -4.655 -12.183
  383   2HD   ARG  48           HD3      ARG  48  -6.073  -4.136 -10.619
  384    HE   ARG  48           HE       ARG  48  -6.414  -2.030 -11.457
  385   1HH1  ARG  48          HH12      ARG  48  -4.406  -3.842 -13.692
  386   2HH1  ARG  48          HH11      ARG  48  -4.505  -2.646 -14.958
  387   1HH2  ARG  48          HH22      ARG  48  -6.543  -0.450 -13.108
  388   2HH2  ARG  48          HH21      ARG  48  -5.718  -0.721 -14.624
  389    H    MET  49           HN       MET  49  -3.009  -2.224  -6.871
  390    HA   MET  49           HA       MET  49  -3.793   0.453  -6.589
  391   1HB   MET  49           HB2      MET  49  -2.852  -1.621  -4.662
  392   2HB   MET  49           HB3      MET  49  -3.187   0.019  -4.132
  393   1HG   MET  49           HG2      MET  49  -4.986  -2.086  -4.447
  394   2HG   MET  49           HG3      MET  49  -5.330  -0.433  -3.996
  395   1HE   MET  49           HE2      MET  49  -6.431   1.285  -5.388
  396   2HE   MET  49           HE3      MET  49  -7.565   0.773  -6.636
  397   3HE   MET  49           HE1      MET  49  -7.662   0.083  -5.017
  398    H    LEU  50           HN       LEU  50  -0.603  -1.085  -6.294
  399    HA   LEU  50           HA       LEU  50   0.820   1.123  -5.259
  400   1HB   LEU  50           HB2      LEU  50   1.583  -1.360  -6.752
  401   2HB   LEU  50           HB3      LEU  50   2.774  -0.079  -6.614
  402    HG   LEU  50           HG       LEU  50   1.426  -0.951  -4.123
  403   1HD1  LEU  50          HD13      LEU  50   1.934  -3.094  -5.190
  404   2HD1  LEU  50          HD11      LEU  50   3.596  -2.572  -5.441
  405   3HD1  LEU  50          HD12      LEU  50   2.980  -2.807  -3.807
  406   1HD2  LEU  50          HD22      LEU  50   4.084   0.130  -4.897
  407   2HD2  LEU  50          HD23      LEU  50   2.917   0.726  -3.712
  408   3HD2  LEU  50          HD21      LEU  50   3.873  -0.712  -3.363
  409    H    THR  51           HN       THR  51   0.147   0.123  -8.600
  410    HA   THR  51           HA       THR  51   1.588   2.268  -9.829
  411    HB   THR  51           HB       THR  51  -0.673   0.662 -11.058
  412    HG1  THR  51           HG1      THR  51   0.728  -0.863 -10.289
  413   1HG2  THR  51          HG22      THR  51   1.598   2.240 -12.189
  414   2HG2  THR  51          HG21      THR  51   0.940   0.862 -13.069
  415   3HG2  THR  51          HG23      THR  51  -0.103   2.221 -12.656
  416    H    LYS  52           HN       LYS  52  -1.859   1.681  -9.155
  417    HA   LYS  52           HA       LYS  52  -2.938   3.998 -10.262
  418   1HB   LYS  52           HB2      LYS  52  -4.165   1.944  -9.443
  419   2HB   LYS  52           HB3      LYS  52  -3.990   2.566  -7.808
  420   1HG   LYS  52           HG2      LYS  52  -5.098   4.659  -9.343
  421   2HG   LYS  52           HG3      LYS  52  -5.956   3.185  -9.797
  422   1HD   LYS  52           HD2      LYS  52  -6.194   2.741  -7.290
  423   2HD   LYS  52           HD3      LYS  52  -5.675   4.412  -7.056
  424   1HE   LYS  52           HE2      LYS  52  -8.111   4.234  -7.048
  425   2HE   LYS  52           HE3      LYS  52  -7.544   5.195  -8.412
  426   1HZ   LYS  52           HZ2      LYS  52  -7.843   2.375  -8.974
  427   2HZ   LYS  52           HZ1      LYS  52  -9.301   3.165  -8.595
  428   3HZ   LYS  52           HZ3      LYS  52  -8.336   3.728  -9.881
  429    H    PHE  53           HN       PHE  53  -1.812   3.460  -6.927
  430    HA   PHE  53           HA       PHE  53  -2.425   6.183  -6.148
  431   1HB   PHE  53           HB2      PHE  53  -1.127   3.884  -4.664
  432   2HB   PHE  53           HB3      PHE  53  -1.423   5.463  -3.949
  433    HD1  PHE  53           HD1      PHE  53  -4.060   6.226  -4.713
  434    HD2  PHE  53           HD2      PHE  53  -2.576   2.329  -3.858
  435    HE1  PHE  53           HE1      PHE  53  -6.332   5.484  -4.113
  436    HE2  PHE  53           HE2      PHE  53  -4.827   1.591  -3.259
  437    HZ   PHE  53           HZ       PHE  53  -6.711   3.155  -3.396
  438    H    GLY  54           HN       GLY  54   0.038   4.961  -7.949
  439   1HA   GLY  54           HA1      GLY  54   2.053   5.823  -8.622
  440   2HA   GLY  54           HA2      GLY  54   1.605   7.301  -7.792
  441    H    ALA  55           HN       ALA  55   2.196   4.049  -6.456
  442    HA   ALA  55           HA       ALA  55   3.813   5.068  -4.334
  443   1HB   ALA  55           HB3      ALA  55   3.370   2.239  -5.275
  444   2HB   ALA  55           HB1      ALA  55   4.175   2.696  -3.768
  445   3HB   ALA  55           HB2      ALA  55   2.469   3.086  -4.014
  446    H    VAL  56           HN       VAL  56   6.013   4.860  -3.978
  447    HA   VAL  56           HA       VAL  56   7.678   4.182  -6.326
  448    HB   VAL  56           HB       VAL  56   9.175   6.037  -5.735
  449   1HG1  VAL  56          HG13      VAL  56   6.992   6.236  -7.192
  450   2HG1  VAL  56          HG11      VAL  56   6.486   7.317  -5.891
  451   3HG1  VAL  56          HG12      VAL  56   7.953   7.663  -6.804
  452   1HG2  VAL  56          HG23      VAL  56   8.657   6.142  -3.309
  453   2HG2  VAL  56          HG21      VAL  56   8.573   7.714  -4.102
  454   3HG2  VAL  56          HG22      VAL  56   7.089   6.848  -3.706
  455    H    ARG  57           HN       ARG  57   9.758   3.360  -5.911
  456    HA   ARG  57           HA       ARG  57  10.048   2.002  -3.327
  457   1HB   ARG  57           HB2      ARG  57  11.638   1.764  -5.900
  458   2HB   ARG  57           HB3      ARG  57  11.945   0.831  -4.441
  459   1HG   ARG  57           HG2      ARG  57   9.663  -0.117  -4.624
  460   2HG   ARG  57           HG3      ARG  57   9.473   0.732  -6.161
  461   1HD   ARG  57           HD2      ARG  57  10.111  -1.546  -6.588
  462   2HD   ARG  57           HD3      ARG  57  11.432  -0.471  -7.038
  463    HE   ARG  57           HE       ARG  57  11.458  -1.804  -4.402
  464   1HH1  ARG  57          HH12      ARG  57  12.894  -1.411  -7.588
  465   2HH1  ARG  57          HH11      ARG  57  14.337  -2.293  -7.175
  466   1HH2  ARG  57          HH22      ARG  57  13.358  -2.949  -3.876
  467   2HH2  ARG  57          HH21      ARG  57  14.598  -3.162  -5.075
  468    H    THR  58           HN       THR  58  11.039   3.137  -1.779
  469    HA   THR  58           HA       THR  58  13.405   4.750  -2.460
  470    HB   THR  58           HB       THR  58  12.352   6.488  -0.751
  471    HG1  THR  58           HG1      THR  58  10.347   4.811  -1.009
  472   1HG2  THR  58          HG22      THR  58  12.877   6.899  -3.170
  473   2HG2  THR  58          HG21      THR  58  11.214   6.439  -3.527
  474   3HG2  THR  58          HG23      THR  58  11.542   7.837  -2.500
  475    H    ARG  59           HN       ARG  59  14.438   5.639  -0.416
  476    HA   ARG  59           HA       ARG  59  14.901   3.428   1.398
  477   1HB   ARG  59           HB2      ARG  59  16.315   5.849   0.588
  478   2HB   ARG  59           HB3      ARG  59  16.310   5.675   2.335
  479   1HG   ARG  59           HG2      ARG  59  17.096   3.261   1.877
  480   2HG   ARG  59           HG3      ARG  59  17.485   3.868   0.265
  481   1HD   ARG  59           HD2      ARG  59  18.811   5.692   1.379
  482   2HD   ARG  59           HD3      ARG  59  18.572   4.848   2.911
  483    HE   ARG  59           HE       ARG  59  19.641   3.074   0.971
  484   1HH1  ARG  59          HH12      ARG  59  20.523   5.810   2.956
  485   2HH1  ARG  59          HH11      ARG  59  22.209   5.382   3.042
  486   1HH2  ARG  59          HH22      ARG  59  21.866   2.489   1.073
  487   2HH2  ARG  59          HH21      ARG  59  22.973   3.483   1.985
  488    H    ASN  60           HN       ASN  60  14.196   3.276   3.480
  489    HA   ASN  60           HA       ASN  60  12.242   5.225   4.404
  490   1HB   ASN  60           HB2      ASN  60  11.625   3.622   6.083
  491   2HB   ASN  60           HB3      ASN  60  11.804   2.770   4.557
  492   1HD2  ASN  60          HD22      ASN  60  13.355   0.737   7.204
  493   2HD2  ASN  60          HD21      ASN  60  11.783   1.373   6.872
  494    H    ALA  61           HN       ALA  61  12.768   4.639   7.244
  495    HA   ALA  61           HA       ALA  61  14.553   6.812   7.770
  496   1HB   ALA  61           HB3      ALA  61  13.109   4.909   9.607
  497   2HB   ALA  61           HB1      ALA  61  14.108   6.251  10.169
  498   3HB   ALA  61           HB2      ALA  61  12.668   6.568   9.203
  499    H    LYS  62           HN       LYS  62  14.924   3.340   7.641
  500    HA   LYS  62           HA       LYS  62  17.695   3.623   8.609
  501   1HB   LYS  62           HB2      LYS  62  15.888   1.237   9.044
  502   2HB   LYS  62           HB3      LYS  62  17.586   1.342   9.494
  503   1HG   LYS  62           HG2      LYS  62  15.485   3.214  10.573
  504   2HG   LYS  62           HG3      LYS  62  15.912   1.692  11.353
  505   1HD   LYS  62           HD2      LYS  62  17.862   2.495  12.155
  506   2HD   LYS  62           HD3      LYS  62  18.210   3.409  10.691
  507   1HE   LYS  62           HE2      LYS  62  17.878   4.848  12.670
  508   2HE   LYS  62           HE3      LYS  62  16.726   5.182  11.379
  509   1HZ   LYS  62           HZ2      LYS  62  16.066   3.348  13.607
  510   2HZ   LYS  62           HZ1      LYS  62  15.842   5.033  13.748
  511   3HZ   LYS  62           HZ3      LYS  62  15.001   4.159  12.552
  512    H    MET  63           HN       MET  63  17.438   4.033   6.074
  513    HA   MET  63           HA       MET  63  17.881   3.375   3.951
  514   1HB   MET  63           HB2      MET  63  20.053   2.139   3.778
  515   2HB   MET  63           HB3      MET  63  20.085   3.582   4.782
  516   1HG   MET  63           HG2      MET  63  20.044   2.228   6.788
  517   2HG   MET  63           HG3      MET  63  19.870   0.762   5.827
  518   1HE   MET  63           HE2      MET  63  21.825   3.472   7.208
  519   2HE   MET  63           HE3      MET  63  23.510   2.971   7.080
  520   3HE   MET  63           HE1      MET  63  22.765   3.894   5.777
  521    H    GLU  64           HN       GLU  64  15.731   1.895   4.388
  522    HA   GLU  64           HA       GLU  64  16.452  -0.731   3.237
  523   1HB   GLU  64           HB2      GLU  64  13.919  -0.013   4.745
  524   2HB   GLU  64           HB3      GLU  64  14.269  -1.568   4.013
  525   1HG   GLU  64           HG2      GLU  64  16.365  -1.512   5.569
  526   2HG   GLU  64           HG3      GLU  64  15.420  -0.328   6.469
  527    H    MET  65           HN       MET  65  15.863  -1.045   1.170
  528    HA   MET  65           HA       MET  65  14.478   0.991  -0.315
  529   1HB   MET  65           HB2      MET  65  15.617  -1.717  -0.989
  530   2HB   MET  65           HB3      MET  65  14.572  -0.894  -2.137
  531   1HG   MET  65           HG2      MET  65  16.852   0.631  -1.018
  532   2HG   MET  65           HG3      MET  65  17.200  -0.638  -2.183
  533   1HE   MET  65           HE3      MET  65  15.917   2.732  -1.399
  534   2HE   MET  65           HE1      MET  65  17.305   3.005  -2.455
  535   3HE   MET  65           HE2      MET  65  15.696   3.509  -2.968
  536    H    VAL  66           HN       VAL  66  12.390   1.211   0.430
  537    HA   VAL  66           HA       VAL  66  10.617  -1.111   0.074
  538    HB   VAL  66           HB       VAL  66   9.294  -0.368   2.043
  539   1HG1  VAL  66          HG12      VAL  66  11.380  -2.011   2.016
  540   2HG1  VAL  66          HG13      VAL  66  12.035  -0.790   3.106
  541   3HG1  VAL  66          HG11      VAL  66  10.524  -1.608   3.511
  542   1HG2  VAL  66          HG22      VAL  66  11.515   1.642   2.294
  543   2HG2  VAL  66          HG23      VAL  66   9.770   1.907   2.325
  544   3HG2  VAL  66          HG21      VAL  66  10.567   1.120   3.688
  545    H    TYR  67           HN       TYR  67   8.342  -0.577  -0.079
  546    HA   TYR  67           HA       TYR  67   7.873   1.443  -2.050
  547   1HB   TYR  67           HB2      TYR  67   6.163  -0.612  -0.668
  548   2HB   TYR  67           HB3      TYR  67   5.416   0.643  -1.637
  549    HD1  TYR  67           HD2      TYR  67   7.204   0.875  -3.936
  550    HD2  TYR  67           HD1      TYR  67   5.816  -2.574  -1.866
  551    HE1  TYR  67           HE2      TYR  67   7.463  -0.439  -5.986
  552    HE2  TYR  67           HE1      TYR  67   6.053  -3.910  -3.914
  553    HH   TYR  67           HH       TYR  67   6.913  -2.416  -6.997
  554    H    CYS  68           HN       CYS  68   7.298   3.464  -1.700
  555    HA   CYS  68           HA       CYS  68   5.799   4.185   0.723
  556   1HB   CYS  68           HB2      CYS  68   8.250   4.805   0.943
  557   2HB   CYS  68           HB3      CYS  68   8.021   5.918  -0.391
  558    HG   CYS  68           HG       CYS  68   7.592   6.661   2.366
  559    H    LEU  69           HN       LEU  69   4.949   6.514   0.433
  560    HA   LEU  69           HA       LEU  69   3.896   6.740  -2.316
  561   1HB   LEU  69           HB2      LEU  69   2.456   6.250  -0.058
  562   2HB   LEU  69           HB3      LEU  69   2.366   8.000  -0.128
  563    HG   LEU  69           HG       LEU  69   1.421   7.849  -2.397
  564   1HD1  LEU  69          HD13      LEU  69   2.354   5.155  -2.220
  565   2HD1  LEU  69          HD11      LEU  69   0.612   5.149  -2.486
  566   3HD1  LEU  69          HD12      LEU  69   1.669   6.007  -3.603
  567   1HD2  LEU  69          HD21      LEU  69   0.138   7.512  -0.063
  568   2HD2  LEU  69          HD22      LEU  69  -0.680   7.588  -1.626
  569   3HD2  LEU  69          HD23      LEU  69  -0.328   6.023  -0.886
  570    HA   PRO  70           HA       PRO  70   5.670  10.885  -2.519
  571   1HB   PRO  70           HB2      PRO  70   3.434  11.480  -4.366
  572   2HB   PRO  70           HB3      PRO  70   5.175  11.552  -4.647
  573   1HG   PRO  70           HG2      PRO  70   3.671   9.638  -5.734
  574   2HG   PRO  70           HG3      PRO  70   5.305   9.282  -5.132
  575   1HD   PRO  70           HD2      PRO  70   2.648   8.769  -3.822
  576   2HD   PRO  70           HD3      PRO  70   4.052   7.696  -3.978
  577    H    ALA  71           HN       ALA  71   3.634  12.921  -3.316
  578    HA   ALA  71           HA       ALA  71   2.854  13.869  -0.720
  579   1HB   ALA  71           HB2      ALA  71   3.403  15.361  -2.635
  580   2HB   ALA  71           HB3      ALA  71   1.915  14.843  -3.425
  581   3HB   ALA  71           HB1      ALA  71   1.845  15.724  -1.900
  582    H    GLU  72           HN       GLU  72   0.237  14.849  -1.195
  583    HA   GLU  72           HA       GLU  72  -1.331  12.564  -0.489
  584   1HB   GLU  72           HB2      GLU  72  -2.013  15.450  -1.034
  585   2HB   GLU  72           HB3      GLU  72  -3.265  14.256  -0.717
  586   1HG   GLU  72           HG2      GLU  72  -2.540  13.887   1.471
  587   2HG   GLU  72           HG3      GLU  72  -0.975  14.640   1.176
  588    H    LEU  73           HN       LEU  73  -0.948  11.222  -2.354
  589    HA   LEU  73           HA       LEU  73  -2.418  11.968  -4.788
  590   1HB   LEU  73           HB2      LEU  73   0.170  11.068  -4.521
  591   2HB   LEU  73           HB3      LEU  73  -0.681   9.592  -4.923
  592    HG   LEU  73           HG       LEU  73  -0.774  12.132  -6.556
  593   1HD1  LEU  73          HD13      LEU  73   0.795   9.594  -6.978
  594   2HD1  LEU  73          HD11      LEU  73   0.635  10.905  -8.148
  595   3HD1  LEU  73          HD12      LEU  73   1.448  11.192  -6.611
  596   1HD2  LEU  73          HD22      LEU  73  -2.008   9.419  -6.869
  597   2HD2  LEU  73          HD23      LEU  73  -2.745  11.012  -7.053
  598   3HD2  LEU  73          HD21      LEU  73  -1.632  10.407  -8.279
  599    H    GLY  74           HN       GLY  74  -4.422  11.300  -4.557
  600   1HA   GLY  74           HA1      GLY  74  -4.925   8.445  -3.941
  601   2HA   GLY  74           HA2      GLY  74  -5.967   9.723  -3.327
  602    H    VAL  75           HN       VAL  75  -6.490  11.348  -5.276
  603    HA   VAL  75           HA       VAL  75  -6.883  10.108  -7.831
  604    HB   VAL  75           HB       VAL  75  -8.772   9.115  -6.592
  605   1HG1  VAL  75          HG22      VAL  75  -9.000  11.154  -5.061
  606   2HG1  VAL  75          HG23      VAL  75  -9.988  11.843  -6.348
  607   3HG1  VAL  75          HG21      VAL  75 -10.473  10.335  -5.573
  608   1HG2  VAL  75          HG13      VAL  75  -8.951   9.612  -9.013
  609   2HG2  VAL  75          HG11      VAL  75 -10.499   9.597  -8.175
  610   3HG2  VAL  75          HG12      VAL  75  -9.751  11.130  -8.608
  611    HA   PRO  76           HA       PRO  76  -6.375  14.430  -8.790
  612   1HB   PRO  76           HB2      PRO  76  -7.729  13.867 -11.372
  613   2HB   PRO  76           HB3      PRO  76  -6.110  14.505 -11.058
  614   1HG   PRO  76           HG2      PRO  76  -6.484  12.002 -11.921
  615   2HG   PRO  76           HG3      PRO  76  -5.193  12.405 -10.777
  616   1HD   PRO  76           HD2      PRO  76  -7.832  11.089 -10.276
  617   2HD   PRO  76           HD3      PRO  76  -6.242  10.752  -9.562
  618    H    THR  77           HN       THR  77  -9.523  12.977  -8.850
  619    HA   THR  77           HA       THR  77 -10.751  15.596  -8.383
  620    HB   THR  77           HB       THR  77 -11.079  15.419 -10.735
  621    HG1  THR  77           HG1      THR  77 -12.993  16.029  -9.884
  622   1HG2  THR  77          HG22      THR  77 -12.016  12.571 -10.400
  623   2HG2  THR  77          HG21      THR  77 -12.121  13.519 -11.881
  624   3HG2  THR  77          HG23      THR  77 -10.544  13.114 -11.208
  625    H    THR  78           HN       THR  78 -11.859  15.452  -6.579
  626    HA   THR  78           HA       THR  78 -13.929  13.625  -6.104
  627    HB   THR  78           HB       THR  78 -12.115  12.010  -5.642
  628    HG1  THR  78           HG1      THR  78 -14.117  12.011  -4.410
  629   1HG2  THR  78          HG21      THR  78 -10.378  13.549  -4.847
  630   2HG2  THR  78          HG23      THR  78 -11.297  13.799  -3.366
  631   3HG2  THR  78          HG22      THR  78 -10.655  12.203  -3.742
   
  No H/Q in entry =         631
  Start of MODEL   12
    1   1H    MET   1           HT2      MET   1 -13.375   4.409  12.802
    2   2H    MET   1           HT1      MET   1 -14.177   5.665  13.656
    3   3H    MET   1           HT3      MET   1 -13.280   4.476  14.518
    4    HA   MET   1           HA       MET   1 -14.804   2.853  14.149
    5   1HB   MET   1           HB2      MET   1 -16.281   5.488  14.455
    6   2HB   MET   1           HB3      MET   1 -16.973   3.915  14.820
    7   1HG   MET   1           HG2      MET   1 -14.620   5.182  16.207
    8   2HG   MET   1           HG3      MET   1 -16.258   5.047  16.841
    9   1HE   MET   1           HE2      MET   1 -17.190   3.199  18.042
   10   2HE   MET   1           HE3      MET   1 -16.212   1.907  18.739
   11   3HE   MET   1           HE1      MET   1 -15.827   3.591  19.090
   12    H    ARG   2           HN       ARG   2 -17.248   2.606  13.235
   13    HA   ARG   2           HA       ARG   2 -18.567   2.200  11.442
   14   1HB   ARG   2           HB2      ARG   2 -17.535   4.889  10.906
   15   2HB   ARG   2           HB3      ARG   2 -17.991   4.038   9.442
   16   1HG   ARG   2           HG2      ARG   2 -19.795   4.350  11.832
   17   2HG   ARG   2           HG3      ARG   2 -19.787   5.438  10.441
   18   1HD   ARG   2           HD2      ARG   2 -20.091   3.253   9.056
   19   2HD   ARG   2           HD3      ARG   2 -20.621   2.558  10.589
   20    HE   ARG   2           HE       ARG   2 -22.035   4.941  10.193
   21   1HH1  ARG   2          HH12      ARG   2 -21.750   1.765   8.739
   22   2HH1  ARG   2          HH11      ARG   2 -23.388   1.754   8.131
   23   1HH2  ARG   2          HH22      ARG   2 -24.169   4.940   9.396
   24   2HH2  ARG   2          HH21      ARG   2 -24.759   3.562   8.517
   25    H    SER   3           HN       SER   3 -17.595   0.215  10.985
   26    HA   SER   3           HA       SER   3 -15.507   0.135   8.917
   27   1HB   SER   3           HB2      SER   3 -16.727  -2.091  10.583
   28   2HB   SER   3           HB3      SER   3 -15.425  -2.292   9.410
   29    HG   SER   3           HG       SER   3 -14.034  -1.308  10.719
   30    H    SER   4           HN       SER   4 -16.679   0.763   7.105
   31    HA   SER   4           HA       SER   4 -19.227  -0.190   6.411
   32   1HB   SER   4           HB2      SER   4 -17.237   0.825   4.386
   33   2HB   SER   4           HB3      SER   4 -18.985   1.055   4.432
   34    HG   SER   4           HG       SER   4 -17.342   2.808   5.156
   35    H    ALA   5           HN       ALA   5 -19.832  -1.519   4.725
   36    HA   ALA   5           HA       ALA   5 -18.299  -3.939   4.394
   37   1HB   ALA   5           HB2      ALA   5 -20.927  -3.074   3.192
   38   2HB   ALA   5           HB3      ALA   5 -20.191  -4.659   2.955
   39   3HB   ALA   5           HB1      ALA   5 -20.683  -4.149   4.570
   40    H    LYS   6           HN       LYS   6 -19.000  -1.051   2.517
   41    HA   LYS   6           HA       LYS   6 -17.998  -1.883   0.005
   42   1HB   LYS   6           HB2      LYS   6 -18.366   0.807   1.308
   43   2HB   LYS   6           HB3      LYS   6 -17.565   0.673  -0.251
   44   1HG   LYS   6           HG2      LYS   6 -20.261  -0.538   0.200
   45   2HG   LYS   6           HG3      LYS   6 -20.066   1.160  -0.215
   46   1HD   LYS   6           HD2      LYS   6 -18.908   0.568  -2.265
   47   2HD   LYS   6           HD3      LYS   6 -18.988  -1.143  -1.843
   48   1HE   LYS   6           HE2      LYS   6 -20.693  -0.468  -3.500
   49   2HE   LYS   6           HE3      LYS   6 -21.386  -1.134  -2.022
   50   1HZ   LYS   6           HZ3      LYS   6 -21.049   1.786  -2.406
   51   2HZ   LYS   6           HZ2      LYS   6 -22.431   0.963  -2.970
   52   3HZ   LYS   6           HZ1      LYS   6 -22.065   0.972  -1.306
   53    H    GLN   7           HN       GLN   7 -15.936  -1.819  -0.869
   54    HA   GLN   7           HA       GLN   7 -13.796  -1.959   1.025
   55   1HB   GLN   7           HB2      GLN   7 -14.119  -2.547  -1.872
   56   2HB   GLN   7           HB3      GLN   7 -12.483  -2.311  -1.267
   57   1HG   GLN   7           HG2      GLN   7 -13.164  -3.951   0.587
   58   2HG   GLN   7           HG3      GLN   7 -14.499  -4.380  -0.480
   59   1HE2  GLN   7          HE22      GLN   7 -11.491  -6.583  -1.024
   60   2HE2  GLN   7          HE21      GLN   7 -12.302  -6.044   0.408
   61    H    GLU   8           HN       GLU   8 -14.889   0.684   0.808
   62    HA   GLU   8           HA       GLU   8 -12.808   2.328  -0.394
   63   1HB   GLU   8           HB2      GLU   8 -14.972   3.194   1.533
   64   2HB   GLU   8           HB3      GLU   8 -14.037   4.214   0.446
   65   1HG   GLU   8           HG2      GLU   8 -15.137   3.259  -1.476
   66   2HG   GLU   8           HG3      GLU   8 -15.998   2.108  -0.458
   67    H    GLU   9           HN       GLU   9 -12.687   0.280   2.057
   68    HA   GLU   9           HA       GLU   9 -11.366   2.036   4.033
   69   1HB   GLU   9           HB2      GLU   9 -12.253  -0.857   4.198
   70   2HB   GLU   9           HB3      GLU   9 -11.384  -0.016   5.474
   71   1HG   GLU   9           HG2      GLU   9 -13.960   1.086   4.411
   72   2HG   GLU   9           HG3      GLU   9 -13.967  -0.222   5.593
   73    H    LEU  10           HN       LEU  10 -10.937  -0.784   2.010
   74    HA   LEU  10           HA       LEU  10  -8.343  -1.567   2.532
   75   1HB   LEU  10           HB2      LEU  10  -9.975  -2.728   1.103
   76   2HB   LEU  10           HB3      LEU  10  -9.796  -1.490  -0.122
   77    HG   LEU  10           HG       LEU  10  -7.570  -2.229  -0.632
   78   1HD1  LEU  10          HD12      LEU  10  -7.844  -3.769   1.910
   79   2HD1  LEU  10          HD13      LEU  10  -6.800  -4.377   0.629
   80   3HD1  LEU  10          HD11      LEU  10  -6.499  -2.786   1.330
   81   1HD2  LEU  10          HD22      LEU  10  -9.717  -3.563  -1.312
   82   2HD2  LEU  10          HD23      LEU  10  -8.125  -4.220  -1.659
   83   3HD2  LEU  10          HD21      LEU  10  -9.032  -4.807  -0.269
   84    H    VAL  11           HN       VAL  11  -9.457   1.296   0.910
   85    HA   VAL  11           HA       VAL  11  -6.950   1.927  -0.383
   86    HB   VAL  11           HB       VAL  11  -9.399   3.617   0.183
   87   1HG1  VAL  11          HG12      VAL  11  -6.725   4.406  -0.850
   88   2HG1  VAL  11          HG13      VAL  11  -8.145   5.079  -1.654
   89   3HG1  VAL  11          HG11      VAL  11  -7.909   5.336   0.073
   90   1HG2  VAL  11          HG23      VAL  11  -9.402   1.729  -1.567
   91   2HG2  VAL  11          HG21      VAL  11  -9.979   3.321  -2.049
   92   3HG2  VAL  11          HG22      VAL  11  -8.365   2.796  -2.504
   93    H    LYS  12           HN       LYS  12  -8.615   3.131   2.600
   94    HA   LYS  12           HA       LYS  12  -6.612   4.933   3.426
   95   1HB   LYS  12           HB2      LYS  12  -8.622   3.343   5.020
   96   2HB   LYS  12           HB3      LYS  12  -7.490   4.445   5.790
   97   1HG   LYS  12           HG2      LYS  12  -9.093   5.965   5.535
   98   2HG   LYS  12           HG3      LYS  12  -8.561   6.035   3.852
   99   1HD   LYS  12           HD2      LYS  12 -10.196   4.115   3.458
  100   2HD   LYS  12           HD3      LYS  12 -10.876   4.525   5.030
  101   1HE   LYS  12           HE2      LYS  12 -10.577   6.466   2.738
  102   2HE   LYS  12           HE3      LYS  12 -12.059   5.588   3.112
  103   1HZ   LYS  12           HZ2      LYS  12 -11.938   6.643   5.374
  104   2HZ   LYS  12           HZ1      LYS  12 -10.699   7.647   4.768
  105   3HZ   LYS  12           HZ3      LYS  12 -12.263   7.712   4.088
  106    H    ALA  13           HN       ALA  13  -7.005   1.490   3.978
  107    HA   ALA  13           HA       ALA  13  -4.813   1.074   5.715
  108   1HB   ALA  13           HB2      ALA  13  -6.156  -0.817   3.778
  109   2HB   ALA  13           HB3      ALA  13  -5.004  -1.294   5.022
  110   3HB   ALA  13           HB1      ALA  13  -6.553  -0.590   5.481
  111    H    PHE  14           HN       PHE  14  -5.101   0.645   2.177
  112    HA   PHE  14           HA       PHE  14  -2.518  -0.138   1.609
  113   1HB   PHE  14           HB2      PHE  14  -4.532   0.015   0.029
  114   2HB   PHE  14           HB3      PHE  14  -4.070   1.686  -0.240
  115    HD1  PHE  14           HD1      PHE  14  -3.017  -1.838  -0.586
  116    HD2  PHE  14           HD2      PHE  14  -2.166   2.218  -1.584
  117    HE1  PHE  14           HE1      PHE  14  -1.358  -2.589  -2.238
  118    HE2  PHE  14           HE2      PHE  14  -0.514   1.462  -3.238
  119    HZ   PHE  14           HZ       PHE  14  -0.107  -0.937  -3.553
  120    H    LYS  15           HN       LYS  15  -3.717   3.257   1.533
  121    HA   LYS  15           HA       LYS  15  -1.308   4.493   0.906
  122   1HB   LYS  15           HB2      LYS  15  -3.373   5.660   2.814
  123   2HB   LYS  15           HB3      LYS  15  -2.265   6.547   1.775
  124   1HG   LYS  15           HG2      LYS  15  -4.467   4.798   0.730
  125   2HG   LYS  15           HG3      LYS  15  -4.662   6.511   1.052
  126   1HD   LYS  15           HD2      LYS  15  -2.317   6.184  -0.509
  127   2HD   LYS  15           HD3      LYS  15  -3.568   5.175  -1.234
  128   1HE   LYS  15           HE2      LYS  15  -3.464   7.508  -2.155
  129   2HE   LYS  15           HE3      LYS  15  -5.036   7.044  -1.499
  130   1HZ   LYS  15           HZ2      LYS  15  -3.086   8.540   0.153
  131   2HZ   LYS  15           HZ1      LYS  15  -4.129   9.335  -0.923
  132   3HZ   LYS  15           HZ3      LYS  15  -4.771   8.405   0.347
  133    H    ALA  16           HN       ALA  16  -2.639   3.784   4.127
  134    HA   ALA  16           HA       ALA  16  -0.584   4.937   5.643
  135   1HB   ALA  16           HB3      ALA  16  -2.753   4.419   6.603
  136   2HB   ALA  16           HB1      ALA  16  -2.461   2.693   6.398
  137   3HB   ALA  16           HB2      ALA  16  -1.478   3.629   7.526
  138    H    LEU  17           HN       LEU  17  -1.047   1.543   4.629
  139    HA   LEU  17           HA       LEU  17   1.127   0.357   5.895
  140   1HB   LEU  17           HB2      LEU  17  -0.137  -0.232   3.213
  141   2HB   LEU  17           HB3      LEU  17   1.109  -1.244   3.904
  142    HG   LEU  17           HG       LEU  17  -1.736  -0.940   4.696
  143   1HD1  LEU  17          HD13      LEU  17   0.174  -3.219   4.358
  144   2HD1  LEU  17          HD11      LEU  17  -1.454  -3.406   5.013
  145   3HD1  LEU  17          HD12      LEU  17  -1.226  -2.813   3.368
  146   1HD2  LEU  17          HD23      LEU  17   0.470  -1.648   6.618
  147   2HD2  LEU  17          HD21      LEU  17  -0.758  -0.393   6.793
  148   3HD2  LEU  17          HD22      LEU  17  -1.215  -2.093   6.862
  149    H    LEU  18           HN       LEU  18   1.017   1.915   2.705
  150    HA   LEU  18           HA       LEU  18   3.762   1.442   2.065
  151   1HB   LEU  18           HB2      LEU  18   1.814   3.499   1.020
  152   2HB   LEU  18           HB3      LEU  18   3.396   3.199   0.330
  153    HG   LEU  18           HG       LEU  18   1.203   1.138   0.482
  154   1HD1  LEU  18          HD13      LEU  18   1.705   3.336  -1.370
  155   2HD1  LEU  18          HD11      LEU  18   1.547   1.765  -2.153
  156   3HD1  LEU  18          HD12      LEU  18   0.253   2.373  -1.119
  157   1HD2  LEU  18          HD23      LEU  18   3.940   1.192  -0.700
  158   2HD2  LEU  18          HD21      LEU  18   3.204  -0.040   0.324
  159   3HD2  LEU  18          HD22      LEU  18   2.697   0.135  -1.357
  160    H    LYS  19           HN       LYS  19   2.064   4.402   3.062
  161    HA   LYS  19           HA       LYS  19   4.305   6.042   3.207
  162   1HB   LYS  19           HB2      LYS  19   1.646   6.269   4.625
  163   2HB   LYS  19           HB3      LYS  19   2.851   7.553   4.564
  164   1HG   LYS  19           HG2      LYS  19   2.667   7.700   2.176
  165   2HG   LYS  19           HG3      LYS  19   1.601   6.290   2.120
  166   1HD   LYS  19           HD2      LYS  19   0.179   8.164   1.918
  167   2HD   LYS  19           HD3      LYS  19   0.013   7.634   3.594
  168   1HE   LYS  19           HE2      LYS  19   0.216  10.060   3.477
  169   2HE   LYS  19           HE3      LYS  19   1.605   9.351   4.300
  170   1HZ   LYS  19           HZ1      LYS  19   1.808   9.861   1.418
  171   2HZ   LYS  19           HZ3      LYS  19   1.921  11.178   2.482
  172   3HZ   LYS  19           HZ2      LYS  19   3.016   9.879   2.610
  173    H    GLU  20           HN       GLU  20   3.466   3.543   5.374
  174    HA   GLU  20           HA       GLU  20   4.677   4.684   7.735
  175   1HB   GLU  20           HB2      GLU  20   3.523   2.018   7.009
  176   2HB   GLU  20           HB3      GLU  20   4.590   2.117   8.400
  177   1HG   GLU  20           HG2      GLU  20   2.193   3.904   8.072
  178   2HG   GLU  20           HG3      GLU  20   2.105   2.319   8.837
  179    H    GLU  21           HN       GLU  21   5.899   3.212   4.901
  180    HA   GLU  21           HA       GLU  21   7.958   2.565   4.212
  181   1HB   GLU  21           HB2      GLU  21   9.002   3.959   6.692
  182   2HB   GLU  21           HB3      GLU  21   9.905   3.585   5.231
  183   1HG   GLU  21           HG2      GLU  21   8.542   5.137   3.951
  184   2HG   GLU  21           HG3      GLU  21   7.564   5.483   5.376
  185    H    LYS  22           HN       LYS  22   7.171   0.375   4.717
  186    HA   LYS  22           HA       LYS  22   8.910  -0.975   6.668
  187   1HB   LYS  22           HB2      LYS  22   6.852  -0.647   7.884
  188   2HB   LYS  22           HB3      LYS  22   5.887  -1.188   6.521
  189   1HG   LYS  22           HG2      LYS  22   6.872  -3.469   6.819
  190   2HG   LYS  22           HG3      LYS  22   7.678  -2.877   8.268
  191   1HD   LYS  22           HD2      LYS  22   5.118  -2.092   8.737
  192   2HD   LYS  22           HD3      LYS  22   4.859  -3.567   7.811
  193   1HE   LYS  22           HE2      LYS  22   4.990  -4.509   9.869
  194   2HE   LYS  22           HE3      LYS  22   6.709  -4.488   9.483
  195   1HZ   LYS  22           HZ2      LYS  22   6.898  -2.373  10.701
  196   2HZ   LYS  22           HZ1      LYS  22   5.243  -2.469  11.109
  197   3HZ   LYS  22           HZ3      LYS  22   6.334  -3.640  11.691
  198    H    PHE  23           HN       PHE  23   6.380  -1.559   4.254
  199    HA   PHE  23           HA       PHE  23   7.324  -4.170   3.618
  200   1HB   PHE  23           HB2      PHE  23   5.323  -2.487   2.102
  201   2HB   PHE  23           HB3      PHE  23   5.471  -4.252   2.092
  202    HD1  PHE  23           HD1      PHE  23   5.304  -5.401   4.407
  203    HD2  PHE  23           HD2      PHE  23   3.817  -1.497   3.609
  204    HE1  PHE  23           HE1      PHE  23   3.844  -5.565   6.371
  205    HE2  PHE  23           HE2      PHE  23   2.351  -1.660   5.576
  206    HZ   PHE  23           HZ       PHE  23   2.354  -3.698   6.956
  207    H    SER  24           HN       SER  24   8.617  -4.860   2.074
  208    HA   SER  24           HA       SER  24   9.803  -2.904   0.241
  209   1HB   SER  24           HB2      SER  24  10.854  -5.024   1.830
  210   2HB   SER  24           HB3      SER  24  11.183  -5.410   0.146
  211    HG   SER  24           HG       SER  24  12.762  -4.040   1.332
  212    H    SER  25           HN       SER  25   7.501  -5.370   0.110
  213    HA   SER  25           HA       SER  25   7.647  -5.367  -2.801
  214   1HB   SER  25           HB2      SER  25   7.520  -7.832  -2.960
  215   2HB   SER  25           HB3      SER  25   9.016  -7.306  -2.197
  216    HG   SER  25           HG       SER  25   8.383  -8.112  -0.313
  217    H    GLN  26           HN       GLN  26   5.792  -6.262  -3.836
  218    HA   GLN  26           HA       GLN  26   3.314  -5.348  -2.864
  219   1HB   GLN  26           HB2      GLN  26   3.487  -7.582  -4.861
  220   2HB   GLN  26           HB3      GLN  26   2.428  -6.209  -4.815
  221   1HG   GLN  26           HG2      GLN  26   4.301  -4.741  -5.445
  222   2HG   GLN  26           HG3      GLN  26   5.328  -6.168  -5.568
  223   1HE2  GLN  26          HE22      GLN  26   3.691  -5.101  -8.861
  224   2HE2  GLN  26          HE21      GLN  26   4.319  -4.130  -7.574
  225    H    GLY  27           HN       GLY  27   4.469  -8.672  -3.299
  226   1HA   GLY  27           HA1      GLY  27   2.445 -10.090  -2.073
  227   2HA   GLY  27           HA2      GLY  27   4.110 -10.630  -2.133
  228    H    GLU  28           HN       GLU  28   4.845  -8.174  -0.430
  229    HA   GLU  28           HA       GLU  28   4.498  -9.462   2.135
  230   1HB   GLU  28           HB2      GLU  28   6.550  -8.098   1.291
  231   2HB   GLU  28           HB3      GLU  28   5.619  -6.691   1.779
  232   1HG   GLU  28           HG2      GLU  28   5.468  -7.596   4.058
  233   2HG   GLU  28           HG3      GLU  28   6.427  -8.986   3.558
  234    H    ILE  29           HN       ILE  29   3.521  -6.304   0.723
  235    HA   ILE  29           HA       ILE  29   1.824  -5.606   2.897
  236    HB   ILE  29           HB       ILE  29   2.046  -3.640   1.949
  237   1HG1  ILE  29          HG12      ILE  29   0.211  -4.586  -0.254
  238   2HG1  ILE  29          HG13      ILE  29  -0.297  -3.914   1.296
  239   1HG2  ILE  29          HG23      ILE  29   2.766  -4.981  -0.639
  240   2HG2  ILE  29          HG21      ILE  29   2.874  -3.253  -0.341
  241   3HG2  ILE  29          HG22      ILE  29   3.874  -4.365   0.588
  242   1HD1  ILE  29          HD13      ILE  29   1.395  -1.981   0.344
  243   2HD1  ILE  29          HD11      ILE  29   0.618  -2.569  -1.127
  244   3HD1  ILE  29          HD12      ILE  29  -0.362  -1.968   0.214
  245    H    VAL  30           HN       VAL  30   1.392  -7.771   0.279
  246    HA   VAL  30           HA       VAL  30  -1.431  -7.852   0.040
  247    HB   VAL  30           HB       VAL  30   0.713  -9.941  -0.378
  248   1HG1  VAL  30          HG13      VAL  30  -2.247 -10.334  -0.493
  249   2HG1  VAL  30          HG11      VAL  30  -1.158 -11.276  -1.497
  250   3HG1  VAL  30          HG12      VAL  30  -1.013 -11.345   0.253
  251   1HG2  VAL  30          HG23      VAL  30   0.336  -8.034  -2.011
  252   2HG2  VAL  30          HG21      VAL  30   0.326  -9.660  -2.676
  253   3HG2  VAL  30          HG22      VAL  30  -1.189  -8.811  -2.405
  254    H    ALA  31           HN       ALA  31   0.842  -9.472   2.243
  255    HA   ALA  31           HA       ALA  31  -1.199 -10.910   3.683
  256   1HB   ALA  31           HB2      ALA  31   1.051 -11.822   3.527
  257   2HB   ALA  31           HB3      ALA  31   1.699 -10.414   4.371
  258   3HB   ALA  31           HB1      ALA  31   0.619 -11.532   5.213
  259    H    ALA  32           HN       ALA  32   0.613  -7.902   4.143
  260    HA   ALA  32           HA       ALA  32  -0.015  -7.284   6.770
  261   1HB   ALA  32           HB2      ALA  32   1.557  -5.999   5.431
  262   2HB   ALA  32           HB3      ALA  32   0.232  -5.360   4.464
  263   3HB   ALA  32           HB1      ALA  32   0.351  -4.944   6.172
  264    H    LEU  33           HN       LEU  33  -1.975  -6.630   3.859
  265    HA   LEU  33           HA       LEU  33  -4.057  -5.300   5.295
  266   1HB   LEU  33           HB2      LEU  33  -4.215  -6.570   2.559
  267   2HB   LEU  33           HB3      LEU  33  -5.346  -5.404   3.235
  268    HG   LEU  33           HG       LEU  33  -2.448  -4.673   2.936
  269   1HD1  LEU  33          HD13      LEU  33  -3.106  -5.511   0.750
  270   2HD1  LEU  33          HD11      LEU  33  -4.524  -4.466   0.769
  271   3HD1  LEU  33          HD12      LEU  33  -2.913  -3.757   0.726
  272   1HD2  LEU  33          HD22      LEU  33  -5.046  -3.173   3.097
  273   2HD2  LEU  33          HD23      LEU  33  -3.664  -3.098   4.186
  274   3HD2  LEU  33          HD21      LEU  33  -3.546  -2.418   2.567
  275    H    GLN  34           HN       GLN  34  -3.406  -8.679   4.558
  276    HA   GLN  34           HA       GLN  34  -6.015  -9.671   5.162
  277   1HB   GLN  34           HB2      GLN  34  -3.321 -11.042   5.219
  278   2HB   GLN  34           HB3      GLN  34  -4.848 -11.862   5.504
  279   1HG   GLN  34           HG2      GLN  34  -5.592 -11.482   3.304
  280   2HG   GLN  34           HG3      GLN  34  -4.310 -10.317   2.988
  281   1HE2  GLN  34          HE22      GLN  34  -2.487 -12.818   1.436
  282   2HE2  GLN  34          HE21      GLN  34  -3.153 -11.221   1.403
  283    H    GLU  35           HN       GLU  35  -3.192  -8.857   7.067
  284    HA   GLU  35           HA       GLU  35  -4.166  -9.908   9.554
  285   1HB   GLU  35           HB2      GLU  35  -1.974  -7.915   8.926
  286   2HB   GLU  35           HB3      GLU  35  -2.319  -8.513  10.541
  287   1HG   GLU  35           HG2      GLU  35  -1.812 -10.508   8.386
  288   2HG   GLU  35           HG3      GLU  35  -0.446  -9.583   9.010
  289    H    GLN  36           HN       GLN  36  -4.293  -6.788   7.908
  290    HA   GLN  36           HA       GLN  36  -5.184  -5.142   9.979
  291   1HB   GLN  36           HB2      GLN  36  -5.554  -5.039   6.991
  292   2HB   GLN  36           HB3      GLN  36  -6.244  -3.818   8.035
  293   1HG   GLN  36           HG2      GLN  36  -3.514  -4.138   8.750
  294   2HG   GLN  36           HG3      GLN  36  -3.616  -3.965   7.000
  295   1HE2  GLN  36          HE22      GLN  36  -3.635  -0.709   9.085
  296   2HE2  GLN  36          HE21      GLN  36  -2.871  -2.220   9.430
  297    H    GLY  37           HN       GLY  37  -7.204  -6.670   7.446
  298   1HA   GLY  37           HA1      GLY  37  -9.215  -7.688   9.010
  299   2HA   GLY  37           HA2      GLY  37  -9.647  -5.993   8.815
  300    H    PHE  38           HN       PHE  38  -7.975  -7.606   6.227
  301    HA   PHE  38           HA       PHE  38 -10.489  -7.642   4.666
  302   1HB   PHE  38           HB2      PHE  38  -7.676  -7.210   3.621
  303   2HB   PHE  38           HB3      PHE  38  -9.176  -7.081   2.702
  304    HD1  PHE  38           HD1      PHE  38 -10.762  -5.228   3.185
  305    HD2  PHE  38           HD2      PHE  38  -6.930  -5.416   5.004
  306    HE1  PHE  38           HE1      PHE  38 -10.936  -2.856   3.839
  307    HE2  PHE  38           HE2      PHE  38  -7.090  -3.078   5.655
  308    HZ   PHE  38           HZ       PHE  38  -9.085  -1.786   5.071
  309    H    ASP  39           HN       ASP  39 -10.500  -9.186   2.825
  310    HA   ASP  39           HA       ASP  39  -8.847 -11.515   3.018
  311   1HB   ASP  39           HB2      ASP  39 -10.651 -11.873   4.739
  312   2HB   ASP  39           HB3      ASP  39 -11.811 -11.842   3.424
  313    H    ASN  40           HN       ASN  40  -8.651 -12.439   1.162
  314    HA   ASN  40           HA       ASN  40  -9.091 -13.194  -1.000
  315   1HB   ASN  40           HB2      ASN  40 -11.594 -12.588  -0.595
  316   2HB   ASN  40           HB3      ASN  40 -11.204 -11.079  -1.412
  317   1HD2  ASN  40          HD22      ASN  40 -11.047 -14.565  -3.568
  318   2HD2  ASN  40          HD21      ASN  40 -10.663 -14.571  -1.883
  319    H    ILE  41           HN       ILE  41  -7.307 -11.260   0.068
  320    HA   ILE  41           HA       ILE  41  -6.969  -9.290  -2.081
  321    HB   ILE  41           HB       ILE  41  -6.058  -9.482   0.760
  322   1HG1  ILE  41          HG12      ILE  41  -6.861  -7.273   0.939
  323   2HG1  ILE  41          HG13      ILE  41  -6.768  -7.004  -0.796
  324   1HG2  ILE  41          HG23      ILE  41  -4.402  -8.263  -1.409
  325   2HG2  ILE  41          HG21      ILE  41  -4.479  -7.487   0.171
  326   3HG2  ILE  41          HG22      ILE  41  -3.917  -9.145   0.036
  327   1HD1  ILE  41          HD12      ILE  41  -8.691  -8.900   0.503
  328   2HD1  ILE  41          HD13      ILE  41  -9.066  -7.230   0.082
  329   3HD1  ILE  41          HD11      ILE  41  -8.660  -8.390  -1.186
  330    H    ASN  42           HN       ASN  42  -5.490  -9.591  -3.616
  331    HA   ASN  42           HA       ASN  42  -3.337 -11.567  -3.185
  332   1HB   ASN  42           HB2      ASN  42  -3.675 -12.487  -5.394
  333   2HB   ASN  42           HB3      ASN  42  -5.180 -12.563  -4.497
  334   1HD2  ASN  42          HD22      ASN  42  -6.066 -11.498  -7.868
  335   2HD2  ASN  42          HD21      ASN  42  -5.396 -12.895  -7.090
  336    H    GLN  43           HN       GLN  43  -1.913 -11.505  -5.371
  337    HA   GLN  43           HA       GLN  43  -0.296  -9.252  -5.147
  338   1HB   GLN  43           HB2      GLN  43   0.093 -11.673  -6.154
  339   2HB   GLN  43           HB3      GLN  43  -0.260 -10.866  -7.673
  340   1HG   GLN  43           HG2      GLN  43   1.968 -10.565  -7.668
  341   2HG   GLN  43           HG3      GLN  43   1.539  -9.145  -6.719
  342   1HE2  GLN  43          HE22      GLN  43   3.970 -11.865  -5.178
  343   2HE2  GLN  43          HE21      GLN  43   3.556 -11.735  -6.851
  344    H    SER  44           HN       SER  44  -2.463 -10.071  -7.891
  345    HA   SER  44           HA       SER  44  -1.969  -7.835  -9.451
  346   1HB   SER  44           HB2      SER  44  -4.745  -8.959  -9.420
  347   2HB   SER  44           HB3      SER  44  -3.702  -8.568 -10.783
  348    HG   SER  44           HG       SER  44  -4.112 -10.899 -10.216
  349    H    LYS  45           HN       LYS  45  -4.253  -8.224  -6.802
  350    HA   LYS  45           HA       LYS  45  -5.622  -5.757  -7.070
  351   1HB   LYS  45           HB2      LYS  45  -6.664  -7.384  -5.726
  352   2HB   LYS  45           HB3      LYS  45  -5.200  -7.718  -4.820
  353   1HG   LYS  45           HG2      LYS  45  -6.470  -5.040  -4.575
  354   2HG   LYS  45           HG3      LYS  45  -7.185  -6.420  -3.749
  355   1HD   LYS  45           HD2      LYS  45  -5.400  -6.701  -2.329
  356   2HD   LYS  45           HD3      LYS  45  -4.246  -6.002  -3.444
  357   1HE   LYS  45           HE2      LYS  45  -6.119  -4.627  -1.564
  358   2HE   LYS  45           HE3      LYS  45  -4.386  -4.403  -1.767
  359   1HZ   LYS  45           HZ1      LYS  45  -5.141  -3.608  -4.134
  360   2HZ   LYS  45           HZ3      LYS  45  -6.606  -3.280  -3.330
  361   3HZ   LYS  45           HZ2      LYS  45  -5.163  -2.551  -2.811
  362    H    VAL  46           HN       VAL  46  -2.545  -6.619  -5.648
  363    HA   VAL  46           HA       VAL  46  -2.208  -4.120  -4.207
  364    HB   VAL  46           HB       VAL  46  -0.483  -6.559  -4.531
  365   1HG1  VAL  46          HG13      VAL  46   0.263  -3.983  -3.147
  366   2HG1  VAL  46          HG11      VAL  46   1.128  -5.511  -2.999
  367   3HG1  VAL  46          HG12      VAL  46   1.061  -4.692  -4.550
  368   1HG2  VAL  46          HG21      VAL  46  -2.112  -5.294  -2.365
  369   2HG2  VAL  46          HG22      VAL  46  -2.050  -6.974  -2.890
  370   3HG2  VAL  46          HG23      VAL  46  -0.729  -6.299  -1.940
  371    H    SER  47           HN       SER  47  -0.627  -5.704  -7.019
  372    HA   SER  47           HA       SER  47   1.108  -3.627  -7.691
  373   1HB   SER  47           HB2      SER  47   0.942  -4.621 -10.062
  374   2HB   SER  47           HB3      SER  47   1.489  -5.690  -8.773
  375    HG   SER  47           HG       SER  47  -0.026  -6.900  -9.666
  376    H    ARG  48           HN       ARG  48  -2.285  -4.102  -8.566
  377    HA   ARG  48           HA       ARG  48  -2.498  -1.978 -10.424
  378   1HB   ARG  48           HB2      ARG  48  -4.473  -3.512  -8.764
  379   2HB   ARG  48           HB3      ARG  48  -5.009  -2.060  -9.599
  380   1HG   ARG  48           HG2      ARG  48  -3.994  -3.137 -11.705
  381   2HG   ARG  48           HG3      ARG  48  -4.004  -4.631 -10.766
  382   1HD   ARG  48           HD2      ARG  48  -6.384  -2.891 -11.391
  383   2HD   ARG  48           HD3      ARG  48  -6.019  -4.454 -12.109
  384    HE   ARG  48           HE       ARG  48  -7.061  -3.931  -9.425
  385   1HH1  ARG  48          HH12      ARG  48  -5.816  -6.298 -11.713
  386   2HH1  ARG  48          HH11      ARG  48  -6.482  -7.660 -10.851
  387   1HH2  ARG  48          HH22      ARG  48  -7.912  -5.729  -8.290
  388   2HH2  ARG  48          HH21      ARG  48  -7.659  -7.336  -8.911
  389    H    MET  49           HN       MET  49  -2.816  -2.074  -6.894
  390    HA   MET  49           HA       MET  49  -3.724   0.645  -6.675
  391   1HB   MET  49           HB2      MET  49  -2.918  -1.473  -4.724
  392   2HB   MET  49           HB3      MET  49  -2.961   0.199  -4.185
  393   1HG   MET  49           HG2      MET  49  -5.333   0.218  -5.219
  394   2HG   MET  49           HG3      MET  49  -5.209  -1.535  -5.099
  395   1HE   MET  49           HE1      MET  49  -7.456  -0.296  -3.996
  396   2HE   MET  49           HE2      MET  49  -7.589  -0.308  -2.237
  397   3HE   MET  49           HE3      MET  49  -7.038   1.142  -3.067
  398    H    LEU  50           HN       LEU  50  -0.576  -0.962  -6.557
  399    HA   LEU  50           HA       LEU  50   0.905   1.244  -5.548
  400   1HB   LEU  50           HB2      LEU  50   1.599  -1.287  -6.982
  401   2HB   LEU  50           HB3      LEU  50   2.806  -0.015  -6.935
  402    HG   LEU  50           HG       LEU  50   1.753  -0.388  -4.285
  403   1HD1  LEU  50          HD12      LEU  50   1.557  -2.778  -5.614
  404   2HD1  LEU  50          HD13      LEU  50   3.141  -2.877  -4.854
  405   3HD1  LEU  50          HD11      LEU  50   1.713  -2.564  -3.876
  406   1HD2  LEU  50          HD23      LEU  50   4.285  -0.081  -5.586
  407   2HD2  LEU  50          HD21      LEU  50   3.835   0.220  -3.912
  408   3HD2  LEU  50          HD22      LEU  50   4.364  -1.383  -4.408
  409    H    THR  51           HN       THR  51   0.076   0.241  -8.853
  410    HA   THR  51           HA       THR  51   1.488   2.450 -10.058
  411    HB   THR  51           HB       THR  51  -0.536   0.577 -11.311
  412    HG1  THR  51           HG1      THR  51   2.131   0.277 -10.593
  413   1HG2  THR  51          HG23      THR  51  -0.041   2.567 -12.684
  414   2HG2  THR  51          HG22      THR  51   1.673   2.160 -12.613
  415   3HG2  THR  51          HG21      THR  51   0.535   1.069 -13.409
  416    H    LYS  52           HN       LYS  52  -1.854   1.757  -9.116
  417    HA   LYS  52           HA       LYS  52  -3.081   3.974 -10.383
  418   1HB   LYS  52           HB2      LYS  52  -4.384   2.071  -9.621
  419   2HB   LYS  52           HB3      LYS  52  -3.909   2.362  -7.957
  420   1HG   LYS  52           HG2      LYS  52  -5.233   4.652  -9.206
  421   2HG   LYS  52           HG3      LYS  52  -6.233   3.200  -9.133
  422   1HD   LYS  52           HD2      LYS  52  -5.492   3.061  -6.666
  423   2HD   LYS  52           HD3      LYS  52  -4.987   4.738  -6.871
  424   1HE   LYS  52           HE2      LYS  52  -7.756   3.583  -7.089
  425   2HE   LYS  52           HE3      LYS  52  -7.171   4.823  -5.980
  426   1HZ   LYS  52           HZ3      LYS  52  -6.767   6.226  -8.015
  427   2HZ   LYS  52           HZ2      LYS  52  -7.666   5.079  -8.895
  428   3HZ   LYS  52           HZ1      LYS  52  -8.403   5.943  -7.620
  429    H    PHE  53           HN       PHE  53  -1.874   3.538  -7.048
  430    HA   PHE  53           HA       PHE  53  -2.471   6.286  -6.353
  431   1HB   PHE  53           HB2      PHE  53  -1.190   3.988  -4.859
  432   2HB   PHE  53           HB3      PHE  53  -1.227   5.615  -4.192
  433    HD1  PHE  53           HD2      PHE  53  -3.786   6.679  -4.619
  434    HD2  PHE  53           HD1      PHE  53  -2.742   2.611  -3.921
  435    HE1  PHE  53           HE2      PHE  53  -6.049   6.246  -3.757
  436    HE2  PHE  53           HE1      PHE  53  -4.995   2.178  -3.059
  437    HZ   PHE  53           HZ       PHE  53  -6.655   3.990  -2.987
  438    H    GLY  54           HN       GLY  54   0.294   4.507  -7.520
  439   1HA   GLY  54           HA1      GLY  54   2.234   5.399  -8.450
  440   2HA   GLY  54           HA2      GLY  54   1.779   6.983  -7.846
  441    H    ALA  55           HN       ALA  55   2.740   3.789  -6.585
  442    HA   ALA  55           HA       ALA  55   3.954   4.956  -4.227
  443   1HB   ALA  55           HB1      ALA  55   2.802   2.797  -4.095
  444   2HB   ALA  55           HB2      ALA  55   3.986   2.103  -5.205
  445   3HB   ALA  55           HB3      ALA  55   4.491   2.664  -3.608
  446    H    VAL  56           HN       VAL  56   6.158   4.887  -3.702
  447    HA   VAL  56           HA       VAL  56   8.037   4.417  -5.930
  448    HB   VAL  56           HB       VAL  56   9.289   6.404  -5.397
  449   1HG1  VAL  56          HG11      VAL  56   7.187   6.497  -6.856
  450   2HG1  VAL  56          HG12      VAL  56   6.437   7.332  -5.492
  451   3HG1  VAL  56          HG13      VAL  56   7.856   8.025  -6.279
  452   1HG2  VAL  56          HG21      VAL  56   7.409   6.618  -3.070
  453   2HG2  VAL  56          HG22      VAL  56   9.164   6.788  -3.116
  454   3HG2  VAL  56          HG23      VAL  56   8.136   8.069  -3.754
  455    H    ARG  57           HN       ARG  57  10.005   3.552  -5.379
  456    HA   ARG  57           HA       ARG  57  10.195   2.337  -2.750
  457   1HB   ARG  57           HB2      ARG  57  12.064   2.167  -5.130
  458   2HB   ARG  57           HB3      ARG  57  12.171   1.200  -3.666
  459   1HG   ARG  57           HG2      ARG  57  10.173   0.040  -4.151
  460   2HG   ARG  57           HG3      ARG  57   9.755   1.159  -5.447
  461   1HD   ARG  57           HD2      ARG  57  10.631  -1.050  -6.216
  462   2HD   ARG  57           HD3      ARG  57  11.508   0.344  -6.837
  463    HE   ARG  57           HE       ARG  57  13.239  -0.114  -5.149
  464   1HH1  ARG  57          HH12      ARG  57  11.056  -2.742  -6.003
  465   2HH1  ARG  57          HH11      ARG  57  12.176  -3.983  -5.524
  466   1HH2  ARG  57          HH22      ARG  57  14.691  -1.745  -4.533
  467   2HH2  ARG  57          HH21      ARG  57  14.239  -3.418  -4.682
  468    H    THR  58           HN       THR  58  11.604   2.937  -1.125
  469    HA   THR  58           HA       THR  58  13.628   4.991  -1.651
  470    HB   THR  58           HB       THR  58  11.398   6.141  -1.220
  471    HG1  THR  58           HG1      THR  58  12.336   7.713   0.036
  472   1HG2  THR  58          HG22      THR  58  10.663   4.566   0.600
  473   2HG2  THR  58          HG21      THR  58  11.808   5.395   1.658
  474   3HG2  THR  58          HG23      THR  58  10.470   6.288   0.929
  475    H    ARG  59           HN       ARG  59  14.851   5.537   0.402
  476    HA   ARG  59           HA       ARG  59  15.615   3.069   1.678
  477   1HB   ARG  59           HB2      ARG  59  17.528   4.266   1.400
  478   2HB   ARG  59           HB3      ARG  59  16.722   5.823   1.547
  479   1HG   ARG  59           HG2      ARG  59  16.913   5.844   3.854
  480   2HG   ARG  59           HG3      ARG  59  17.097   4.093   3.958
  481   1HD   ARG  59           HD2      ARG  59  19.204   5.193   4.435
  482   2HD   ARG  59           HD3      ARG  59  19.318   4.249   2.954
  483    HE   ARG  59           HE       ARG  59  19.114   7.198   3.113
  484   1HH1  ARG  59          HH12      ARG  59  20.036   4.302   1.342
  485   2HH1  ARG  59          HH11      ARG  59  20.818   5.187   0.064
  486   1HH2  ARG  59          HH22      ARG  59  20.154   8.344   1.447
  487   2HH2  ARG  59          HH21      ARG  59  20.890   7.480   0.125
  488    H    ASN  60           HN       ASN  60  15.044   2.334   3.566
  489    HA   ASN  60           HA       ASN  60  12.968   3.555   5.124
  490   1HB   ASN  60           HB2      ASN  60  13.300   1.076   4.577
  491   2HB   ASN  60           HB3      ASN  60  14.562   1.107   5.785
  492   1HD2  ASN  60          HD22      ASN  60  11.873  -0.217   7.657
  493   2HD2  ASN  60          HD21      ASN  60  13.099  -0.661   6.527
  494    H    ALA  61           HN       ALA  61  13.526   2.928   7.722
  495    HA   ALA  61           HA       ALA  61  15.279   5.008   8.568
  496   1HB   ALA  61           HB1      ALA  61  13.236   4.148   9.783
  497   2HB   ALA  61           HB2      ALA  61  14.239   2.795  10.318
  498   3HB   ALA  61           HB3      ALA  61  14.666   4.446  10.767
  499    H    LYS  62           HN       LYS  62  15.785   1.703   7.774
  500    HA   LYS  62           HA       LYS  62  18.551   1.836   8.780
  501   1HB   LYS  62           HB2      LYS  62  16.649  -0.507   8.937
  502   2HB   LYS  62           HB3      LYS  62  18.392  -0.690   9.080
  503   1HG   LYS  62           HG2      LYS  62  16.897   1.211  10.853
  504   2HG   LYS  62           HG3      LYS  62  16.983  -0.510  11.229
  505   1HD   LYS  62           HD2      LYS  62  19.046  -0.285  12.053
  506   2HD   LYS  62           HD3      LYS  62  19.605   0.464  10.557
  507   1HE   LYS  62           HE2      LYS  62  19.957   1.909  12.517
  508   2HE   LYS  62           HE3      LYS  62  18.891   2.638  11.318
  509   1HZ   LYS  62           HZ3      LYS  62  17.395   1.159  13.245
  510   2HZ   LYS  62           HZ2      LYS  62  18.387   2.319  14.006
  511   3HZ   LYS  62           HZ1      LYS  62  17.276   2.804  12.811
  512    H    MET  63           HN       MET  63  18.031   2.701   6.300
  513    HA   MET  63           HA       MET  63  18.659   2.547   4.134
  514   1HB   MET  63           HB2      MET  63  20.349   0.174   4.915
  515   2HB   MET  63           HB3      MET  63  20.682   1.410   3.717
  516   1HG   MET  63           HG2      MET  63  20.694   3.033   5.722
  517   2HG   MET  63           HG3      MET  63  20.894   1.565   6.674
  518   1HE   MET  63           HE2      MET  63  22.733  -0.113   6.418
  519   2HE   MET  63           HE3      MET  63  22.865  -0.254   4.666
  520   3HE   MET  63           HE1      MET  63  24.284   0.165   5.622
  521    H    GLU  64           HN       GLU  64  16.463   0.402   5.086
  522    HA   GLU  64           HA       GLU  64  16.742  -1.610   3.026
  523   1HB   GLU  64           HB2      GLU  64  14.413  -0.929   4.839
  524   2HB   GLU  64           HB3      GLU  64  14.418  -2.266   3.703
  525   1HG   GLU  64           HG2      GLU  64  16.763  -2.498   5.275
  526   2HG   GLU  64           HG3      GLU  64  15.432  -2.158   6.374
  527    H    MET  65           HN       MET  65  15.955  -1.562   0.984
  528    HA   MET  65           HA       MET  65  14.802   0.899  -0.039
  529   1HB   MET  65           HB2      MET  65  15.496  -1.725  -1.394
  530   2HB   MET  65           HB3      MET  65  14.917  -0.298  -2.236
  531   1HG   MET  65           HG2      MET  65  17.318   0.018  -0.524
  532   2HG   MET  65           HG3      MET  65  17.492  -0.889  -2.024
  533   1HE   MET  65           HE1      MET  65  16.691   2.135  -0.192
  534   2HE   MET  65           HE2      MET  65  17.868   3.132  -1.037
  535   3HE   MET  65           HE3      MET  65  16.150   3.335  -1.358
  536    H    VAL  66           HN       VAL  66  12.830   0.738   1.287
  537    HA   VAL  66           HA       VAL  66  10.924  -1.331   0.500
  538    HB   VAL  66           HB       VAL  66   9.517  -0.508   2.382
  539   1HG1  VAL  66          HG13      VAL  66  12.359  -1.251   3.082
  540   2HG1  VAL  66          HG11      VAL  66  10.986  -1.321   4.185
  541   3HG1  VAL  66          HG12      VAL  66  11.024  -2.360   2.755
  542   1HG2  VAL  66          HG22      VAL  66  11.815   1.411   2.748
  543   2HG2  VAL  66          HG23      VAL  66  10.093   1.769   2.608
  544   3HG2  VAL  66          HG21      VAL  66  10.713   0.982   4.057
  545    H    TYR  67           HN       TYR  67   8.599  -0.609   0.443
  546    HA   TYR  67           HA       TYR  67   8.275   1.400  -1.612
  547   1HB   TYR  67           HB2      TYR  67   6.506  -0.691  -0.375
  548   2HB   TYR  67           HB3      TYR  67   5.774   0.644  -1.246
  549    HD1  TYR  67           HD1      TYR  67   7.608   1.004  -3.519
  550    HD2  TYR  67           HD2      TYR  67   6.080  -2.534  -1.712
  551    HE1  TYR  67           HE1      TYR  67   7.858  -0.179  -5.646
  552    HE2  TYR  67           HE2      TYR  67   6.312  -3.739  -3.838
  553    HH   TYR  67           HH       TYR  67   8.164  -2.946  -6.201
  554    H    CYS  68           HN       CYS  68   7.258   3.319  -1.421
  555    HA   CYS  68           HA       CYS  68   5.829   4.050   1.017
  556   1HB   CYS  68           HB2      CYS  68   8.259   4.729   1.312
  557   2HB   CYS  68           HB3      CYS  68   8.048   5.834  -0.038
  558    HG   CYS  68           HG       CYS  68   6.838   7.414   1.433
  559    H    LEU  69           HN       LEU  69   4.980   6.393   0.664
  560    HA   LEU  69           HA       LEU  69   4.040   6.626  -2.125
  561   1HB   LEU  69           HB2      LEU  69   2.468   5.869  -0.085
  562   2HB   LEU  69           HB3      LEU  69   2.326   7.606   0.097
  563    HG   LEU  69           HG       LEU  69   1.457   7.816  -2.160
  564   1HD1  LEU  69          HD11      LEU  69   2.482   5.098  -2.396
  565   2HD1  LEU  69          HD12      LEU  69   0.830   5.262  -2.990
  566   3HD1  LEU  69          HD13      LEU  69   2.105   6.280  -3.647
  567   1HD2  LEU  69          HD23      LEU  69   0.099   5.703  -0.498
  568   2HD2  LEU  69          HD21      LEU  69  -0.144   7.448  -0.408
  569   3HD2  LEU  69          HD22      LEU  69  -0.647   6.560  -1.845
  570    HA   PRO  70           HA       PRO  70   5.589  10.842  -2.027
  571   1HB   PRO  70           HB2      PRO  70   3.411  11.397  -3.974
  572   2HB   PRO  70           HB3      PRO  70   5.155  11.638  -4.130
  573   1HG   PRO  70           HG2      PRO  70   3.923   9.658  -5.428
  574   2HG   PRO  70           HG3      PRO  70   5.535   9.422  -4.720
  575   1HD   PRO  70           HD2      PRO  70   2.859   8.555  -3.680
  576   2HD   PRO  70           HD3      PRO  70   4.395   7.666  -3.730
  577    H    ALA  71           HN       ALA  71   4.066  13.088  -2.516
  578    HA   ALA  71           HA       ALA  71   2.702  13.463  -0.016
  579   1HB   ALA  71           HB1      ALA  71   4.156  15.151  -1.219
  580   2HB   ALA  71           HB2      ALA  71   2.779  15.433  -2.278
  581   3HB   ALA  71           HB3      ALA  71   2.634  15.743  -0.545
  582    H    GLU  72           HN       GLU  72   1.227  11.619  -0.927
  583    HA   GLU  72           HA       GLU  72  -0.805  10.847  -1.578
  584   1HB   GLU  72           HB2      GLU  72  -1.593  13.603  -0.617
  585   2HB   GLU  72           HB3      GLU  72  -2.726  12.290  -0.903
  586   1HG   GLU  72           HG2      GLU  72  -0.431  11.825   0.948
  587   2HG   GLU  72           HG3      GLU  72  -1.784  12.806   1.501
  588    H    LEU  73           HN       LEU  73   0.398  11.275  -3.829
  589    HA   LEU  73           HA       LEU  73  -1.171  13.068  -5.540
  590   1HB   LEU  73           HB2      LEU  73   1.316  13.015  -5.739
  591   2HB   LEU  73           HB3      LEU  73   1.213  11.345  -6.259
  592    HG   LEU  73           HG       LEU  73   0.067  11.989  -8.289
  593   1HD1  LEU  73          HD11      LEU  73  -0.061  14.688  -6.989
  594   2HD1  LEU  73          HD12      LEU  73  -0.143  14.515  -8.744
  595   3HD1  LEU  73          HD13      LEU  73  -1.357  13.743  -7.724
  596   1HD2  LEU  73          HD21      LEU  73   2.598  12.231  -8.049
  597   2HD2  LEU  73          HD22      LEU  73   1.822  13.025  -9.421
  598   3HD2  LEU  73          HD23      LEU  73   2.299  13.967  -8.010
  599    H    GLY  74           HN       GLY  74  -3.130  11.840  -5.329
  600   1HA   GLY  74           HA1      GLY  74  -3.661  10.084  -7.439
  601   2HA   GLY  74           HA2      GLY  74  -3.388   9.107  -6.000
  602    H    VAL  75           HN       VAL  75  -5.804  10.138  -7.764
  603    HA   VAL  75           HA       VAL  75  -8.041  10.360  -7.424
  604    HB   VAL  75           HB       VAL  75  -7.621  10.156  -4.441
  605   1HG1  VAL  75          HG23      VAL  75  -9.979   9.912  -6.268
  606   2HG1  VAL  75          HG21      VAL  75  -9.962   9.089  -4.713
  607   3HG1  VAL  75          HG22      VAL  75  -9.809  10.842  -4.781
  608   1HG2  VAL  75          HG13      VAL  75  -7.508   8.062  -6.535
  609   2HG2  VAL  75          HG11      VAL  75  -6.703   8.146  -4.967
  610   3HG2  VAL  75          HG12      VAL  75  -8.405   7.686  -5.065
  611    HA   PRO  76           HA       PRO  76  -7.594  14.866  -7.205
  612   1HB   PRO  76           HB2      PRO  76 -10.511  14.816  -7.701
  613   2HB   PRO  76           HB3      PRO  76  -9.220  15.608  -8.600
  614   1HG   PRO  76           HG2      PRO  76 -10.504  13.317  -9.413
  615   2HG   PRO  76           HG3      PRO  76  -8.911  13.844  -9.974
  616   1HD   PRO  76           HD2      PRO  76  -9.602  11.589  -8.260
  617   2HD   PRO  76           HD3      PRO  76  -8.067  11.964  -9.063
  618    H    THR  77           HN       THR  77  -7.444  15.844  -5.289
  619    HA   THR  77           HA       THR  77  -8.938  15.091  -2.999
  620    HB   THR  77           HB       THR  77  -6.601  16.118  -3.087
  621    HG1  THR  77           HG1      THR  77  -8.417  16.225  -1.219
  622   1HG2  THR  77          HG23      THR  77  -7.268  18.122  -4.501
  623   2HG2  THR  77          HG22      THR  77  -7.945  18.804  -3.020
  624   3HG2  THR  77          HG21      THR  77  -6.223  18.423  -3.111
  625    H    THR  78           HN       THR  78 -10.729  15.918  -2.073
  626    HA   THR  78           HA       THR  78 -11.905  18.432  -2.814
  627    HB   THR  78           HB       THR  78 -12.701  17.203  -4.725
  628    HG1  THR  78           HG1      THR  78 -14.299  18.401  -3.273
  629   1HG2  THR  78          HG21      THR  78 -12.347  14.911  -3.884
  630   2HG2  THR  78          HG23      THR  78 -13.790  15.083  -2.888
  631   3HG2  THR  78          HG22      THR  78 -13.919  15.137  -4.645
   
  No H/Q in entry =         631
  Start of MODEL   13
    1   1H    MET   1           HT1      MET   1 -31.692  -3.819   2.953
    2   2H    MET   1           HT3      MET   1 -32.526  -3.496   1.483
    3   3H    MET   1           HT2      MET   1 -30.915  -4.102   1.441
    4    HA   MET   1           HA       MET   1 -30.809  -1.854   0.956
    5   1HB   MET   1           HB2      MET   1 -31.754  -0.176   2.585
    6   2HB   MET   1           HB3      MET   1 -32.952  -1.116   1.713
    7   1HG   MET   1           HG2      MET   1 -32.196  -2.266   4.306
    8   2HG   MET   1           HG3      MET   1 -32.937  -0.673   4.403
    9   1HE   MET   1           HE1      MET   1 -34.906  -0.140   2.699
   10   2HE   MET   1           HE2      MET   1 -36.355  -1.145   2.726
   11   3HE   MET   1           HE3      MET   1 -35.764  -0.413   4.220
   12    H    ARG   2           HN       ARG   2 -28.689  -2.721   1.340
   13    HA   ARG   2           HA       ARG   2 -27.554  -1.899   3.943
   14   1HB   ARG   2           HB2      ARG   2 -26.676  -4.230   2.216
   15   2HB   ARG   2           HB3      ARG   2 -25.846  -3.679   3.662
   16   1HG   ARG   2           HG2      ARG   2 -28.723  -4.449   3.870
   17   2HG   ARG   2           HG3      ARG   2 -27.505  -5.713   3.724
   18   1HD   ARG   2           HD2      ARG   2 -27.859  -5.386   6.040
   19   2HD   ARG   2           HD3      ARG   2 -26.302  -4.650   5.659
   20    HE   ARG   2           HE       ARG   2 -28.437  -2.750   5.524
   21   1HH1  ARG   2          HH12      ARG   2 -26.357  -4.455   7.762
   22   2HH1  ARG   2          HH11      ARG   2 -26.468  -3.235   8.996
   23   1HH2  ARG   2          HH22      ARG   2 -28.585  -1.133   7.151
   24   2HH2  ARG   2          HH21      ARG   2 -27.727  -1.354   8.652
   25    H    SER   3           HN       SER   3 -27.179   0.160   3.019
   26    HA   SER   3           HA       SER   3 -25.545   0.463   0.677
   27   1HB   SER   3           HB2      SER   3 -25.635   2.940   2.036
   28   2HB   SER   3           HB3      SER   3 -26.622   2.426   0.673
   29    HG   SER   3           HG       SER   3 -28.225   2.627   2.009
   30    H    SER   4           HN       SER   4 -24.919   0.246   4.102
   31    HA   SER   4           HA       SER   4 -22.306   1.487   3.970
   32   1HB   SER   4           HB2      SER   4 -23.580  -0.128   6.196
   33   2HB   SER   4           HB3      SER   4 -22.088   0.801   6.321
   34    HG   SER   4           HG       SER   4 -24.644   1.900   5.673
   35    H    ALA   5           HN       ALA   5 -21.224   0.269   2.390
   36    HA   ALA   5           HA       ALA   5 -20.807  -2.589   2.748
   37   1HB   ALA   5           HB3      ALA   5 -19.953  -0.597   0.670
   38   2HB   ALA   5           HB1      ALA   5 -19.220  -2.199   0.745
   39   3HB   ALA   5           HB2      ALA   5 -20.958  -2.034   0.491
   40    H    LYS   6           HN       LYS   6 -19.039   0.429   3.181
   41    HA   LYS   6           HA       LYS   6 -17.173   1.010   4.264
   42   1HB   LYS   6           HB2      LYS   6 -18.451  -0.787   5.890
   43   2HB   LYS   6           HB3      LYS   6 -16.846  -1.488   5.777
   44   1HG   LYS   6           HG2      LYS   6 -16.206   1.091   6.225
   45   2HG   LYS   6           HG3      LYS   6 -17.759   1.013   7.048
   46   1HD   LYS   6           HD2      LYS   6 -16.999  -0.776   8.463
   47   2HD   LYS   6           HD3      LYS   6 -15.491  -0.908   7.556
   48   1HE   LYS   6           HE2      LYS   6 -15.599   0.409   9.847
   49   2HE   LYS   6           HE3      LYS   6 -14.577   0.958   8.521
   50   1HZ   LYS   6           HZ3      LYS   6 -17.343   1.981   8.844
   51   2HZ   LYS   6           HZ2      LYS   6 -16.039   2.674   9.689
   52   3HZ   LYS   6           HZ1      LYS   6 -16.044   2.670   7.984
   53    H    GLN   7           HN       GLN   7 -16.904  -0.595   1.764
   54    HA   GLN   7           HA       GLN   7 -14.401  -2.038   2.107
   55   1HB   GLN   7           HB2      GLN   7 -16.285  -2.608   0.407
   56   2HB   GLN   7           HB3      GLN   7 -15.590  -1.314  -0.560
   57   1HG   GLN   7           HG2      GLN   7 -14.468  -3.105  -1.419
   58   2HG   GLN   7           HG3      GLN   7 -13.347  -2.618  -0.149
   59   1HE2  GLN   7          HE22      GLN   7 -13.785  -5.521   1.777
   60   2HE2  GLN   7          HE21      GLN   7 -13.219  -3.886   1.748
   61    H    GLU   8           HN       GLU   8 -15.363   1.193   1.548
   62    HA   GLU   8           HA       GLU   8 -13.049   2.076   0.082
   63   1HB   GLU   8           HB2      GLU   8 -14.890   3.771   1.770
   64   2HB   GLU   8           HB3      GLU   8 -13.882   4.296   0.433
   65   1HG   GLU   8           HG2      GLU   8 -15.492   3.903  -1.037
   66   2HG   GLU   8           HG3      GLU   8 -15.705   2.253  -0.463
   67    H    GLU   9           HN       GLU   9 -12.484   0.537   2.425
   68    HA   GLU   9           HA       GLU   9 -11.068   2.432   4.183
   69   1HB   GLU   9           HB2      GLU   9 -12.098  -0.360   4.704
   70   2HB   GLU   9           HB3      GLU   9 -10.937   0.434   5.761
   71   1HG   GLU   9           HG2      GLU   9 -13.626   1.595   5.077
   72   2HG   GLU   9           HG3      GLU   9 -13.326   0.577   6.485
   73    H    LEU  10           HN       LEU  10 -10.854  -0.397   2.144
   74    HA   LEU  10           HA       LEU  10  -8.276  -1.312   2.605
   75   1HB   LEU  10           HB2      LEU  10  -9.899  -2.430   1.124
   76   2HB   LEU  10           HB3      LEU  10  -9.748  -1.124  -0.037
   77    HG   LEU  10           HG       LEU  10  -7.426  -1.740  -0.468
   78   1HD1  LEU  10          HD13      LEU  10  -7.907  -3.865   1.611
   79   2HD1  LEU  10          HD11      LEU  10  -6.564  -3.888   0.471
   80   3HD1  LEU  10          HD12      LEU  10  -6.701  -2.580   1.640
   81   1HD2  LEU  10          HD22      LEU  10  -9.561  -2.959  -1.447
   82   2HD2  LEU  10          HD23      LEU  10  -7.922  -3.424  -1.896
   83   3HD2  LEU  10          HD21      LEU  10  -8.802  -4.350  -0.678
   84    H    VAL  11           HN       VAL  11  -9.356   1.564   0.942
   85    HA   VAL  11           HA       VAL  11  -6.824   2.181  -0.282
   86    HB   VAL  11           HB       VAL  11  -9.171   4.011   0.304
   87   1HG1  VAL  11          HG12      VAL  11  -6.525   4.485  -0.962
   88   2HG1  VAL  11          HG13      VAL  11  -7.934   5.209  -1.737
   89   3HG1  VAL  11          HG11      VAL  11  -7.562   5.586  -0.056
   90   1HG2  VAL  11          HG23      VAL  11  -8.398   2.356  -2.075
   91   2HG2  VAL  11          HG21      VAL  11  -9.933   2.401  -1.217
   92   3HG2  VAL  11          HG22      VAL  11  -9.446   3.761  -2.226
   93    H    LYS  12           HN       LYS  12  -8.443   3.268   2.756
   94    HA   LYS  12           HA       LYS  12  -6.398   5.047   3.574
   95   1HB   LYS  12           HB2      LYS  12  -8.378   3.454   5.215
   96   2HB   LYS  12           HB3      LYS  12  -7.248   4.595   5.926
   97   1HG   LYS  12           HG2      LYS  12  -8.860   6.107   5.668
   98   2HG   LYS  12           HG3      LYS  12  -8.431   6.091   3.954
   99   1HD   LYS  12           HD2      LYS  12 -10.057   4.284   3.602
  100   2HD   LYS  12           HD3      LYS  12 -10.532   4.399   5.294
  101   1HE   LYS  12           HE2      LYS  12 -10.745   7.007   4.399
  102   2HE   LYS  12           HE3      LYS  12 -11.291   6.066   3.014
  103   1HZ   LYS  12           HZ1      LYS  12 -12.518   4.944   5.233
  104   2HZ   LYS  12           HZ3      LYS  12 -12.647   6.628   5.441
  105   3HZ   LYS  12           HZ2      LYS  12 -13.248   5.897   4.027
  106    H    ALA  13           HN       ALA  13  -6.910   1.606   4.131
  107    HA   ALA  13           HA       ALA  13  -4.680   1.112   5.787
  108   1HB   ALA  13           HB1      ALA  13  -6.513  -0.480   5.584
  109   2HB   ALA  13           HB2      ALA  13  -6.090  -0.775   3.894
  110   3HB   ALA  13           HB3      ALA  13  -4.975  -1.243   5.179
  111    H    PHE  14           HN       PHE  14  -5.068   0.653   2.257
  112    HA   PHE  14           HA       PHE  14  -2.538  -0.263   1.645
  113   1HB   PHE  14           HB2      PHE  14  -4.589   0.024   0.096
  114   2HB   PHE  14           HB3      PHE  14  -3.991   1.647  -0.198
  115    HD1  PHE  14           HD2      PHE  14  -3.243  -1.955  -0.549
  116    HD2  PHE  14           HD1      PHE  14  -2.092   2.016  -1.579
  117    HE1  PHE  14           HE2      PHE  14  -1.691  -2.838  -2.231
  118    HE2  PHE  14           HE1      PHE  14  -0.538   1.126  -3.264
  119    HZ   PHE  14           HZ       PHE  14  -0.347  -1.295  -3.580
  120    H    LYS  15           HN       LYS  15  -3.558   3.156   1.297
  121    HA   LYS  15           HA       LYS  15  -1.106   4.278   0.769
  122   1HB   LYS  15           HB2      LYS  15  -3.249   5.605   2.468
  123   2HB   LYS  15           HB3      LYS  15  -2.098   6.389   1.391
  124   1HG   LYS  15           HG2      LYS  15  -4.079   4.444   0.291
  125   2HG   LYS  15           HG3      LYS  15  -4.581   6.086   0.669
  126   1HD   LYS  15           HD2      LYS  15  -2.097   5.972  -0.834
  127   2HD   LYS  15           HD3      LYS  15  -3.415   5.153  -1.662
  128   1HE   LYS  15           HE2      LYS  15  -3.245   7.551  -2.292
  129   2HE   LYS  15           HE3      LYS  15  -4.788   7.143  -1.544
  130   1HZ   LYS  15           HZ2      LYS  15  -3.746   7.970   0.612
  131   2HZ   LYS  15           HZ1      LYS  15  -2.525   8.654  -0.363
  132   3HZ   LYS  15           HZ3      LYS  15  -4.135   9.134  -0.560
  133    H    ALA  16           HN       ALA  16  -2.571   3.728   3.983
  134    HA   ALA  16           HA       ALA  16  -0.602   4.981   5.537
  135   1HB   ALA  16           HB1      ALA  16  -2.809   4.364   6.406
  136   2HB   ALA  16           HB2      ALA  16  -2.364   2.660   6.326
  137   3HB   ALA  16           HB3      ALA  16  -1.510   3.743   7.426
  138    H    LEU  17           HN       LEU  17  -0.924   1.521   4.673
  139    HA   LEU  17           HA       LEU  17   1.284   0.486   6.005
  140   1HB   LEU  17           HB2      LEU  17   0.070  -0.289   3.340
  141   2HB   LEU  17           HB3      LEU  17   1.330  -1.229   4.105
  142    HG   LEU  17           HG       LEU  17  -1.526  -0.885   4.926
  143   1HD1  LEU  17          HD13      LEU  17  -0.939  -2.738   3.474
  144   2HD1  LEU  17          HD11      LEU  17   0.276  -3.280   4.630
  145   3HD1  LEU  17          HD12      LEU  17  -1.432  -3.313   5.064
  146   1HD2  LEU  17          HD23      LEU  17   0.765  -1.616   6.726
  147   2HD2  LEU  17          HD21      LEU  17  -0.508  -0.425   6.988
  148   3HD2  LEU  17          HD22      LEU  17  -0.887  -2.145   7.039
  149    H    LEU  18           HN       LEU  18   1.134   1.905   2.766
  150    HA   LEU  18           HA       LEU  18   3.887   1.531   2.131
  151   1HB   LEU  18           HB2      LEU  18   1.940   3.538   1.010
  152   2HB   LEU  18           HB3      LEU  18   3.467   3.074   0.283
  153    HG   LEU  18           HG       LEU  18   1.308   1.044   0.768
  154   1HD1  LEU  18          HD12      LEU  18   1.129   3.322  -0.930
  155   2HD1  LEU  18          HD13      LEU  18   1.256   1.870  -1.929
  156   3HD1  LEU  18          HD11      LEU  18  -0.016   2.003  -0.715
  157   1HD2  LEU  18          HD22      LEU  18   3.583   1.221  -1.199
  158   2HD2  LEU  18          HD23      LEU  18   3.505   0.172   0.219
  159   3HD2  LEU  18          HD21      LEU  18   2.393  -0.077  -1.124
  160    H    LYS  19           HN       LYS  19   2.094   4.503   3.030
  161    HA   LYS  19           HA       LYS  19   4.248   6.234   3.069
  162   1HB   LYS  19           HB2      LYS  19   1.688   6.307   4.667
  163   2HB   LYS  19           HB3      LYS  19   2.850   7.627   4.654
  164   1HG   LYS  19           HG2      LYS  19   2.536   7.945   2.256
  165   2HG   LYS  19           HG3      LYS  19   1.460   6.528   2.210
  166   1HD   LYS  19           HD2      LYS  19   0.004   8.370   2.256
  167   2HD   LYS  19           HD3      LYS  19   0.011   7.756   3.910
  168   1HE   LYS  19           HE2      LYS  19   0.379   9.900   4.477
  169   2HE   LYS  19           HE3      LYS  19   2.047   9.549   4.033
  170   1HZ   LYS  19           HZ2      LYS  19   1.552  10.385   1.788
  171   2HZ   LYS  19           HZ1      LYS  19  -0.016  10.800   2.298
  172   3HZ   LYS  19           HZ3      LYS  19   1.333  11.570   2.988
  173    H    GLU  20           HN       GLU  20   3.464   3.807   5.442
  174    HA   GLU  20           HA       GLU  20   4.911   4.946   7.649
  175   1HB   GLU  20           HB2      GLU  20   3.742   2.242   7.057
  176   2HB   GLU  20           HB3      GLU  20   4.843   2.435   8.413
  177   1HG   GLU  20           HG2      GLU  20   3.346   4.223   9.296
  178   2HG   GLU  20           HG3      GLU  20   2.211   3.844   8.003
  179    H    GLU  21           HN       GLU  21   5.856   3.283   4.791
  180    HA   GLU  21           HA       GLU  21   7.856   2.664   3.933
  181   1HB   GLU  21           HB2      GLU  21   9.284   3.959   6.256
  182   2HB   GLU  21           HB3      GLU  21   9.807   3.810   4.582
  183   1HG   GLU  21           HG2      GLU  21   7.717   5.309   4.105
  184   2HG   GLU  21           HG3      GLU  21   7.877   5.733   5.805
  185    H    LYS  22           HN       LYS  22   7.150   0.477   4.501
  186    HA   LYS  22           HA       LYS  22   9.058  -0.848   6.307
  187   1HB   LYS  22           HB2      LYS  22   7.225  -0.756   7.752
  188   2HB   LYS  22           HB3      LYS  22   6.058  -0.939   6.453
  189   1HG   LYS  22           HG2      LYS  22   6.254  -3.234   6.410
  190   2HG   LYS  22           HG3      LYS  22   7.883  -3.215   7.086
  191   1HD   LYS  22           HD2      LYS  22   7.085  -2.783   9.267
  192   2HD   LYS  22           HD3      LYS  22   5.479  -2.352   8.677
  193   1HE   LYS  22           HE2      LYS  22   5.616  -4.604   9.762
  194   2HE   LYS  22           HE3      LYS  22   4.991  -4.625   8.114
  195   1HZ   LYS  22           HZ2      LYS  22   7.871  -5.007   8.446
  196   2HZ   LYS  22           HZ1      LYS  22   6.858  -6.286   8.941
  197   3HZ   LYS  22           HZ3      LYS  22   6.796  -5.720   7.335
  198    H    PHE  23           HN       PHE  23   6.321  -1.644   4.153
  199    HA   PHE  23           HA       PHE  23   7.345  -4.187   3.434
  200   1HB   PHE  23           HB2      PHE  23   5.278  -2.555   1.953
  201   2HB   PHE  23           HB3      PHE  23   5.454  -4.313   1.954
  202    HD1  PHE  23           HD1      PHE  23   5.038  -5.594   4.046
  203    HD2  PHE  23           HD2      PHE  23   4.100  -1.456   3.723
  204    HE1  PHE  23           HE1      PHE  23   3.610  -5.769   6.036
  205    HE2  PHE  23           HE2      PHE  23   2.675  -1.625   5.715
  206    HZ   PHE  23           HZ       PHE  23   2.415  -3.781   6.872
  207    H    SER  24           HN       SER  24   8.704  -4.799   1.883
  208    HA   SER  24           HA       SER  24   9.855  -2.790   0.117
  209   1HB   SER  24           HB2      SER  24  11.231  -5.183  -0.337
  210   2HB   SER  24           HB3      SER  24  11.735  -3.866   0.712
  211    HG   SER  24           HG       SER  24  10.100  -6.050   1.536
  212    H    SER  25           HN       SER  25   7.854  -5.641  -0.128
  213    HA   SER  25           HA       SER  25   7.680  -5.221  -3.043
  214   1HB   SER  25           HB2      SER  25   7.318  -7.853  -3.074
  215   2HB   SER  25           HB3      SER  25   8.934  -7.160  -3.122
  216    HG   SER  25           HG       SER  25   8.412  -7.375  -0.590
  217    H    GLN  26           HN       GLN  26   5.756  -6.431  -3.970
  218    HA   GLN  26           HA       GLN  26   3.366  -5.395  -2.893
  219   1HB   GLN  26           HB2      GLN  26   3.439  -7.725  -4.788
  220   2HB   GLN  26           HB3      GLN  26   2.260  -6.459  -4.666
  221   1HG   GLN  26           HG2      GLN  26   3.378  -5.042  -5.984
  222   2HG   GLN  26           HG3      GLN  26   4.949  -5.524  -5.362
  223   1HE2  GLN  26          HE22      GLN  26   4.705  -6.515  -8.919
  224   2HE2  GLN  26          HE21      GLN  26   4.586  -5.036  -8.020
  225    H    GLY  27           HN       GLY  27   4.319  -8.814  -3.201
  226   1HA   GLY  27           HA1      GLY  27   2.318 -10.109  -1.893
  227   2HA   GLY  27           HA2      GLY  27   3.982 -10.641  -1.824
  228    H    GLU  28           HN       GLU  28   4.933  -8.381  -0.259
  229    HA   GLU  28           HA       GLU  28   4.412  -9.372   2.347
  230   1HB   GLU  28           HB2      GLU  28   5.750  -6.781   1.524
  231   2HB   GLU  28           HB3      GLU  28   5.840  -7.527   3.115
  232   1HG   GLU  28           HG2      GLU  28   6.958  -9.474   2.145
  233   2HG   GLU  28           HG3      GLU  28   6.874  -8.731   0.551
  234    H    ILE  29           HN       ILE  29   3.268  -6.446   0.631
  235    HA   ILE  29           HA       ILE  29   1.727  -5.567   2.912
  236    HB   ILE  29           HB       ILE  29   2.028  -3.636   1.913
  237   1HG1  ILE  29          HG12      ILE  29   0.001  -4.518  -0.143
  238   2HG1  ILE  29          HG13      ILE  29  -0.384  -3.893   1.462
  239   1HG2  ILE  29          HG22      ILE  29   3.672  -4.621   0.359
  240   2HG2  ILE  29          HG23      ILE  29   2.374  -4.874  -0.804
  241   3HG2  ILE  29          HG21      ILE  29   2.810  -3.246  -0.314
  242   1HD1  ILE  29          HD13      ILE  29   1.218  -1.928   0.533
  243   2HD1  ILE  29          HD11      ILE  29   0.462  -2.475  -0.966
  244   3HD1  ILE  29          HD12      ILE  29  -0.538  -1.937   0.385
  245    H    VAL  30           HN       VAL  30   1.209  -7.671   0.206
  246    HA   VAL  30           HA       VAL  30  -1.625  -7.715   0.121
  247    HB   VAL  30           HB       VAL  30   0.308  -9.991  -0.421
  248   1HG1  VAL  30          HG12      VAL  30  -2.633  -9.712  -0.906
  249   2HG1  VAL  30          HG13      VAL  30  -1.638 -10.798  -1.874
  250   3HG1  VAL  30          HG11      VAL  30  -1.761 -11.030  -0.131
  251   1HG2  VAL  30          HG21      VAL  30   0.299  -7.742  -1.821
  252   2HG2  VAL  30          HG22      VAL  30   0.500  -9.312  -2.586
  253   3HG2  VAL  30          HG23      VAL  30  -1.070  -8.528  -2.599
  254    H    ALA  31           HN       ALA  31   0.734  -9.631   1.978
  255    HA   ALA  31           HA       ALA  31  -1.149 -11.164   3.451
  256   1HB   ALA  31           HB3      ALA  31   1.739 -10.490   4.036
  257   2HB   ALA  31           HB1      ALA  31   0.786 -11.673   4.934
  258   3HB   ALA  31           HB2      ALA  31   1.128 -11.932   3.222
  259    H    ALA  32           HN       ALA  32   0.610  -8.155   4.199
  260    HA   ALA  32           HA       ALA  32  -0.106  -7.771   6.831
  261   1HB   ALA  32           HB2      ALA  32   1.510  -6.386   5.615
  262   2HB   ALA  32           HB3      ALA  32   0.187  -5.601   4.754
  263   3HB   ALA  32           HB1      ALA  32   0.337  -5.411   6.504
  264    H    LEU  33           HN       LEU  33  -1.975  -6.672   3.972
  265    HA   LEU  33           HA       LEU  33  -4.046  -5.461   5.474
  266   1HB   LEU  33           HB2      LEU  33  -4.207  -6.535   2.663
  267   2HB   LEU  33           HB3      LEU  33  -5.334  -5.408   3.409
  268    HG   LEU  33           HG       LEU  33  -2.430  -4.673   3.192
  269   1HD1  LEU  33          HD11      LEU  33  -4.482  -4.373   1.015
  270   2HD1  LEU  33          HD12      LEU  33  -2.893  -3.614   1.036
  271   3HD1  LEU  33          HD13      LEU  33  -3.031  -5.367   0.950
  272   1HD2  LEU  33          HD23      LEU  33  -4.998  -3.094   3.199
  273   2HD2  LEU  33          HD21      LEU  33  -3.874  -3.266   4.547
  274   3HD2  LEU  33          HD22      LEU  33  -3.376  -2.412   3.088
  275    H    GLN  34           HN       GLN  34  -3.496  -8.804   4.564
  276    HA   GLN  34           HA       GLN  34  -6.179  -9.676   5.073
  277   1HB   GLN  34           HB2      GLN  34  -3.570 -11.195   4.936
  278   2HB   GLN  34           HB3      GLN  34  -5.126 -11.967   5.196
  279   1HG   GLN  34           HG2      GLN  34  -5.913 -11.361   3.062
  280   2HG   GLN  34           HG3      GLN  34  -4.603 -10.209   2.815
  281   1HE2  GLN  34          HE22      GLN  34  -3.587 -12.940   0.729
  282   2HE2  GLN  34          HE21      GLN  34  -4.649 -11.578   0.755
  283    H    GLU  35           HN       GLU  35  -3.471  -8.903   7.065
  284    HA   GLU  35           HA       GLU  35  -4.515 -10.226   9.452
  285   1HB   GLU  35           HB2      GLU  35  -2.196  -8.295   9.162
  286   2HB   GLU  35           HB3      GLU  35  -2.579  -9.249  10.588
  287   1HG   GLU  35           HG2      GLU  35  -1.990 -11.273   9.510
  288   2HG   GLU  35           HG3      GLU  35  -1.907 -10.489   7.935
  289    H    GLN  36           HN       GLN  36  -4.545  -7.127   7.872
  290    HA   GLN  36           HA       GLN  36  -5.315  -5.502  10.088
  291   1HB   GLN  36           HB2      GLN  36  -5.515  -5.118   7.095
  292   2HB   GLN  36           HB3      GLN  36  -6.013  -3.887   8.242
  293   1HG   GLN  36           HG2      GLN  36  -3.405  -4.703   8.988
  294   2HG   GLN  36           HG3      GLN  36  -3.390  -4.504   7.241
  295   1HE2  GLN  36          HE22      GLN  36  -3.069  -1.317   9.528
  296   2HE2  GLN  36          HE21      GLN  36  -2.817  -2.952  10.043
  297    H    GLY  37           HN       GLY  37  -7.204  -6.650   7.279
  298   1HA   GLY  37           HA1      GLY  37  -9.374  -7.734   8.488
  299   2HA   GLY  37           HA2      GLY  37  -9.715  -6.012   8.575
  300    H    PHE  38           HN       PHE  38  -8.072  -7.734   5.944
  301    HA   PHE  38           HA       PHE  38 -10.403  -7.219   4.205
  302   1HB   PHE  38           HB2      PHE  38  -7.516  -6.805   3.398
  303   2HB   PHE  38           HB3      PHE  38  -8.948  -6.475   2.424
  304    HD1  PHE  38           HD1      PHE  38 -10.379  -4.554   2.946
  305    HD2  PHE  38           HD2      PHE  38  -6.819  -5.297   5.148
  306    HE1  PHE  38           HE1      PHE  38 -10.461  -2.270   3.859
  307    HE2  PHE  38           HE2      PHE  38  -6.893  -3.024   6.056
  308    HZ   PHE  38           HZ       PHE  38  -8.710  -1.512   5.415
  309    H    ASP  39           HN       ASP  39 -11.150  -9.168   3.717
  310    HA   ASP  39           HA       ASP  39  -9.274 -11.400   3.216
  311   1HB   ASP  39           HB2      ASP  39 -12.242 -11.350   3.823
  312   2HB   ASP  39           HB3      ASP  39 -11.365 -12.816   3.413
  313    H    ASN  40           HN       ASN  40  -9.735  -9.368   1.232
  314    HA   ASN  40           HA       ASN  40 -10.370 -11.078  -0.991
  315   1HB   ASN  40           HB2      ASN  40 -11.873  -9.272  -2.048
  316   2HB   ASN  40           HB3      ASN  40 -12.581 -10.298  -0.812
  317   1HD2  ASN  40          HD22      ASN  40 -13.272  -7.703   1.412
  318   2HD2  ASN  40          HD21      ASN  40 -13.200  -9.410   1.142
  319    H    ILE  41           HN       ILE  41  -7.982 -10.539  -0.614
  320    HA   ILE  41           HA       ILE  41  -7.226  -8.401  -2.478
  321    HB   ILE  41           HB       ILE  41  -6.798  -8.404   0.417
  322   1HG1  ILE  41          HG12      ILE  41  -7.673  -6.602  -1.354
  323   2HG1  ILE  41          HG13      ILE  41  -6.929  -6.137   0.171
  324   1HG2  ILE  41          HG21      ILE  41  -4.361  -8.051  -1.306
  325   2HG2  ILE  41          HG22      ILE  41  -4.510  -7.427   0.332
  326   3HG2  ILE  41          HG23      ILE  41  -4.595  -9.163   0.047
  327   1HD1  ILE  41          HD11      ILE  41  -5.413  -6.373  -2.411
  328   2HD1  ILE  41          HD12      ILE  41  -6.132  -4.878  -1.815
  329   3HD1  ILE  41          HD13      ILE  41  -4.860  -5.671  -0.891
  330    H    ASN  42           HN       ASN  42  -5.449  -8.871  -3.698
  331    HA   ASN  42           HA       ASN  42  -3.760 -11.156  -3.029
  332   1HB   ASN  42           HB2      ASN  42  -4.005 -12.234  -5.197
  333   2HB   ASN  42           HB3      ASN  42  -5.578 -12.110  -4.425
  334   1HD2  ASN  42          HD22      ASN  42  -6.138 -11.258  -7.905
  335   2HD2  ASN  42          HD21      ASN  42  -5.706 -12.634  -6.955
  336    H    GLN  43           HN       GLN  43  -1.984 -11.364  -4.831
  337    HA   GLN  43           HA       GLN  43  -0.388  -9.104  -4.731
  338   1HB   GLN  43           HB2      GLN  43   0.213 -11.566  -5.272
  339   2HB   GLN  43           HB3      GLN  43  -0.097 -11.122  -6.944
  340   1HG   GLN  43           HG2      GLN  43   1.617  -9.380  -6.810
  341   2HG   GLN  43           HG3      GLN  43   1.912  -9.800  -5.124
  342   1HE2  GLN  43          HE22      GLN  43   2.904 -12.712  -7.821
  343   2HE2  GLN  43          HE21      GLN  43   1.373 -11.915  -7.902
  344    H    SER  44           HN       SER  44  -2.615 -10.071  -7.321
  345    HA   SER  44           HA       SER  44  -1.784  -8.206  -9.248
  346   1HB   SER  44           HB2      SER  44  -4.660  -9.052  -9.141
  347   2HB   SER  44           HB3      SER  44  -3.558  -8.970 -10.512
  348    HG   SER  44           HG       SER  44  -3.875 -11.116 -10.072
  349    H    LYS  45           HN       LYS  45  -4.348  -7.994  -6.790
  350    HA   LYS  45           HA       LYS  45  -5.253  -5.398  -7.518
  351   1HB   LYS  45           HB2      LYS  45  -6.090  -7.354  -5.752
  352   2HB   LYS  45           HB3      LYS  45  -5.540  -6.091  -4.667
  353   1HG   LYS  45           HG2      LYS  45  -7.374  -4.889  -5.025
  354   2HG   LYS  45           HG3      LYS  45  -7.171  -4.979  -6.774
  355   1HD   LYS  45           HD2      LYS  45  -8.417  -6.965  -6.940
  356   2HD   LYS  45           HD3      LYS  45  -8.286  -7.292  -5.210
  357   1HE   LYS  45           HE2      LYS  45 -10.538  -6.456  -6.060
  358   2HE   LYS  45           HE3      LYS  45  -9.854  -5.633  -4.661
  359   1HZ   LYS  45           HZ3      LYS  45  -9.601  -4.639  -7.452
  360   2HZ   LYS  45           HZ2      LYS  45 -10.795  -4.123  -6.355
  361   3HZ   LYS  45           HZ1      LYS  45  -9.156  -3.824  -6.020
  362    H    VAL  46           HN       VAL  46  -2.675  -6.544  -5.458
  363    HA   VAL  46           HA       VAL  46  -2.112  -4.045  -4.171
  364    HB   VAL  46           HB       VAL  46  -0.671  -6.675  -4.303
  365   1HG1  VAL  46          HG13      VAL  46   1.055  -4.908  -4.180
  366   2HG1  VAL  46          HG11      VAL  46   0.244  -4.246  -2.761
  367   3HG1  VAL  46          HG12      VAL  46   0.960  -5.852  -2.702
  368   1HG2  VAL  46          HG23      VAL  46  -2.403  -5.205  -2.365
  369   2HG2  VAL  46          HG21      VAL  46  -2.397  -6.912  -2.796
  370   3HG2  VAL  46          HG22      VAL  46  -1.158  -6.269  -1.724
  371    H    SER  47           HN       SER  47  -0.656  -5.791  -6.939
  372    HA   SER  47           HA       SER  47   1.357  -3.833  -7.428
  373   1HB   SER  47           HB2      SER  47   1.383  -4.961  -9.759
  374   2HB   SER  47           HB3      SER  47   1.809  -5.940  -8.359
  375    HG   SER  47           HG       SER  47  -0.116  -6.968  -8.452
  376    H    ARG  48           HN       ARG  48  -1.967  -4.255  -8.530
  377    HA   ARG  48           HA       ARG  48  -1.932  -2.157 -10.477
  378   1HB   ARG  48           HB2      ARG  48  -4.135  -3.625  -9.034
  379   2HB   ARG  48           HB3      ARG  48  -4.493  -2.260 -10.079
  380   1HG   ARG  48           HG2      ARG  48  -2.759  -4.067 -11.467
  381   2HG   ARG  48           HG3      ARG  48  -4.128  -4.959 -10.807
  382   1HD   ARG  48           HD2      ARG  48  -4.442  -2.409 -12.390
  383   2HD   ARG  48           HD3      ARG  48  -4.422  -3.998 -13.147
  384    HE   ARG  48           HE       ARG  48  -6.592  -2.783 -11.732
  385   1HH1  ARG  48          HH12      ARG  48  -5.134  -5.861 -12.519
  386   2HH1  ARG  48          HH11      ARG  48  -6.621  -6.755 -12.327
  387   1HH2  ARG  48          HH22      ARG  48  -8.526  -3.931 -11.490
  388   2HH2  ARG  48          HH21      ARG  48  -8.552  -5.656 -11.751
  389    H    MET  49           HN       MET  49  -2.912  -2.321  -7.049
  390    HA   MET  49           HA       MET  49  -3.740   0.377  -6.826
  391   1HB   MET  49           HB2      MET  49  -2.978  -1.740  -4.845
  392   2HB   MET  49           HB3      MET  49  -3.148  -0.080  -4.297
  393   1HG   MET  49           HG2      MET  49  -5.430  -0.020  -5.153
  394   2HG   MET  49           HG3      MET  49  -5.275  -1.687  -5.694
  395   1HE   MET  49           HE2      MET  49  -7.248  -0.090  -3.992
  396   2HE   MET  49           HE3      MET  49  -7.764  -1.201  -2.721
  397   3HE   MET  49           HE1      MET  49  -6.758   0.190  -2.320
  398    H    LEU  50           HN       LEU  50  -0.569  -1.167  -6.465
  399    HA   LEU  50           HA       LEU  50   0.845   1.003  -5.357
  400   1HB   LEU  50           HB2      LEU  50   1.605  -1.450  -6.886
  401   2HB   LEU  50           HB3      LEU  50   2.810  -0.176  -6.757
  402    HG   LEU  50           HG       LEU  50   1.457  -1.100  -4.268
  403   1HD1  LEU  50          HD13      LEU  50   3.676  -2.609  -5.638
  404   2HD1  LEU  50          HD11      LEU  50   3.103  -2.894  -3.993
  405   3HD1  LEU  50          HD12      LEU  50   2.034  -3.190  -5.360
  406   1HD2  LEU  50          HD21      LEU  50   4.095   0.076  -4.992
  407   2HD2  LEU  50          HD22      LEU  50   2.887   0.637  -3.834
  408   3HD2  LEU  50          HD23      LEU  50   3.867  -0.778  -3.467
  409    H    THR  51           HN       THR  51   0.348   0.093  -8.779
  410    HA   THR  51           HA       THR  51   1.707   2.424  -9.780
  411    HB   THR  51           HB       THR  51  -0.091   0.429 -11.184
  412    HG1  THR  51           HG1      THR  51   2.683   0.579 -10.665
  413   1HG2  THR  51          HG21      THR  51   1.678   2.581 -12.310
  414   2HG2  THR  51          HG23      THR  51   1.186   1.161 -13.231
  415   3HG2  THR  51          HG22      THR  51  -0.032   2.287 -12.630
  416    H    LYS  52           HN       LYS  52  -1.665   1.590  -9.145
  417    HA   LYS  52           HA       LYS  52  -2.891   3.774 -10.460
  418   1HB   LYS  52           HB2      LYS  52  -4.162   1.802  -9.738
  419   2HB   LYS  52           HB3      LYS  52  -3.833   2.183  -8.057
  420   1HG   LYS  52           HG2      LYS  52  -5.123   4.368  -9.521
  421   2HG   LYS  52           HG3      LYS  52  -6.085   2.892  -9.447
  422   1HD   LYS  52           HD2      LYS  52  -5.706   2.865  -6.965
  423   2HD   LYS  52           HD3      LYS  52  -4.962   4.456  -7.120
  424   1HE   LYS  52           HE2      LYS  52  -7.807   3.705  -7.788
  425   2HE   LYS  52           HE3      LYS  52  -7.266   4.714  -6.448
  426   1HZ   LYS  52           HZ1      LYS  52  -6.441   6.337  -8.064
  427   2HZ   LYS  52           HZ3      LYS  52  -7.038   5.377  -9.339
  428   3HZ   LYS  52           HZ2      LYS  52  -8.117   6.078  -8.226
  429    H    PHE  53           HN       PHE  53  -1.961   3.328  -7.042
  430    HA   PHE  53           HA       PHE  53  -2.712   5.987  -6.277
  431   1HB   PHE  53           HB2      PHE  53  -1.222   3.761  -4.887
  432   2HB   PHE  53           HB3      PHE  53  -1.398   5.343  -4.150
  433    HD1  PHE  53           HD1      PHE  53  -4.079   6.173  -4.620
  434    HD2  PHE  53           HD2      PHE  53  -2.615   2.242  -3.916
  435    HE1  PHE  53           HE1      PHE  53  -6.282   5.503  -3.762
  436    HE2  PHE  53           HE2      PHE  53  -4.802   1.568  -3.056
  437    HZ   PHE  53           HZ       PHE  53  -6.648   3.196  -2.983
  438    H    GLY  54           HN       GLY  54   0.255   4.513  -7.423
  439   1HA   GLY  54           HA1      GLY  54   2.063   5.673  -8.363
  440   2HA   GLY  54           HA2      GLY  54   1.489   7.157  -7.623
  441    H    ALA  55           HN       ALA  55   2.503   3.937  -6.471
  442    HA   ALA  55           HA       ALA  55   3.768   5.037  -4.127
  443   1HB   ALA  55           HB3      ALA  55   2.645   2.867  -4.035
  444   2HB   ALA  55           HB1      ALA  55   3.805   2.215  -5.196
  445   3HB   ALA  55           HB2      ALA  55   4.348   2.727  -3.594
  446    H    VAL  56           HN       VAL  56   5.914   5.134  -3.639
  447    HA   VAL  56           HA       VAL  56   7.863   4.657  -5.810
  448    HB   VAL  56           HB       VAL  56   9.055   6.666  -5.253
  449   1HG1  VAL  56          HG12      VAL  56   6.844   6.683  -6.646
  450   2HG1  VAL  56          HG13      VAL  56   6.231   7.645  -5.296
  451   3HG1  VAL  56          HG11      VAL  56   7.630   8.207  -6.216
  452   1HG2  VAL  56          HG23      VAL  56   7.129   6.865  -2.948
  453   2HG2  VAL  56          HG21      VAL  56   8.892   6.985  -2.942
  454   3HG2  VAL  56          HG22      VAL  56   7.916   8.302  -3.598
  455    H    ARG  57           HN       ARG  57   9.744   3.672  -5.223
  456    HA   ARG  57           HA       ARG  57   9.887   2.624  -2.501
  457   1HB   ARG  57           HB2      ARG  57  11.475   1.996  -5.008
  458   2HB   ARG  57           HB3      ARG  57  11.818   1.284  -3.442
  459   1HG   ARG  57           HG2      ARG  57   9.465   0.445  -3.403
  460   2HG   ARG  57           HG3      ARG  57   9.343   0.949  -5.089
  461   1HD   ARG  57           HD2      ARG  57   9.872  -1.441  -4.862
  462   2HD   ARG  57           HD3      ARG  57  11.153  -0.556  -5.694
  463    HE   ARG  57           HE       ARG  57  11.790  -0.636  -2.972
  464   1HH1  ARG  57          HH12      ARG  57  11.419  -2.889  -5.626
  465   2HH1  ARG  57          HH11      ARG  57  12.568  -4.032  -4.977
  466   1HH2  ARG  57          HH22      ARG  57  13.279  -2.118  -2.125
  467   2HH2  ARG  57          HH21      ARG  57  13.617  -3.594  -2.982
  468    H    THR  58           HN       THR  58  11.313   3.269  -0.971
  469    HA   THR  58           HA       THR  58  13.762   4.626  -1.661
  470    HB   THR  58           HB       THR  58  11.874   6.403  -1.774
  471    HG1  THR  58           HG1      THR  58  13.960   7.076  -1.774
  472   1HG2  THR  58          HG22      THR  58  10.938   5.656   0.508
  473   2HG2  THR  58          HG21      THR  58  12.237   6.642   1.177
  474   3HG2  THR  58          HG23      THR  58  11.026   7.373   0.124
  475    H    ARG  59           HN       ARG  59  14.756   5.583   0.505
  476    HA   ARG  59           HA       ARG  59  15.092   3.344   2.224
  477   1HB   ARG  59           HB2      ARG  59  16.330   5.997   1.847
  478   2HB   ARG  59           HB3      ARG  59  16.403   5.377   3.482
  479   1HG   ARG  59           HG2      ARG  59  17.259   3.198   2.276
  480   2HG   ARG  59           HG3      ARG  59  17.685   4.341   1.006
  481   1HD   ARG  59           HD2      ARG  59  18.481   4.896   3.840
  482   2HD   ARG  59           HD3      ARG  59  19.408   3.749   2.881
  483    HE   ARG  59           HE       ARG  59  20.157   5.474   1.519
  484   1HH1  ARG  59          HH12      ARG  59  17.836   6.683   3.853
  485   2HH1  ARG  59          HH11      ARG  59  18.208   8.354   3.556
  486   1HH2  ARG  59          HH22      ARG  59  20.669   7.655   1.145
  487   2HH2  ARG  59          HH21      ARG  59  19.818   8.905   2.015
  488    H    ASN  60           HN       ASN  60  14.395   2.971   4.283
  489    HA   ASN  60           HA       ASN  60  12.430   4.853   5.417
  490   1HB   ASN  60           HB2      ASN  60  11.420   2.993   6.562
  491   2HB   ASN  60           HB3      ASN  60  11.634   2.551   4.876
  492   1HD2  ASN  60          HD22      ASN  60  12.588  -0.386   6.813
  493   2HD2  ASN  60          HD21      ASN  60  11.162   0.538   6.483
  494    H    ALA  61           HN       ALA  61  12.412   3.728   8.036
  495    HA   ALA  61           HA       ALA  61  14.280   5.326   9.346
  496   1HB   ALA  61           HB1      ALA  61  12.185   4.564  10.347
  497   2HB   ALA  61           HB2      ALA  61  12.833   2.926  10.461
  498   3HB   ALA  61           HB3      ALA  61  13.567   4.234  11.390
  499    H    LYS  62           HN       LYS  62  14.604   1.968   8.314
  500    HA   LYS  62           HA       LYS  62  17.237   1.831   9.643
  501   1HB   LYS  62           HB2      LYS  62  15.348  -0.350   8.782
  502   2HB   LYS  62           HB3      LYS  62  17.032  -0.655   9.191
  503   1HG   LYS  62           HG2      LYS  62  16.642  -0.563  11.383
  504   2HG   LYS  62           HG3      LYS  62  15.668   0.901  11.239
  505   1HD   LYS  62           HD2      LYS  62  14.410  -1.585  10.249
  506   2HD   LYS  62           HD3      LYS  62  14.685  -1.501  11.990
  507   1HE   LYS  62           HE2      LYS  62  13.499   0.669  12.044
  508   2HE   LYS  62           HE3      LYS  62  13.174   0.509  10.318
  509   1HZ   LYS  62           HZ3      LYS  62  11.925  -1.512  10.777
  510   2HZ   LYS  62           HZ2      LYS  62  12.222  -1.343  12.445
  511   3HZ   LYS  62           HZ1      LYS  62  11.278  -0.182  11.626
  512    H    MET  63           HN       MET  63  16.598   3.121   7.036
  513    HA   MET  63           HA       MET  63  17.645   3.452   5.063
  514   1HB   MET  63           HB2      MET  63  19.734   1.391   5.709
  515   2HB   MET  63           HB3      MET  63  19.910   2.927   4.891
  516   1HG   MET  63           HG2      MET  63  19.580   2.449   7.817
  517   2HG   MET  63           HG3      MET  63  20.972   3.123   6.979
  518   1HE   MET  63           HE3      MET  63  19.684   4.140   9.509
  519   2HE   MET  63           HE1      MET  63  20.747   5.430   8.951
  520   3HE   MET  63           HE2      MET  63  19.074   5.786   9.374
  521    H    GLU  64           HN       GLU  64  15.797   0.978   5.462
  522    HA   GLU  64           HA       GLU  64  16.662  -0.819   3.352
  523   1HB   GLU  64           HB2      GLU  64  13.921  -0.726   4.629
  524   2HB   GLU  64           HB3      GLU  64  14.685  -2.077   3.807
  525   1HG   GLU  64           HG2      GLU  64  16.314  -2.258   5.627
  526   2HG   GLU  64           HG3      GLU  64  15.531  -0.913   6.453
  527    H    MET  65           HN       MET  65  16.046  -0.771   1.246
  528    HA   MET  65           HA       MET  65  14.587   1.525   0.244
  529   1HB   MET  65           HB2      MET  65  15.818  -0.876  -1.124
  530   2HB   MET  65           HB3      MET  65  14.978   0.403  -1.990
  531   1HG   MET  65           HG2      MET  65  17.413   0.806  -0.258
  532   2HG   MET  65           HG3      MET  65  17.429   0.652  -2.012
  533   1HE   MET  65           HE1      MET  65  16.825   2.480  -3.669
  534   2HE   MET  65           HE2      MET  65  15.140   2.333  -3.182
  535   3HE   MET  65           HE3      MET  65  15.893   3.924  -3.283
  536    H    VAL  66           HN       VAL  66  12.570   1.109   1.317
  537    HA   VAL  66           HA       VAL  66  10.991  -1.149   0.278
  538    HB   VAL  66           HB       VAL  66   9.484  -0.728   2.210
  539   1HG1  VAL  66          HG11      VAL  66  12.394  -1.309   2.669
  540   2HG1  VAL  66          HG12      VAL  66  11.236  -1.344   3.995
  541   3HG1  VAL  66          HG13      VAL  66  11.031  -2.428   2.618
  542   1HG2  VAL  66          HG22      VAL  66  11.437   1.480   2.748
  543   2HG2  VAL  66          HG23      VAL  66   9.674   1.521   2.765
  544   3HG2  VAL  66          HG21      VAL  66  10.552   0.714   4.065
  545    H    TYR  67           HN       TYR  67   8.604  -0.715   0.177
  546    HA   TYR  67           HA       TYR  67   8.066   1.330  -1.737
  547   1HB   TYR  67           HB2      TYR  67   6.467  -0.854  -0.446
  548   2HB   TYR  67           HB3      TYR  67   5.597   0.474  -1.192
  549    HD1  TYR  67           HD1      TYR  67   7.359   1.004  -3.544
  550    HD2  TYR  67           HD2      TYR  67   5.911  -2.638  -1.884
  551    HE1  TYR  67           HE1      TYR  67   7.532  -0.039  -5.741
  552    HE2  TYR  67           HE2      TYR  67   6.044  -3.713  -4.094
  553    HH   TYR  67           HH       TYR  67   6.030  -2.880  -6.570
  554    H    CYS  68           HN       CYS  68   7.169   3.260  -1.481
  555    HA   CYS  68           HA       CYS  68   5.930   3.997   1.077
  556   1HB   CYS  68           HB2      CYS  68   8.073   5.599  -0.357
  557   2HB   CYS  68           HB3      CYS  68   7.181   6.136   1.051
  558    HG   CYS  68           HG       CYS  68   9.085   5.189   2.272
  559    H    LEU  69           HN       LEU  69   4.680   6.013   0.899
  560    HA   LEU  69           HA       LEU  69   3.582   6.345  -1.817
  561   1HB   LEU  69           HB2      LEU  69   2.221   5.491   0.427
  562   2HB   LEU  69           HB3      LEU  69   1.866   7.201   0.389
  563    HG   LEU  69           HG       LEU  69   0.328   5.485  -0.795
  564   1HD1  LEU  69          HD12      LEU  69   0.925   8.256  -1.279
  565   2HD1  LEU  69          HD13      LEU  69   0.105   7.456  -2.630
  566   3HD1  LEU  69          HD11      LEU  69  -0.613   7.447  -1.018
  567   1HD2  LEU  69          HD21      LEU  69   2.353   4.710  -2.195
  568   2HD2  LEU  69          HD22      LEU  69   0.747   4.811  -2.912
  569   3HD2  LEU  69          HD23      LEU  69   1.917   6.087  -3.202
  570    HA   PRO  70           HA       PRO  70   4.739  10.628  -1.624
  571   1HB   PRO  70           HB2      PRO  70   2.193  11.226  -3.009
  572   2HB   PRO  70           HB3      PRO  70   3.852  11.530  -3.521
  573   1HG   PRO  70           HG2      PRO  70   2.277   9.596  -4.603
  574   2HG   PRO  70           HG3      PRO  70   4.043   9.489  -4.533
  575   1HD   PRO  70           HD2      PRO  70   2.004   8.049  -2.922
  576   2HD   PRO  70           HD3      PRO  70   3.647   7.581  -3.381
  577    H    ALA  71           HN       ALA  71   3.136  12.771  -1.532
  578    HA   ALA  71           HA       ALA  71   2.073  12.856   1.149
  579   1HB   ALA  71           HB2      ALA  71   3.421  14.695   0.149
  580   2HB   ALA  71           HB3      ALA  71   2.075  15.029  -0.936
  581   3HB   ALA  71           HB1      ALA  71   1.872  15.217   0.808
  582    H    GLU  72           HN       GLU  72   0.106  14.946   0.197
  583    HA   GLU  72           HA       GLU  72  -2.227  13.345   0.206
  584   1HB   GLU  72           HB2      GLU  72  -2.521  16.095  -0.852
  585   2HB   GLU  72           HB3      GLU  72  -3.368  15.284   0.452
  586   1HG   GLU  72           HG2      GLU  72  -1.311  15.631   1.870
  587   2HG   GLU  72           HG3      GLU  72  -0.701  16.664   0.574
  588    H    LEU  73           HN       LEU  73  -2.378  11.920  -1.481
  589    HA   LEU  73           HA       LEU  73  -3.123  12.906  -4.071
  590   1HB   LEU  73           HB2      LEU  73  -0.566  12.858  -4.053
  591   2HB   LEU  73           HB3      LEU  73  -0.691  11.116  -3.926
  592    HG   LEU  73           HG       LEU  73  -1.802  11.002  -6.095
  593   1HD1  LEU  73          HD11      LEU  73  -1.811  13.973  -5.845
  594   2HD1  LEU  73          HD12      LEU  73  -1.702  13.239  -7.444
  595   3HD1  LEU  73          HD13      LEU  73  -3.075  12.881  -6.404
  596   1HD2  LEU  73          HD23      LEU  73   0.875  12.097  -5.710
  597   2HD2  LEU  73          HD21      LEU  73   0.329  10.768  -6.733
  598   3HD2  LEU  73          HD22      LEU  73   0.210  12.431  -7.308
  599    H    GLY  74           HN       GLY  74  -4.556  11.530  -4.952
  600   1HA   GLY  74           HA1      GLY  74  -5.587   9.515  -5.496
  601   2HA   GLY  74           HA2      GLY  74  -4.469   8.671  -4.443
  602    H    VAL  75           HN       VAL  75  -6.578  11.382  -3.565
  603    HA   VAL  75           HA       VAL  75  -8.331   9.592  -2.044
  604    HB   VAL  75           HB       VAL  75  -7.293  12.059  -0.668
  605   1HG1  VAL  75          HG21      VAL  75  -9.349  10.790   0.092
  606   2HG1  VAL  75          HG22      VAL  75  -8.263   9.469   0.516
  607   3HG1  VAL  75          HG23      VAL  75  -8.094  11.036   1.308
  608   1HG2  VAL  75          HG13      VAL  75  -6.018   9.327  -0.606
  609   2HG2  VAL  75          HG11      VAL  75  -5.269  10.845  -1.100
  610   3HG2  VAL  75          HG12      VAL  75  -5.717  10.587   0.585
  611    HA   PRO  76           HA       PRO  76 -11.084  12.648  -3.904
  612   1HB   PRO  76           HB2      PRO  76 -13.378  11.301  -3.622
  613   2HB   PRO  76           HB3      PRO  76 -12.132  10.754  -4.746
  614   1HG   PRO  76           HG2      PRO  76 -12.747   9.761  -1.983
  615   2HG   PRO  76           HG3      PRO  76 -12.411   8.831  -3.457
  616   1HD   PRO  76           HD2      PRO  76 -10.538   9.368  -1.516
  617   2HD   PRO  76           HD3      PRO  76 -10.144   9.039  -3.213
  618    H    THR  77           HN       THR  77 -10.200  13.438  -1.436
  619    HA   THR  77           HA       THR  77 -12.343  14.960  -0.426
  620    HB   THR  77           HB       THR  77 -13.189  12.971   0.637
  621    HG1  THR  77           HG1      THR  77 -11.797  14.662   2.407
  622   1HG2  THR  77          HG21      THR  77 -10.365  12.375   1.428
  623   2HG2  THR  77          HG23      THR  77 -11.715  11.770   2.389
  624   3HG2  THR  77          HG22      THR  77 -11.576  11.325   0.688
  625    H    THR  78           HN       THR  78 -10.040  15.844  -1.299
  626    HA   THR  78           HA       THR  78  -8.779  17.027   1.023
  627    HB   THR  78           HB       THR  78  -6.443  16.424   0.051
  628    HG1  THR  78           HG1      THR  78  -7.056  15.449  -1.855
  629   1HG2  THR  78          HG22      THR  78  -7.602  15.433   2.160
  630   2HG2  THR  78          HG21      THR  78  -7.731  13.980   1.166
  631   3HG2  THR  78          HG23      THR  78  -6.149  14.687   1.504
   
  No H/Q in entry =         631
  Start of MODEL   14
    1   1H    MET   1           HT3      MET   1 -17.644  -7.113  17.027
    2   2H    MET   1           HT2      MET   1 -16.739  -7.173  18.489
    3   3H    MET   1           HT1      MET   1 -18.292  -7.905  18.409
    4    HA   MET   1           HA       MET   1 -18.929  -6.052  19.376
    5   1HB   MET   1           HB2      MET   1 -16.382  -4.951  18.219
    6   2HB   MET   1           HB3      MET   1 -17.603  -3.834  18.814
    7   1HG   MET   1           HG2      MET   1 -16.922  -6.022  20.654
    8   2HG   MET   1           HG3      MET   1 -15.618  -4.891  20.311
    9   1HE   MET   1           HE3      MET   1 -19.020  -5.541  21.885
   10   2HE   MET   1           HE1      MET   1 -19.547  -3.972  22.499
   11   3HE   MET   1           HE2      MET   1 -19.617  -4.312  20.769
   12    H    ARG   2           HN       ARG   2 -17.689  -4.212  16.648
   13    HA   ARG   2           HA       ARG   2 -20.268  -4.385  15.254
   14   1HB   ARG   2           HB2      ARG   2 -19.007  -1.693  15.799
   15   2HB   ARG   2           HB3      ARG   2 -20.607  -2.035  15.159
   16   1HG   ARG   2           HG2      ARG   2 -21.333  -2.855  17.321
   17   2HG   ARG   2           HG3      ARG   2 -19.709  -2.624  17.973
   18   1HD   ARG   2           HD2      ARG   2 -19.908  -0.190  17.445
   19   2HD   ARG   2           HD3      ARG   2 -21.585  -0.474  16.985
   20    HE   ARG   2           HE       ARG   2 -22.158  -0.584  19.199
   21   1HH1  ARG   2          HH12      ARG   2 -18.671  -0.817  18.929
   22   2HH1  ARG   2          HH11      ARG   2 -18.400  -0.666  20.642
   23   1HH2  ARG   2          HH22      ARG   2 -21.815  -0.400  21.443
   24   2HH2  ARG   2          HH21      ARG   2 -20.191  -0.436  22.074
   25    H    SER   3           HN       SER   3 -19.842  -4.864  13.203
   26    HA   SER   3           HA       SER   3 -17.225  -4.288  12.042
   27   1HB   SER   3           HB2      SER   3 -19.600  -5.811  10.913
   28   2HB   SER   3           HB3      SER   3 -18.022  -5.665  10.136
   29    HG   SER   3           HG       SER   3 -17.738  -7.488  11.202
   30    H    SER   4           HN       SER   4 -17.092  -2.174  11.522
   31    HA   SER   4           HA       SER   4 -19.050  -1.080   9.594
   32   1HB   SER   4           HB2      SER   4 -18.239   1.199  10.754
   33   2HB   SER   4           HB3      SER   4 -19.609   0.277  11.361
   34    HG   SER   4           HG       SER   4 -18.562   0.178  13.159
   35    H    ALA   5           HN       ALA   5 -17.849  -1.437   7.793
   36    HA   ALA   5           HA       ALA   5 -15.690   0.363   7.263
   37   1HB   ALA   5           HB1      ALA   5 -15.064  -2.563   7.640
   38   2HB   ALA   5           HB2      ALA   5 -14.040  -1.486   6.690
   39   3HB   ALA   5           HB3      ALA   5 -14.294  -1.173   8.405
   40    H    LYS   6           HN       LYS   6 -16.044   0.973   5.251
   41    HA   LYS   6           HA       LYS   6 -17.447  -0.710   3.321
   42   1HB   LYS   6           HB2      LYS   6 -16.165   1.934   2.652
   43   2HB   LYS   6           HB3      LYS   6 -17.597   1.189   1.953
   44   1HG   LYS   6           HG2      LYS   6 -18.719   1.574   4.199
   45   2HG   LYS   6           HG3      LYS   6 -17.337   2.601   4.589
   46   1HD   LYS   6           HD2      LYS   6 -18.043   3.532   2.111
   47   2HD   LYS   6           HD3      LYS   6 -19.610   3.101   2.798
   48   1HE   LYS   6           HE2      LYS   6 -19.294   5.338   3.421
   49   2HE   LYS   6           HE3      LYS   6 -18.884   4.416   4.866
   50   1HZ   LYS   6           HZ1      LYS   6 -16.826   5.329   2.925
   51   2HZ   LYS   6           HZ3      LYS   6 -17.330   6.281   4.242
   52   3HZ   LYS   6           HZ2      LYS   6 -16.594   4.774   4.518
   53    H    GLN   7           HN       GLN   7 -16.056   0.040   0.949
   54    HA   GLN   7           HA       GLN   7 -13.673  -1.632   1.240
   55   1HB   GLN   7           HB2      GLN   7 -15.388  -1.780  -0.723
   56   2HB   GLN   7           HB3      GLN   7 -14.462  -0.435  -1.383
   57   1HG   GLN   7           HG2      GLN   7 -13.259  -2.127  -2.289
   58   2HG   GLN   7           HG3      GLN   7 -12.427  -2.002  -0.736
   59   1HE2  GLN   7          HE22      GLN   7 -13.556  -5.105   0.486
   60   2HE2  GLN   7          HE21      GLN   7 -12.934  -3.549   0.912
   61    H    GLU   8           HN       GLU   8 -14.451   1.651   1.271
   62    HA   GLU   8           HA       GLU   8 -12.048   2.760   0.199
   63   1HB   GLU   8           HB2      GLU   8 -13.794   4.048   2.306
   64   2HB   GLU   8           HB3      GLU   8 -12.797   4.837   1.092
   65   1HG   GLU   8           HG2      GLU   8 -14.295   3.987  -0.665
   66   2HG   GLU   8           HG3      GLU   8 -15.316   3.262   0.577
   67    H    GLU   9           HN       GLU   9 -12.347   0.721   2.687
   68    HA   GLU   9           HA       GLU   9 -10.556   2.017   4.611
   69   1HB   GLU   9           HB2      GLU   9 -12.361  -0.337   4.662
   70   2HB   GLU   9           HB3      GLU   9 -10.866  -0.525   5.563
   71   1HG   GLU   9           HG2      GLU   9 -12.741   0.275   6.937
   72   2HG   GLU   9           HG3      GLU   9 -11.369   1.375   6.929
   73    H    LEU  10           HN       LEU  10 -10.663  -0.600   2.264
   74    HA   LEU  10           HA       LEU  10  -8.051  -1.629   2.672
   75   1HB   LEU  10           HB2      LEU  10  -9.567  -2.975   1.445
   76   2HB   LEU  10           HB3      LEU  10  -9.972  -1.675   0.345
   77    HG   LEU  10           HG       LEU  10  -7.683  -1.851  -0.634
   78   1HD1  LEU  10          HD13      LEU  10  -7.476  -4.138   1.308
   79   2HD1  LEU  10          HD11      LEU  10  -6.462  -4.001  -0.127
   80   3HD1  LEU  10          HD12      LEU  10  -6.391  -2.760   1.123
   81   1HD2  LEU  10          HD23      LEU  10  -9.532  -4.212  -0.653
   82   2HD2  LEU  10          HD21      LEU  10  -9.360  -2.932  -1.850
   83   3HD2  LEU  10          HD22      LEU  10  -8.094  -4.144  -1.670
   84    H    VAL  11           HN       VAL  11  -9.381   1.007   0.752
   85    HA   VAL  11           HA       VAL  11  -6.955   1.649  -0.637
   86    HB   VAL  11           HB       VAL  11  -9.566   3.118  -0.243
   87   1HG1  VAL  11          HG13      VAL  11  -7.017   4.172  -1.310
   88   2HG1  VAL  11          HG11      VAL  11  -8.469   4.508  -2.253
   89   3HG1  VAL  11          HG12      VAL  11  -8.378   5.010  -0.567
   90   1HG2  VAL  11          HG23      VAL  11  -8.261   1.680  -2.540
   91   2HG2  VAL  11          HG21      VAL  11  -9.790   1.312  -1.744
   92   3HG2  VAL  11          HG22      VAL  11  -9.643   2.753  -2.749
   93    H    LYS  12           HN       LYS  12  -8.597   3.130   2.218
   94    HA   LYS  12           HA       LYS  12  -6.579   5.078   2.634
   95   1HB   LYS  12           HB2      LYS  12  -8.331   5.854   3.768
   96   2HB   LYS  12           HB3      LYS  12  -9.024   4.257   3.973
   97   1HG   LYS  12           HG2      LYS  12  -6.729   5.153   5.679
   98   2HG   LYS  12           HG3      LYS  12  -8.392   5.612   6.055
   99   1HD   LYS  12           HD2      LYS  12  -8.001   2.787   5.405
  100   2HD   LYS  12           HD3      LYS  12  -7.204   3.308   6.884
  101   1HE   LYS  12           HE2      LYS  12 -10.125   3.663   6.211
  102   2HE   LYS  12           HE3      LYS  12  -9.471   2.453   7.311
  103   1HZ   LYS  12           HZ3      LYS  12  -8.520   4.521   8.528
  104   2HZ   LYS  12           HZ2      LYS  12  -9.743   5.359   7.682
  105   3HZ   LYS  12           HZ1      LYS  12 -10.154   4.085   8.734
  106    H    ALA  13           HN       ALA  13  -6.991   1.796   3.795
  107    HA   ALA  13           HA       ALA  13  -4.818   1.808   5.644
  108   1HB   ALA  13           HB3      ALA  13  -6.579   0.137   5.798
  109   2HB   ALA  13           HB1      ALA  13  -6.129  -0.514   4.222
  110   3HB   ALA  13           HB2      ALA  13  -5.013  -0.640   5.582
  111    H    PHE  14           HN       PHE  14  -5.148   0.911   2.221
  112    HA   PHE  14           HA       PHE  14  -2.632  -0.164   1.735
  113   1HB   PHE  14           HB2      PHE  14  -4.592  -0.055   0.128
  114   2HB   PHE  14           HB3      PHE  14  -4.131   1.596  -0.232
  115    HD1  PHE  14           HD1      PHE  14  -3.218  -1.946  -0.492
  116    HD2  PHE  14           HD2      PHE  14  -2.188   2.044  -1.576
  117    HE1  PHE  14           HE1      PHE  14  -1.638  -2.810  -2.159
  118    HE2  PHE  14           HE2      PHE  14  -0.598   1.175  -3.254
  119    HZ   PHE  14           HZ       PHE  14  -0.335  -1.245  -3.536
  120    H    LYS  15           HN       LYS  15  -3.637   3.263   1.428
  121    HA   LYS  15           HA       LYS  15  -1.146   4.310   0.713
  122   1HB   LYS  15           HB2      LYS  15  -3.577   5.476   1.973
  123   2HB   LYS  15           HB3      LYS  15  -2.106   6.434   1.937
  124   1HG   LYS  15           HG2      LYS  15  -2.444   6.981  -0.174
  125   2HG   LYS  15           HG3      LYS  15  -2.514   5.290  -0.645
  126   1HD   LYS  15           HD2      LYS  15  -4.716   5.295  -0.846
  127   2HD   LYS  15           HD3      LYS  15  -4.948   6.090   0.701
  128   1HE   LYS  15           HE2      LYS  15  -4.931   7.226  -2.024
  129   2HE   LYS  15           HE3      LYS  15  -5.851   7.723  -0.605
  130   1HZ   LYS  15           HZ2      LYS  15  -3.248   8.373  -0.001
  131   2HZ   LYS  15           HZ1      LYS  15  -3.448   8.830  -1.626
  132   3HZ   LYS  15           HZ3      LYS  15  -4.502   9.430  -0.441
  133    H    ALA  16           HN       ALA  16  -2.609   3.880   3.913
  134    HA   ALA  16           HA       ALA  16  -0.611   5.053   5.484
  135   1HB   ALA  16           HB1      ALA  16  -2.881   4.486   6.284
  136   2HB   ALA  16           HB2      ALA  16  -2.433   2.781   6.283
  137   3HB   ALA  16           HB3      ALA  16  -1.611   3.910   7.360
  138    H    LEU  17           HN       LEU  17  -1.023   1.649   4.502
  139    HA   LEU  17           HA       LEU  17   1.098   0.489   5.896
  140   1HB   LEU  17           HB2      LEU  17  -0.076  -0.169   3.190
  141   2HB   LEU  17           HB3      LEU  17   1.140  -1.168   3.950
  142    HG   LEU  17           HG       LEU  17  -1.735  -0.852   4.603
  143   1HD1  LEU  17          HD13      LEU  17   0.205  -3.146   4.530
  144   2HD1  LEU  17          HD11      LEU  17  -1.481  -3.292   5.019
  145   3HD1  LEU  17          HD12      LEU  17  -1.080  -2.781   3.380
  146   1HD2  LEU  17          HD23      LEU  17   0.377  -1.415   6.664
  147   2HD2  LEU  17          HD21      LEU  17  -0.897  -0.196   6.710
  148   3HD2  LEU  17          HD22      LEU  17  -1.304  -1.904   6.844
  149    H    LEU  18           HN       LEU  18   1.075   1.934   2.661
  150    HA   LEU  18           HA       LEU  18   3.830   1.485   2.102
  151   1HB   LEU  18           HB2      LEU  18   2.009   3.609   0.958
  152   2HB   LEU  18           HB3      LEU  18   3.523   3.062   0.266
  153    HG   LEU  18           HG       LEU  18   1.244   1.136   0.667
  154   1HD1  LEU  18          HD11      LEU  18   1.404   3.392  -1.197
  155   2HD1  LEU  18          HD12      LEU  18   1.091   1.831  -1.958
  156   3HD1  LEU  18          HD13      LEU  18   0.021   2.425  -0.690
  157   1HD2  LEU  18          HD21      LEU  18   3.547   0.324   0.121
  158   2HD2  LEU  18          HD22      LEU  18   2.314  -0.096  -1.071
  159   3HD2  LEU  18          HD23      LEU  18   3.429   1.229  -1.397
  160    H    LYS  19           HN       LYS  19   2.100   4.418   3.155
  161    HA   LYS  19           HA       LYS  19   4.310   6.119   3.273
  162   1HB   LYS  19           HB2      LYS  19   1.680   6.224   4.750
  163   2HB   LYS  19           HB3      LYS  19   2.860   7.529   4.756
  164   1HG   LYS  19           HG2      LYS  19   2.627   7.884   2.413
  165   2HG   LYS  19           HG3      LYS  19   1.671   6.410   2.220
  166   1HD   LYS  19           HD2      LYS  19  -0.112   7.757   2.360
  167   2HD   LYS  19           HD3      LYS  19   0.212   7.780   4.093
  168   1HE   LYS  19           HE2      LYS  19   1.272   9.773   2.087
  169   2HE   LYS  19           HE3      LYS  19  -0.110  10.041   3.146
  170   1HZ   LYS  19           HZ2      LYS  19   1.534   9.569   5.026
  171   2HZ   LYS  19           HZ1      LYS  19   2.757   9.826   3.867
  172   3HZ   LYS  19           HZ3      LYS  19   1.642  11.062   4.222
  173    H    GLU  20           HN       GLU  20   3.446   3.606   5.477
  174    HA   GLU  20           HA       GLU  20   4.779   4.635   7.802
  175   1HB   GLU  20           HB2      GLU  20   3.886   1.865   6.995
  176   2HB   GLU  20           HB3      GLU  20   4.744   2.165   8.497
  177   1HG   GLU  20           HG2      GLU  20   2.467   3.949   8.130
  178   2HG   GLU  20           HG3      GLU  20   2.011   2.249   8.125
  179    H    GLU  21           HN       GLU  21   5.881   3.214   4.858
  180    HA   GLU  21           HA       GLU  21   7.910   2.613   4.039
  181   1HB   GLU  21           HB2      GLU  21   9.039   4.056   6.453
  182   2HB   GLU  21           HB3      GLU  21   9.915   3.635   4.989
  183   1HG   GLU  21           HG2      GLU  21   8.555   5.154   3.685
  184   2HG   GLU  21           HG3      GLU  21   7.573   5.525   5.099
  185    H    LYS  22           HN       LYS  22   7.096   0.426   4.693
  186    HA   LYS  22           HA       LYS  22   9.048  -0.898   6.457
  187   1HB   LYS  22           HB2      LYS  22   7.059  -0.521   7.812
  188   2HB   LYS  22           HB3      LYS  22   6.043  -1.227   6.570
  189   1HG   LYS  22           HG2      LYS  22   6.286  -3.244   7.439
  190   2HG   LYS  22           HG3      LYS  22   8.040  -3.136   7.307
  191   1HD   LYS  22           HD2      LYS  22   8.133  -3.140   9.526
  192   2HD   LYS  22           HD3      LYS  22   7.397  -1.542   9.515
  193   1HE   LYS  22           HE2      LYS  22   5.755  -4.057   9.414
  194   2HE   LYS  22           HE3      LYS  22   6.285  -3.351  10.934
  195   1HZ   LYS  22           HZ1      LYS  22   4.643  -1.944   8.894
  196   2HZ   LYS  22           HZ3      LYS  22   4.040  -2.674  10.307
  197   3HZ   LYS  22           HZ2      LYS  22   5.092  -1.340  10.418
  198    H    PHE  23           HN       PHE  23   6.361  -1.480   4.193
  199    HA   PHE  23           HA       PHE  23   7.207  -4.137   3.589
  200   1HB   PHE  23           HB2      PHE  23   5.205  -2.424   2.092
  201   2HB   PHE  23           HB3      PHE  23   5.338  -4.190   2.066
  202    HD1  PHE  23           HD1      PHE  23   5.230  -5.352   4.403
  203    HD2  PHE  23           HD2      PHE  23   3.738  -1.446   3.643
  204    HE1  PHE  23           HE1      PHE  23   3.825  -5.509   6.409
  205    HE2  PHE  23           HE2      PHE  23   2.331  -1.598   5.654
  206    HZ   PHE  23           HZ       PHE  23   2.371  -3.631   7.040
  207    H    SER  24           HN       SER  24   8.445  -4.910   2.049
  208    HA   SER  24           HA       SER  24   9.753  -3.042   0.215
  209   1HB   SER  24           HB2      SER  24  11.394  -4.932  -0.095
  210   2HB   SER  24           HB3      SER  24  11.293  -4.282   1.535
  211    HG   SER  24           HG       SER  24   9.638  -6.122   1.761
  212    H    SER  25           HN       SER  25   7.573  -5.761   0.118
  213    HA   SER  25           HA       SER  25   7.568  -5.571  -2.822
  214   1HB   SER  25           HB2      SER  25   7.281  -8.018  -2.991
  215   2HB   SER  25           HB3      SER  25   8.819  -7.594  -2.245
  216    HG   SER  25           HG       SER  25   8.198  -8.464  -0.413
  217    H    GLN  26           HN       GLN  26   5.624  -6.648  -3.768
  218    HA   GLN  26           HA       GLN  26   3.222  -5.474  -2.836
  219   1HB   GLN  26           HB2      GLN  26   3.214  -7.874  -4.632
  220   2HB   GLN  26           HB3      GLN  26   2.272  -6.416  -4.709
  221   1HG   GLN  26           HG2      GLN  26   4.490  -5.242  -5.278
  222   2HG   GLN  26           HG3      GLN  26   5.070  -6.872  -5.626
  223   1HE2  GLN  26          HE22      GLN  26   3.399  -5.008  -8.559
  224   2HE2  GLN  26          HE21      GLN  26   4.334  -4.363  -7.255
  225    H    GLY  27           HN       GLY  27   4.129  -8.902  -3.033
  226   1HA   GLY  27           HA1      GLY  27   2.046 -10.048  -1.628
  227   2HA   GLY  27           HA2      GLY  27   3.659 -10.724  -1.697
  228    H    GLU  28           HN       GLU  28   4.719  -8.257  -0.238
  229    HA   GLU  28           HA       GLU  28   4.444  -9.314   2.410
  230   1HB   GLU  28           HB2      GLU  28   6.454  -8.020   1.299
  231   2HB   GLU  28           HB3      GLU  28   5.613  -6.601   1.899
  232   1HG   GLU  28           HG2      GLU  28   5.773  -7.381   4.157
  233   2HG   GLU  28           HG3      GLU  28   6.383  -8.944   3.629
  234    H    ILE  29           HN       ILE  29   3.211  -6.411   0.731
  235    HA   ILE  29           HA       ILE  29   1.791  -5.503   3.076
  236    HB   ILE  29           HB       ILE  29   1.920  -3.565   2.059
  237   1HG1  ILE  29          HG12      ILE  29   0.048  -4.596  -0.074
  238   2HG1  ILE  29          HG13      ILE  29  -0.437  -3.929   1.484
  239   1HG2  ILE  29          HG22      ILE  29   3.709  -4.425   0.647
  240   2HG2  ILE  29          HG23      ILE  29   2.520  -4.913  -0.559
  241   3HG2  ILE  29          HG21      ILE  29   2.748  -3.211  -0.189
  242   1HD1  ILE  29          HD13      ILE  29   1.135  -1.930   0.525
  243   2HD1  ILE  29          HD11      ILE  29   0.430  -2.570  -0.961
  244   3HD1  ILE  29          HD12      ILE  29  -0.616  -2.013   0.345
  245    H    VAL  30           HN       VAL  30   1.177  -7.695   0.491
  246    HA   VAL  30           HA       VAL  30  -1.658  -7.794   0.527
  247    HB   VAL  30           HB       VAL  30   0.422  -9.904  -0.100
  248   1HG1  VAL  30          HG13      VAL  30  -2.502 -10.208   0.189
  249   2HG1  VAL  30          HG11      VAL  30  -1.755 -10.983  -1.204
  250   3HG1  VAL  30          HG12      VAL  30  -1.211 -11.379   0.427
  251   1HG2  VAL  30          HG21      VAL  30  -0.048  -7.882  -1.631
  252   2HG2  VAL  30          HG22      VAL  30   0.011  -9.493  -2.341
  253   3HG2  VAL  30          HG23      VAL  30  -1.545  -8.731  -2.022
  254    H    ALA  31           HN       ALA  31   0.792  -9.757   2.242
  255    HA   ALA  31           HA       ALA  31  -0.983 -11.166   3.911
  256   1HB   ALA  31           HB1      ALA  31   1.346 -11.853   3.517
  257   2HB   ALA  31           HB2      ALA  31   1.906 -10.478   4.467
  258   3HB   ALA  31           HB3      ALA  31   0.967 -11.756   5.235
  259    H    ALA  32           HN       ALA  32   0.676  -8.059   4.364
  260    HA   ALA  32           HA       ALA  32   0.070  -7.608   7.065
  261   1HB   ALA  32           HB2      ALA  32   1.680  -6.287   5.708
  262   2HB   ALA  32           HB3      ALA  32   0.312  -5.486   4.934
  263   3HB   ALA  32           HB1      ALA  32   0.577  -5.301   6.668
  264    H    LEU  33           HN       LEU  33  -1.833  -6.757   4.153
  265    HA   LEU  33           HA       LEU  33  -3.925  -5.466   5.614
  266   1HB   LEU  33           HB2      LEU  33  -3.986  -6.627   2.823
  267   2HB   LEU  33           HB3      LEU  33  -5.217  -5.574   3.515
  268    HG   LEU  33           HG       LEU  33  -2.377  -4.631   3.335
  269   1HD1  LEU  33          HD12      LEU  33  -3.069  -5.464   1.089
  270   2HD1  LEU  33          HD13      LEU  33  -4.398  -4.306   1.135
  271   3HD1  LEU  33          HD11      LEU  33  -2.731  -3.737   1.160
  272   1HD2  LEU  33          HD21      LEU  33  -5.066  -3.275   3.378
  273   2HD2  LEU  33          HD22      LEU  33  -3.856  -3.286   4.660
  274   3HD2  LEU  33          HD23      LEU  33  -3.531  -2.438   3.148
  275    H    GLN  34           HN       GLN  34  -3.343  -8.810   4.595
  276    HA   GLN  34           HA       GLN  34  -5.916  -9.815   5.245
  277   1HB   GLN  34           HB2      GLN  34  -3.227 -11.188   5.134
  278   2HB   GLN  34           HB3      GLN  34  -4.739 -12.039   5.415
  279   1HG   GLN  34           HG2      GLN  34  -5.247 -10.536   3.140
  280   2HG   GLN  34           HG3      GLN  34  -3.585 -11.052   2.928
  281   1HE2  GLN  34          HE22      GLN  34  -4.820 -13.911   1.454
  282   2HE2  GLN  34          HE21      GLN  34  -3.919 -12.449   1.293
  283    H    GLU  35           HN       GLU  35  -3.078  -9.120   7.203
  284    HA   GLU  35           HA       GLU  35  -4.041 -10.367   9.610
  285   1HB   GLU  35           HB2      GLU  35  -1.951  -8.213   9.174
  286   2HB   GLU  35           HB3      GLU  35  -2.282  -8.973  10.724
  287   1HG   GLU  35           HG2      GLU  35  -1.747 -11.183   9.517
  288   2HG   GLU  35           HG3      GLU  35  -1.031 -10.159   8.278
  289    H    GLN  36           HN       GLN  36  -4.357  -7.216   8.092
  290    HA   GLN  36           HA       GLN  36  -5.451  -5.816  10.322
  291   1HB   GLN  36           HB2      GLN  36  -5.375  -5.297   7.362
  292   2HB   GLN  36           HB3      GLN  36  -6.287  -4.259   8.433
  293   1HG   GLN  36           HG2      GLN  36  -3.703  -4.588   9.560
  294   2HG   GLN  36           HG3      GLN  36  -3.496  -4.235   7.847
  295   1HE2  GLN  36          HE22      GLN  36  -3.954  -0.848   8.351
  296   2HE2  GLN  36          HE21      GLN  36  -3.216  -2.150   7.489
  297    H    GLY  37           HN       GLY  37  -7.080  -6.865   7.305
  298   1HA   GLY  37           HA1      GLY  37  -9.182  -8.269   8.365
  299   2HA   GLY  37           HA2      GLY  37  -9.693  -6.595   8.488
  300    H    PHE  38           HN       PHE  38  -7.746  -7.989   5.885
  301    HA   PHE  38           HA       PHE  38 -10.043  -7.733   4.037
  302   1HB   PHE  38           HB2      PHE  38  -7.241  -6.890   3.263
  303   2HB   PHE  38           HB3      PHE  38  -8.746  -6.632   2.394
  304    HD1  PHE  38           HD1      PHE  38  -6.657  -5.479   5.177
  305    HD2  PHE  38           HD2      PHE  38 -10.234  -4.843   2.969
  306    HE1  PHE  38           HE1      PHE  38  -6.876  -3.263   6.188
  307    HE2  PHE  38           HE2      PHE  38 -10.461  -2.617   3.985
  308    HZ   PHE  38           HZ       PHE  38  -8.770  -1.830   5.590
  309    H    ASP  39           HN       ASP  39 -10.398  -9.801   3.464
  310    HA   ASP  39           HA       ASP  39  -8.138 -11.612   3.048
  311   1HB   ASP  39           HB2      ASP  39 -10.156 -12.243   4.491
  312   2HB   ASP  39           HB3      ASP  39 -11.058 -12.379   2.986
  313    H    ASN  40           HN       ASN  40 -10.632 -10.041   1.345
  314    HA   ASN  40           HA       ASN  40 -10.341 -11.533  -1.100
  315   1HB   ASN  40           HB2      ASN  40 -12.502 -10.457  -0.337
  316   2HB   ASN  40           HB3      ASN  40 -11.787  -8.895  -0.718
  317   1HD2  ASN  40          HD22      ASN  40 -13.327  -9.227  -3.831
  318   2HD2  ASN  40          HD21      ASN  40 -13.306  -8.425  -2.297
  319    H    ILE  41           HN       ILE  41  -7.866 -10.635  -0.380
  320    HA   ILE  41           HA       ILE  41  -7.271  -8.475  -2.312
  321    HB   ILE  41           HB       ILE  41  -6.324  -8.885   0.467
  322   1HG1  ILE  41          HG12      ILE  41  -6.159  -6.473   0.426
  323   2HG1  ILE  41          HG13      ILE  41  -6.281  -6.454  -1.330
  324   1HG2  ILE  41          HG22      ILE  41  -4.369  -8.036  -1.673
  325   2HG2  ILE  41          HG23      ILE  41  -4.135  -7.813   0.059
  326   3HG2  ILE  41          HG21      ILE  41  -4.236  -9.439  -0.611
  327   1HD1  ILE  41          HD13      ILE  41  -8.501  -7.640   0.242
  328   2HD1  ILE  41          HD11      ILE  41  -8.333  -5.890   0.169
  329   3HD1  ILE  41          HD12      ILE  41  -8.524  -6.817  -1.318
  330    H    ASN  42           HN       ASN  42  -5.659  -8.814  -3.754
  331    HA   ASN  42           HA       ASN  42  -4.149 -11.340  -3.656
  332   1HB   ASN  42           HB2      ASN  42  -4.534 -11.735  -6.068
  333   2HB   ASN  42           HB3      ASN  42  -6.017 -11.824  -5.133
  334   1HD2  ASN  42          HD22      ASN  42  -7.618  -9.261  -6.846
  335   2HD2  ASN  42          HD21      ASN  42  -7.661 -10.415  -5.560
  336    H    GLN  43           HN       GLN  43  -2.291 -11.359  -5.195
  337    HA   GLN  43           HA       GLN  43  -0.622  -9.168  -4.807
  338   1HB   GLN  43           HB2      GLN  43  -0.105 -11.647  -5.486
  339   2HB   GLN  43           HB3      GLN  43  -0.161 -11.019  -7.125
  340   1HG   GLN  43           HG2      GLN  43   1.508  -9.238  -6.200
  341   2HG   GLN  43           HG3      GLN  43   1.776 -10.429  -4.926
  342   1HE2  GLN  43          HE22      GLN  43   3.397 -12.762  -7.036
  343   2HE2  GLN  43          HE21      GLN  43   2.437 -12.587  -5.610
  344    H    SER  44           HN       SER  44  -2.511 -10.002  -7.709
  345    HA   SER  44           HA       SER  44  -1.558  -8.039  -9.440
  346   1HB   SER  44           HB2      SER  44  -4.396  -8.536  -9.796
  347   2HB   SER  44           HB3      SER  44  -3.059  -8.890 -10.858
  348    HG   SER  44           HG       SER  44  -4.294 -10.746 -10.048
  349    H    LYS  45           HN       LYS  45  -4.367  -7.917  -7.289
  350    HA   LYS  45           HA       LYS  45  -5.182  -5.286  -7.813
  351   1HB   LYS  45           HB2      LYS  45  -6.341  -7.177  -6.464
  352   2HB   LYS  45           HB3      LYS  45  -5.447  -6.552  -5.088
  353   1HG   LYS  45           HG2      LYS  45  -6.796  -4.767  -4.864
  354   2HG   LYS  45           HG3      LYS  45  -6.921  -4.512  -6.607
  355   1HD   LYS  45           HD2      LYS  45  -8.501  -6.425  -6.732
  356   2HD   LYS  45           HD3      LYS  45  -8.431  -6.555  -4.973
  357   1HE   LYS  45           HE2      LYS  45  -9.200  -4.147  -4.890
  358   2HE   LYS  45           HE3      LYS  45  -9.502  -4.274  -6.622
  359   1HZ   LYS  45           HZ2      LYS  45 -10.674  -6.442  -5.174
  360   2HZ   LYS  45           HZ1      LYS  45 -11.241  -4.935  -4.622
  361   3HZ   LYS  45           HZ3      LYS  45 -11.393  -5.352  -6.268
  362    H    VAL  46           HN       VAL  46  -2.776  -6.520  -5.558
  363    HA   VAL  46           HA       VAL  46  -2.250  -4.071  -4.180
  364    HB   VAL  46           HB       VAL  46  -0.806  -6.698  -4.375
  365   1HG1  VAL  46          HG11      VAL  46   0.097  -4.304  -2.775
  366   2HG1  VAL  46          HG12      VAL  46   0.755  -5.934  -2.667
  367   3HG1  VAL  46          HG13      VAL  46   0.948  -5.015  -4.150
  368   1HG2  VAL  46          HG23      VAL  46  -2.656  -5.345  -2.518
  369   2HG2  VAL  46          HG21      VAL  46  -2.456  -7.055  -2.877
  370   3HG2  VAL  46          HG22      VAL  46  -1.347  -6.251  -1.771
  371    H    SER  47           HN       SER  47  -0.909  -5.627  -7.060
  372    HA   SER  47           HA       SER  47   1.179  -3.697  -7.464
  373   1HB   SER  47           HB2      SER  47   1.000  -6.080  -8.437
  374   2HB   SER  47           HB3      SER  47  -0.054  -5.368  -9.651
  375    HG   SER  47           HG       SER  47   1.640  -4.634 -10.628
  376    H    ARG  48           HN       ARG  48  -2.188  -4.029  -8.510
  377    HA   ARG  48           HA       ARG  48  -2.202  -1.896 -10.408
  378   1HB   ARG  48           HB2      ARG  48  -4.364  -3.311  -8.853
  379   2HB   ARG  48           HB3      ARG  48  -4.739  -1.918  -9.855
  380   1HG   ARG  48           HG2      ARG  48  -3.226  -3.591 -11.501
  381   2HG   ARG  48           HG3      ARG  48  -4.306  -4.672 -10.614
  382   1HD   ARG  48           HD2      ARG  48  -5.190  -2.207 -12.114
  383   2HD   ARG  48           HD3      ARG  48  -5.260  -3.849 -12.754
  384    HE   ARG  48           HE       ARG  48  -6.621  -3.877 -10.338
  385   1HH1  ARG  48          HH12      ARG  48  -6.932  -2.361 -13.473
  386   2HH1  ARG  48          HH11      ARG  48  -8.672  -2.274 -13.399
  387   1HH2  ARG  48          HH22      ARG  48  -8.901  -3.755 -10.219
  388   2HH2  ARG  48          HH21      ARG  48  -9.794  -3.058 -11.549
  389    H    MET  49           HN       MET  49  -3.011  -2.075  -6.953
  390    HA   MET  49           HA       MET  49  -3.722   0.652  -6.675
  391   1HB   MET  49           HB2      MET  49  -2.934  -1.490  -4.709
  392   2HB   MET  49           HB3      MET  49  -3.227   0.166  -4.188
  393   1HG   MET  49           HG2      MET  49  -5.485   0.001  -5.285
  394   2HG   MET  49           HG3      MET  49  -5.169  -1.718  -5.485
  395   1HE   MET  49           HE2      MET  49  -7.559  -0.867  -4.453
  396   2HE   MET  49           HE3      MET  49  -7.635  -2.280  -3.405
  397   3HE   MET  49           HE1      MET  49  -7.826  -0.667  -2.724
  398    H    LEU  50           HN       LEU  50  -0.621  -1.054  -6.439
  399    HA   LEU  50           HA       LEU  50   0.905   1.060  -5.336
  400   1HB   LEU  50           HB2      LEU  50   1.548  -1.415  -6.898
  401   2HB   LEU  50           HB3      LEU  50   2.792  -0.174  -6.774
  402    HG   LEU  50           HG       LEU  50   1.442  -1.186  -4.305
  403   1HD1  LEU  50          HD13      LEU  50   3.555  -2.569  -5.906
  404   2HD1  LEU  50          HD11      LEU  50   3.474  -2.749  -4.153
  405   3HD1  LEU  50          HD12      LEU  50   2.110  -3.244  -5.153
  406   1HD2  LEU  50          HD23      LEU  50   4.061   0.108  -4.925
  407   2HD2  LEU  50          HD21      LEU  50   2.768   0.671  -3.861
  408   3HD2  LEU  50          HD22      LEU  50   3.752  -0.714  -3.397
  409    H    THR  51           HN       THR  51   0.109   0.209  -8.677
  410    HA   THR  51           HA       THR  51   1.631   2.337  -9.859
  411    HB   THR  51           HB       THR  51  -0.644   0.826 -11.168
  412    HG1  THR  51           HG1      THR  51   0.645  -0.781 -10.372
  413   1HG2  THR  51          HG22      THR  51   0.365   2.676 -12.459
  414   2HG2  THR  51          HG21      THR  51   1.923   1.856 -12.355
  415   3HG2  THR  51          HG23      THR  51   0.578   1.093 -13.205
  416    H    LYS  52           HN       LYS  52  -1.820   1.804  -9.180
  417    HA   LYS  52           HA       LYS  52  -2.857   4.172 -10.233
  418   1HB   LYS  52           HB2      LYS  52  -4.268   2.305  -9.623
  419   2HB   LYS  52           HB3      LYS  52  -3.818   2.453  -7.932
  420   1HG   LYS  52           HG2      LYS  52  -5.028   4.869  -9.106
  421   2HG   LYS  52           HG3      LYS  52  -6.085   3.458  -9.036
  422   1HD   LYS  52           HD2      LYS  52  -5.325   3.249  -6.583
  423   2HD   LYS  52           HD3      LYS  52  -4.736   4.900  -6.769
  424   1HE   LYS  52           HE2      LYS  52  -7.566   4.122  -7.422
  425   2HE   LYS  52           HE3      LYS  52  -7.071   4.599  -5.798
  426   1HZ   LYS  52           HZ1      LYS  52  -6.290   6.401  -7.960
  427   2HZ   LYS  52           HZ3      LYS  52  -7.956   6.325  -7.603
  428   3HZ   LYS  52           HZ2      LYS  52  -6.837   6.749  -6.391
  429    H    PHE  53           HN       PHE  53  -1.761   3.504  -6.899
  430    HA   PHE  53           HA       PHE  53  -2.282   6.221  -6.055
  431   1HB   PHE  53           HB2      PHE  53  -1.032   3.849  -4.643
  432   2HB   PHE  53           HB3      PHE  53  -1.222   5.425  -3.890
  433    HD1  PHE  53           HD1      PHE  53  -3.829   6.347  -4.481
  434    HD2  PHE  53           HD2      PHE  53  -2.553   2.334  -3.872
  435    HE1  PHE  53           HE1      PHE  53  -6.113   5.721  -3.817
  436    HE2  PHE  53           HE2      PHE  53  -4.826   1.704  -3.208
  437    HZ   PHE  53           HZ       PHE  53  -6.616   3.390  -3.191
  438    H    GLY  54           HN       GLY  54   0.143   4.968  -7.901
  439   1HA   GLY  54           HA1      GLY  54   2.194   5.744  -8.556
  440   2HA   GLY  54           HA2      GLY  54   1.737   7.265  -7.813
  441    H    ALA  55           HN       ALA  55   2.455   4.043  -6.445
  442    HA   ALA  55           HA       ALA  55   3.992   5.197  -4.303
  443   1HB   ALA  55           HB3      ALA  55   2.641   3.197  -3.955
  444   2HB   ALA  55           HB1      ALA  55   3.653   2.307  -5.091
  445   3HB   ALA  55           HB2      ALA  55   4.336   2.895  -3.574
  446    H    VAL  56           HN       VAL  56   6.203   4.979  -3.898
  447    HA   VAL  56           HA       VAL  56   7.902   4.191  -6.188
  448    HB   VAL  56           HB       VAL  56   9.518   5.981  -5.319
  449   1HG1  VAL  56          HG13      VAL  56   8.168   6.134  -7.407
  450   2HG1  VAL  56          HG11      VAL  56   6.931   6.995  -6.489
  451   3HG1  VAL  56          HG12      VAL  56   8.538   7.696  -6.675
  452   1HG2  VAL  56          HG21      VAL  56   8.272   6.327  -3.165
  453   2HG2  VAL  56          HG22      VAL  56   8.661   7.802  -4.041
  454   3HG2  VAL  56          HG23      VAL  56   7.024   7.154  -4.092
  455    H    ARG  57           HN       ARG  57   9.868   3.185  -5.701
  456    HA   ARG  57           HA       ARG  57  10.042   1.972  -3.029
  457   1HB   ARG  57           HB2      ARG  57  11.634   1.355  -5.535
  458   2HB   ARG  57           HB3      ARG  57  11.626   0.422  -4.045
  459   1HG   ARG  57           HG2      ARG  57   9.358  -0.251  -4.395
  460   2HG   ARG  57           HG3      ARG  57   9.203   0.812  -5.794
  461   1HD   ARG  57           HD2      ARG  57   9.560  -1.595  -6.368
  462   2HD   ARG  57           HD3      ARG  57  10.756  -0.500  -7.052
  463    HE   ARG  57           HE       ARG  57  12.392  -1.483  -5.770
  464   1HH1  ARG  57          HH12      ARG  57   9.252  -2.512  -4.625
  465   2HH1  ARG  57          HH11      ARG  57   9.882  -3.725  -3.554
  466   1HH2  ARG  57          HH22      ARG  57  13.249  -3.081  -4.371
  467   2HH2  ARG  57          HH21      ARG  57  12.166  -4.059  -3.410
  468    H    THR  58           HN       THR  58  11.482   2.734  -1.544
  469    HA   THR  58           HA       THR  58  14.047   3.798  -2.411
  470    HB   THR  58           HB       THR  58  12.373   5.716  -2.585
  471    HG1  THR  58           HG1      THR  58  14.720   5.930  -2.260
  472   1HG2  THR  58          HG22      THR  58  11.261   5.094  -0.346
  473   2HG2  THR  58          HG21      THR  58  12.596   5.988   0.378
  474   3HG2  THR  58          HG23      THR  58  11.506   6.793  -0.751
  475    H    ARG  59           HN       ARG  59  15.252   4.731  -0.423
  476    HA   ARG  59           HA       ARG  59  15.389   2.638   1.538
  477   1HB   ARG  59           HB2      ARG  59  17.061   4.861   0.650
  478   2HB   ARG  59           HB3      ARG  59  17.036   4.748   2.399
  479   1HG   ARG  59           HG2      ARG  59  17.560   2.246   2.018
  480   2HG   ARG  59           HG3      ARG  59  18.034   2.760   0.400
  481   1HD   ARG  59           HD2      ARG  59  19.171   3.726   3.031
  482   2HD   ARG  59           HD3      ARG  59  19.988   2.740   1.815
  483    HE   ARG  59           HE       ARG  59  19.165   5.136   0.598
  484   1HH1  ARG  59          HH12      ARG  59  21.429   4.093   3.066
  485   2HH1  ARG  59          HH11      ARG  59  22.514   5.429   2.803
  486   1HH2  ARG  59          HH22      ARG  59  20.585   6.861   0.255
  487   2HH2  ARG  59          HH21      ARG  59  22.036   6.996   1.197
  488    H    ASN  60           HN       ASN  60  14.669   2.648   3.620
  489    HA   ASN  60           HA       ASN  60  13.028   4.914   4.490
  490   1HB   ASN  60           HB2      ASN  60  12.090   3.412   6.171
  491   2HB   ASN  60           HB3      ASN  60  11.977   2.710   4.567
  492   1HD2  ASN  60          HD22      ASN  60  12.965  -0.073   6.619
  493   2HD2  ASN  60          HD21      ASN  60  11.583   0.911   6.278
  494    H    ALA  61           HN       ALA  61  13.295   4.139   7.328
  495    HA   ALA  61           HA       ALA  61  15.421   5.920   8.021
  496   1HB   ALA  61           HB2      ALA  61  13.572   4.223   9.690
  497   2HB   ALA  61           HB3      ALA  61  14.786   5.301  10.378
  498   3HB   ALA  61           HB1      ALA  61  13.486   5.958   9.389
  499    H    LYS  62           HN       LYS  62  15.208   2.452   7.701
  500    HA   LYS  62           HA       LYS  62  17.899   2.193   8.889
  501   1HB   LYS  62           HB2      LYS  62  15.711   0.111   8.837
  502   2HB   LYS  62           HB3      LYS  62  17.330  -0.104   9.487
  503   1HG   LYS  62           HG2      LYS  62  16.756   1.880  11.024
  504   2HG   LYS  62           HG3      LYS  62  15.085   1.572  10.553
  505   1HD   LYS  62           HD2      LYS  62  15.839  -0.928  11.208
  506   2HD   LYS  62           HD3      LYS  62  16.907  -0.006  12.270
  507   1HE   LYS  62           HE2      LYS  62  15.011  -0.332  13.577
  508   2HE   LYS  62           HE3      LYS  62  14.794   1.294  12.935
  509   1HZ   LYS  62           HZ2      LYS  62  13.528  -0.098  11.065
  510   2HZ   LYS  62           HZ1      LYS  62  13.286  -1.144  12.386
  511   3HZ   LYS  62           HZ3      LYS  62  12.756   0.475  12.470
  512    H    MET  63           HN       MET  63  17.889   2.890   6.345
  513    HA   MET  63           HA       MET  63  18.466   2.378   4.218
  514   1HB   MET  63           HB2      MET  63  20.444   0.918   4.043
  515   2HB   MET  63           HB3      MET  63  20.579   2.124   5.312
  516   1HG   MET  63           HG2      MET  63  20.413   0.545   7.010
  517   2HG   MET  63           HG3      MET  63  19.668  -0.654   5.953
  518   1HE   MET  63           HE3      MET  63  21.105  -1.451   3.675
  519   2HE   MET  63           HE1      MET  63  22.497  -2.398   4.201
  520   3HE   MET  63           HE2      MET  63  20.935  -2.609   4.991
  521    H    GLU  64           HN       GLU  64  16.071   0.889   4.829
  522    HA   GLU  64           HA       GLU  64  16.553  -1.538   3.227
  523   1HB   GLU  64           HB2      GLU  64  14.345  -0.832   5.162
  524   2HB   GLU  64           HB3      GLU  64  14.206  -2.169   4.041
  525   1HG   GLU  64           HG2      GLU  64  16.631  -2.663   5.207
  526   2HG   GLU  64           HG3      GLU  64  15.725  -1.933   6.530
  527    H    MET  65           HN       MET  65  15.700  -1.710   1.226
  528    HA   MET  65           HA       MET  65  14.419   0.575   0.019
  529   1HB   MET  65           HB2      MET  65  15.073  -2.179  -1.050
  530   2HB   MET  65           HB3      MET  65  14.320  -0.914  -2.013
  531   1HG   MET  65           HG2      MET  65  16.440   0.448  -1.105
  532   2HG   MET  65           HG3      MET  65  17.108  -1.179  -1.075
  533   1HE   MET  65           HE2      MET  65  15.004   1.249  -3.099
  534   2HE   MET  65           HE3      MET  65  16.592   1.924  -3.470
  535   3HE   MET  65           HE1      MET  65  15.646   1.154  -4.739
  536    H    VAL  66           HN       VAL  66  12.368   0.977   0.555
  537    HA   VAL  66           HA       VAL  66  10.409  -1.221   0.443
  538    HB   VAL  66           HB       VAL  66   9.197  -0.223   2.357
  539   1HG1  VAL  66          HG12      VAL  66  10.775  -2.087   2.690
  540   2HG1  VAL  66          HG13      VAL  66  12.065  -0.925   2.997
  541   3HG1  VAL  66          HG11      VAL  66  10.694  -1.026   4.097
  542   1HG2  VAL  66          HG21      VAL  66  11.602   1.595   2.510
  543   2HG2  VAL  66          HG22      VAL  66   9.920   2.064   2.258
  544   3HG2  VAL  66          HG23      VAL  66  10.425   1.390   3.804
  545    H    TYR  67           HN       TYR  67   8.213  -0.549   0.182
  546    HA   TYR  67           HA       TYR  67   7.866   1.440  -1.872
  547   1HB   TYR  67           HB2      TYR  67   6.081  -0.562  -0.494
  548   2HB   TYR  67           HB3      TYR  67   5.372   0.717  -1.460
  549    HD1  TYR  67           HD2      TYR  67   6.904   0.947  -3.815
  550    HD2  TYR  67           HD1      TYR  67   5.921  -2.570  -1.626
  551    HE1  TYR  67           HE2      TYR  67   7.131  -0.385  -5.867
  552    HE2  TYR  67           HE1      TYR  67   6.128  -3.918  -3.674
  553    HH   TYR  67           HH       TYR  67   7.029  -2.416  -6.786
  554    H    CYS  68           HN       CYS  68   7.255   3.495  -1.556
  555    HA   CYS  68           HA       CYS  68   5.724   4.223   0.838
  556   1HB   CYS  68           HB2      CYS  68   7.083   6.247   1.190
  557   2HB   CYS  68           HB3      CYS  68   8.037   4.788   1.390
  558    HG   CYS  68           HG       CYS  68   9.525   5.507  -0.416
  559    H    LEU  69           HN       LEU  69   4.909   6.554   0.589
  560    HA   LEU  69           HA       LEU  69   3.885   6.830  -2.156
  561   1HB   LEU  69           HB2      LEU  69   2.558   6.779   0.253
  562   2HB   LEU  69           HB3      LEU  69   2.658   8.497  -0.065
  563    HG   LEU  69           HG       LEU  69   1.522   8.198  -2.199
  564   1HD1  LEU  69          HD11      LEU  69   2.200   5.410  -1.757
  565   2HD1  LEU  69          HD12      LEU  69   0.492   5.620  -2.140
  566   3HD1  LEU  69          HD13      LEU  69   1.723   6.236  -3.242
  567   1HD2  LEU  69          HD21      LEU  69   0.093   6.830   0.071
  568   2HD2  LEU  69          HD22      LEU  69   0.148   8.564  -0.238
  569   3HD2  LEU  69          HD23      LEU  69  -0.669   7.493  -1.375
  570    HA   PRO  70           HA       PRO  70   6.192  10.603  -2.915
  571   1HB   PRO  70           HB2      PRO  70   3.757  11.551  -4.338
  572   2HB   PRO  70           HB3      PRO  70   5.413  11.363  -4.925
  573   1HG   PRO  70           HG2      PRO  70   3.513   9.660  -5.659
  574   2HG   PRO  70           HG3      PRO  70   5.152   9.082  -5.293
  575   1HD   PRO  70           HD2      PRO  70   2.686   8.997  -3.589
  576   2HD   PRO  70           HD3      PRO  70   3.893   7.734  -3.875
  577    H    ALA  71           HN       ALA  71   4.643  13.030  -3.457
  578    HA   ALA  71           HA       ALA  71   4.593  14.089  -0.774
  579   1HB   ALA  71           HB3      ALA  71   5.501  15.380  -2.642
  580   2HB   ALA  71           HB1      ALA  71   3.893  15.456  -3.362
  581   3HB   ALA  71           HB2      ALA  71   4.202  16.233  -1.810
  582    H    GLU  72           HN       GLU  72   2.816  12.516  -0.255
  583    HA   GLU  72           HA       GLU  72   0.666  11.967   0.261
  584   1HB   GLU  72           HB2      GLU  72   0.565  14.983   0.463
  585   2HB   GLU  72           HB3      GLU  72  -0.709  13.925   1.051
  586   1HG   GLU  72           HG2      GLU  72   1.921  13.157   2.051
  587   2HG   GLU  72           HG3      GLU  72   1.504  14.815   2.468
  588    H    LEU  73           HN       LEU  73   0.208  11.101  -1.876
  589    HA   LEU  73           HA       LEU  73  -1.111  12.672  -3.863
  590   1HB   LEU  73           HB2      LEU  73   0.234  10.591  -4.291
  591   2HB   LEU  73           HB3      LEU  73  -1.091   9.659  -3.623
  592    HG   LEU  73           HG       LEU  73  -1.996  11.477  -5.722
  593   1HD1  LEU  73          HD11      LEU  73   0.258  11.152  -6.593
  594   2HD1  LEU  73          HD12      LEU  73   0.053   9.400  -6.484
  595   3HD1  LEU  73          HD13      LEU  73  -0.944  10.340  -7.595
  596   1HD2  LEU  73          HD21      LEU  73  -2.173   8.530  -5.177
  597   2HD2  LEU  73          HD22      LEU  73  -3.445   9.749  -5.096
  598   3HD2  LEU  73          HD23      LEU  73  -2.802   9.250  -6.658
  599    H    GLY  74           HN       GLY  74  -2.843  13.647  -2.832
  600   1HA   GLY  74           HA1      GLY  74  -5.344  12.394  -3.017
  601   2HA   GLY  74           HA2      GLY  74  -4.842  12.327  -1.334
  602    H    VAL  75           HN       VAL  75  -5.206  14.599  -4.042
  603    HA   VAL  75           HA       VAL  75  -6.160  16.646  -2.151
  604    HB   VAL  75           HB       VAL  75  -4.990  18.395  -3.438
  605   1HG1  VAL  75          HG21      VAL  75  -3.967  17.147  -1.443
  606   2HG1  VAL  75          HG22      VAL  75  -2.930  16.369  -2.639
  607   3HG1  VAL  75          HG23      VAL  75  -2.901  18.120  -2.454
  608   1HG2  VAL  75          HG12      VAL  75  -4.057  16.063  -5.076
  609   2HG2  VAL  75          HG13      VAL  75  -4.686  17.621  -5.606
  610   3HG2  VAL  75          HG11      VAL  75  -3.060  17.507  -4.936
  611    HA   PRO  76           HA       PRO  76  -9.416  17.306  -5.121
  612   1HB   PRO  76           HB2      PRO  76  -9.652  20.129  -4.537
  613   2HB   PRO  76           HB3      PRO  76 -10.647  18.799  -3.954
  614   1HG   PRO  76           HG2      PRO  76  -8.974  20.281  -2.365
  615   2HG   PRO  76           HG3      PRO  76  -9.486  18.627  -1.997
  616   1HD   PRO  76           HD2      PRO  76  -6.924  19.595  -3.209
  617   2HD   PRO  76           HD3      PRO  76  -7.188  18.335  -1.989
  618    H    THR  77           HN       THR  77  -8.315  17.015  -7.078
  619    HA   THR  77           HA       THR  77  -7.161  19.412  -8.359
  620    HB   THR  77           HB       THR  77  -5.725  17.372  -8.136
  621    HG1  THR  77           HG1      THR  77  -4.862  18.240  -9.810
  622   1HG2  THR  77          HG21      THR  77  -7.551  15.663  -8.505
  623   2HG2  THR  77          HG23      THR  77  -7.426  16.035 -10.227
  624   3HG2  THR  77          HG22      THR  77  -6.033  15.389  -9.359
  625    H    THR  78           HN       THR  78  -8.128  20.310 -10.079
  626    HA   THR  78           HA       THR  78 -10.191  18.849 -11.570
  627    HB   THR  78           HB       THR  78 -11.725  20.808 -11.426
  628    HG1  THR  78           HG1      THR  78  -9.921  22.257 -10.768
  629   1HG2  THR  78          HG22      THR  78 -11.961  18.896  -9.835
  630   2HG2  THR  78          HG21      THR  78 -11.065  19.853  -8.654
  631   3HG2  THR  78          HG23      THR  78 -12.615  20.433  -9.267
   
  No H/Q in entry =         631
  Start of MODEL   15
    1   1H    MET   1           HT1      MET   1 -23.451   1.785  -2.489
    2   2H    MET   1           HT3      MET   1 -24.154   0.218  -2.609
    3   3H    MET   1           HT2      MET   1 -23.549   0.778  -1.097
    4    HA   MET   1           HA       MET   1 -21.371   0.704  -1.810
    5   1HB   MET   1           HB2      MET   1 -22.561  -1.434  -1.169
    6   2HB   MET   1           HB3      MET   1 -22.767  -1.766  -2.882
    7   1HG   MET   1           HG2      MET   1 -20.329  -1.804  -3.161
    8   2HG   MET   1           HG3      MET   1 -20.135  -1.496  -1.435
    9   1HE   MET   1           HE2      MET   1 -20.388  -3.958  -4.179
   10   2HE   MET   1           HE3      MET   1 -21.044  -5.441  -3.487
   11   3HE   MET   1           HE1      MET   1 -22.116  -4.084  -3.843
   12    H    ARG   2           HN       ARG   2 -20.230   1.677  -3.357
   13    HA   ARG   2           HA       ARG   2 -20.179   0.687  -6.020
   14   1HB   ARG   2           HB2      ARG   2 -20.688   3.002  -7.050
   15   2HB   ARG   2           HB3      ARG   2 -22.030   1.979  -6.580
   16   1HG   ARG   2           HG2      ARG   2 -22.261   3.274  -4.488
   17   2HG   ARG   2           HG3      ARG   2 -20.949   4.328  -5.025
   18   1HD   ARG   2           HD2      ARG   2 -23.008   5.415  -5.547
   19   2HD   ARG   2           HD3      ARG   2 -22.296   4.845  -7.054
   20    HE   ARG   2           HE       ARG   2 -24.339   3.202  -5.712
   21   1HH1  ARG   2          HH12      ARG   2 -23.418   5.216  -8.449
   22   2HH1  ARG   2          HH11      ARG   2 -24.772   4.717  -9.424
   23   1HH2  ARG   2          HH22      ARG   2 -26.110   2.562  -6.994
   24   2HH2  ARG   2          HH21      ARG   2 -26.300   3.223  -8.590
   25    H    SER   3           HN       SER   3 -19.297   3.320  -3.867
   26    HA   SER   3           HA       SER   3 -16.507   3.015  -4.561
   27   1HB   SER   3           HB2      SER   3 -17.841   5.682  -5.151
   28   2HB   SER   3           HB3      SER   3 -16.122   5.318  -5.305
   29    HG   SER   3           HG       SER   3 -17.424   3.507  -6.731
   30    H    SER   4           HN       SER   4 -18.744   5.352  -3.029
   31    HA   SER   4           HA       SER   4 -16.848   6.078  -1.033
   32   1HB   SER   4           HB2      SER   4 -19.750   6.788  -0.770
   33   2HB   SER   4           HB3      SER   4 -18.319   7.772  -0.472
   34    HG   SER   4           HG       SER   4 -18.105   8.165  -2.618
   35    H    ALA   5           HN       ALA   5 -16.927   5.761   1.122
   36    HA   ALA   5           HA       ALA   5 -17.290   4.824   3.147
   37   1HB   ALA   5           HB2      ALA   5 -19.682   5.416   2.682
   38   2HB   ALA   5           HB3      ALA   5 -19.923   3.752   2.156
   39   3HB   ALA   5           HB1      ALA   5 -19.436   4.090   3.816
   40    H    LYS   6           HN       LYS   6 -18.815   2.423   0.993
   41    HA   LYS   6           HA       LYS   6 -17.643   0.245   2.391
   42   1HB   LYS   6           HB2      LYS   6 -19.392   0.529  -0.004
   43   2HB   LYS   6           HB3      LYS   6 -18.520  -0.986   0.182
   44   1HG   LYS   6           HG2      LYS   6 -20.306   0.204   2.301
   45   2HG   LYS   6           HG3      LYS   6 -20.831  -0.988   1.114
   46   1HD   LYS   6           HD2      LYS   6 -19.116  -2.553   1.948
   47   2HD   LYS   6           HD3      LYS   6 -18.647  -1.372   3.169
   48   1HE   LYS   6           HE2      LYS   6 -20.077  -2.643   4.411
   49   2HE   LYS   6           HE3      LYS   6 -21.219  -1.464   3.770
   50   1HZ   LYS   6           HZ2      LYS   6 -20.705  -4.074   2.453
   51   2HZ   LYS   6           HZ1      LYS   6 -21.908  -3.856   3.637
   52   3HZ   LYS   6           HZ3      LYS   6 -21.993  -3.000   2.174
   53    H    GLN   7           HN       GLN   7 -15.757  -0.638   2.191
   54    HA   GLN   7           HA       GLN   7 -13.793  -1.344   1.488
   55   1HB   GLN   7           HB2      GLN   7 -15.309  -1.902  -0.594
   56   2HB   GLN   7           HB3      GLN   7 -14.256  -0.726  -1.377
   57   1HG   GLN   7           HG2      GLN   7 -13.276  -2.847  -1.720
   58   2HG   GLN   7           HG3      GLN   7 -12.318  -2.025  -0.488
   59   1HE2  GLN   7          HE22      GLN   7 -12.512  -5.237   1.021
   60   2HE2  GLN   7          HE21      GLN   7 -11.588  -4.272  -0.077
   61    H    GLU   8           HN       GLU   8 -14.403   1.719   1.743
   62    HA   GLU   8           HA       GLU   8 -12.054   2.825   0.401
   63   1HB   GLU   8           HB2      GLU   8 -14.014   4.000   2.386
   64   2HB   GLU   8           HB3      GLU   8 -12.619   4.877   1.772
   65   1HG   GLU   8           HG2      GLU   8 -13.577   4.397  -0.556
   66   2HG   GLU   8           HG3      GLU   8 -15.066   3.974   0.290
   67    H    GLU   9           HN       GLU   9 -12.426   0.715   2.764
   68    HA   GLU   9           HA       GLU   9 -10.594   1.807   4.748
   69   1HB   GLU   9           HB2      GLU   9 -12.109  -0.801   4.713
   70   2HB   GLU   9           HB3      GLU   9 -11.148  -0.186   6.051
   71   1HG   GLU   9           HG2      GLU   9 -12.743   1.902   5.764
   72   2HG   GLU   9           HG3      GLU   9 -13.810   0.699   5.041
   73    H    LEU  10           HN       LEU  10 -10.793  -0.749   2.325
   74    HA   LEU  10           HA       LEU  10  -8.253  -1.918   2.839
   75   1HB   LEU  10           HB2      LEU  10  -9.704  -3.203   1.536
   76   2HB   LEU  10           HB3      LEU  10 -10.107  -1.866   0.479
   77    HG   LEU  10           HG       LEU  10  -7.862  -2.011  -0.545
   78   1HD1  LEU  10          HD13      LEU  10  -7.519  -4.233   1.441
   79   2HD1  LEU  10          HD11      LEU  10  -6.577  -4.158  -0.047
   80   3HD1  LEU  10          HD12      LEU  10  -6.464  -2.855   1.133
   81   1HD2  LEU  10          HD21      LEU  10  -9.517  -4.520  -0.524
   82   2HD2  LEU  10          HD22      LEU  10  -9.600  -3.176  -1.663
   83   3HD2  LEU  10          HD23      LEU  10  -8.187  -4.234  -1.646
   84    H    VAL  11           HN       VAL  11  -9.342   0.914   1.082
   85    HA   VAL  11           HA       VAL  11  -6.794   1.395  -0.188
   86    HB   VAL  11           HB       VAL  11  -9.276   3.109   0.054
   87   1HG1  VAL  11          HG12      VAL  11  -6.575   3.806  -1.048
   88   2HG1  VAL  11          HG13      VAL  11  -8.036   4.480  -1.776
   89   3HG1  VAL  11          HG11      VAL  11  -7.680   4.785  -0.078
   90   1HG2  VAL  11          HG22      VAL  11  -7.971   1.667  -2.259
   91   2HG2  VAL  11          HG23      VAL  11  -9.490   1.241  -1.466
   92   3HG2  VAL  11          HG21      VAL  11  -9.368   2.734  -2.393
   93    H    LYS  12           HN       LYS  12  -8.544   3.086   2.532
   94    HA   LYS  12           HA       LYS  12  -6.536   4.931   3.091
   95   1HB   LYS  12           HB2      LYS  12  -7.556   5.161   5.267
   96   2HB   LYS  12           HB3      LYS  12  -8.771   5.082   4.009
   97   1HG   LYS  12           HG2      LYS  12  -9.770   3.688   5.458
   98   2HG   LYS  12           HG3      LYS  12  -8.683   2.509   4.727
   99   1HD   LYS  12           HD2      LYS  12  -7.014   3.315   6.499
  100   2HD   LYS  12           HD3      LYS  12  -8.437   3.936   7.332
  101   1HE   LYS  12           HE2      LYS  12  -8.433   1.092   6.424
  102   2HE   LYS  12           HE3      LYS  12  -7.490   1.521   7.838
  103   1HZ   LYS  12           HZ2      LYS  12 -10.309   2.368   7.674
  104   2HZ   LYS  12           HZ1      LYS  12  -9.931   0.761   8.103
  105   3HZ   LYS  12           HZ3      LYS  12  -9.346   2.054   9.044
  106    H    ALA  13           HN       ALA  13  -6.994   1.691   4.286
  107    HA   ALA  13           HA       ALA  13  -4.780   1.511   6.022
  108   1HB   ALA  13           HB1      ALA  13  -6.563  -0.157   6.023
  109   2HB   ALA  13           HB2      ALA  13  -6.080  -0.696   4.416
  110   3HB   ALA  13           HB3      ALA  13  -4.993  -0.919   5.786
  111    H    PHE  14           HN       PHE  14  -5.079   0.596   2.577
  112    HA   PHE  14           HA       PHE  14  -2.525  -0.335   2.036
  113   1HB   PHE  14           HB2      PHE  14  -4.518  -0.306   0.487
  114   2HB   PHE  14           HB3      PHE  14  -4.192   1.358   0.165
  115    HD1  PHE  14           HD2      PHE  14  -3.045  -2.067  -0.366
  116    HD2  PHE  14           HD1      PHE  14  -2.342   2.039  -1.250
  117    HE1  PHE  14           HE2      PHE  14  -1.517  -2.720  -2.167
  118    HE2  PHE  14           HE1      PHE  14  -0.807   1.378  -3.070
  119    HZ   PHE  14           HZ       PHE  14  -0.397  -1.001  -3.515
  120    H    LYS  15           HN       LYS  15  -3.681   3.001   1.576
  121    HA   LYS  15           HA       LYS  15  -1.309   4.242   0.848
  122   1HB   LYS  15           HB2      LYS  15  -3.322   5.539   2.705
  123   2HB   LYS  15           HB3      LYS  15  -2.243   6.343   1.581
  124   1HG   LYS  15           HG2      LYS  15  -4.510   4.556   0.752
  125   2HG   LYS  15           HG3      LYS  15  -4.629   6.295   0.903
  126   1HD   LYS  15           HD2      LYS  15  -2.430   6.023  -0.702
  127   2HD   LYS  15           HD3      LYS  15  -3.392   4.625  -1.186
  128   1HE   LYS  15           HE2      LYS  15  -3.808   6.675  -2.567
  129   2HE   LYS  15           HE3      LYS  15  -5.247   6.020  -1.785
  130   1HZ   LYS  15           HZ2      LYS  15  -3.774   8.098  -0.345
  131   2HZ   LYS  15           HZ1      LYS  15  -4.645   8.581  -1.729
  132   3HZ   LYS  15           HZ3      LYS  15  -5.452   7.809  -0.443
  133    H    ALA  16           HN       ALA  16  -2.534   3.733   4.141
  134    HA   ALA  16           HA       ALA  16  -0.459   5.002   5.548
  135   1HB   ALA  16           HB2      ALA  16  -2.530   2.978   6.321
  136   2HB   ALA  16           HB3      ALA  16  -1.276   3.454   7.464
  137   3HB   ALA  16           HB1      ALA  16  -2.374   4.664   6.807
  138    H    LEU  17           HN       LEU  17  -0.837   1.595   4.573
  139    HA   LEU  17           HA       LEU  17   1.362   0.501   5.922
  140   1HB   LEU  17           HB2      LEU  17   0.172  -0.285   3.253
  141   2HB   LEU  17           HB3      LEU  17   1.363  -1.235   4.107
  142    HG   LEU  17           HG       LEU  17  -1.522  -0.847   4.697
  143   1HD1  LEU  17          HD12      LEU  17   0.369  -3.181   4.806
  144   2HD1  LEU  17          HD13      LEU  17  -1.350  -3.254   5.189
  145   3HD1  LEU  17          HD11      LEU  17  -0.828  -2.841   3.558
  146   1HD2  LEU  17          HD23      LEU  17   0.566  -1.383   6.798
  147   2HD2  LEU  17          HD21      LEU  17  -0.658  -0.112   6.789
  148   3HD2  LEU  17          HD22      LEU  17  -1.135  -1.796   6.989
  149    H    LEU  18           HN       LEU  18   1.186   2.004   2.716
  150    HA   LEU  18           HA       LEU  18   3.954   1.610   2.082
  151   1HB   LEU  18           HB2      LEU  18   2.075   3.686   0.957
  152   2HB   LEU  18           HB3      LEU  18   3.580   3.143   0.243
  153    HG   LEU  18           HG       LEU  18   1.258   1.273   0.671
  154   1HD1  LEU  18          HD11      LEU  18   1.789   3.212  -1.538
  155   2HD1  LEU  18          HD12      LEU  18   0.927   1.704  -1.836
  156   3HD1  LEU  18          HD13      LEU  18   0.283   2.878  -0.685
  157   1HD2  LEU  18          HD22      LEU  18   3.559   0.347   0.249
  158   2HD2  LEU  18          HD23      LEU  18   2.336  -0.102  -0.941
  159   3HD2  LEU  18          HD21      LEU  18   3.509   1.158  -1.321
  160    H    LYS  19           HN       LYS  19   2.118   4.465   3.147
  161    HA   LYS  19           HA       LYS  19   4.268   6.230   3.284
  162   1HB   LYS  19           HB2      LYS  19   1.639   6.232   4.760
  163   2HB   LYS  19           HB3      LYS  19   2.765   7.585   4.760
  164   1HG   LYS  19           HG2      LYS  19   2.535   7.875   2.392
  165   2HG   LYS  19           HG3      LYS  19   1.584   6.395   2.244
  166   1HD   LYS  19           HD2      LYS  19  -0.250   7.640   2.477
  167   2HD   LYS  19           HD3      LYS  19   0.220   7.925   4.149
  168   1HE   LYS  19           HE2      LYS  19   1.084   9.630   1.809
  169   2HE   LYS  19           HE3      LYS  19  -0.262  10.002   2.882
  170   1HZ   LYS  19           HZ2      LYS  19   2.581   9.724   3.729
  171   2HZ   LYS  19           HZ1      LYS  19   1.753  11.191   3.502
  172   3HZ   LYS  19           HZ3      LYS  19   1.268  10.124   4.738
  173    H    GLU  20           HN       GLU  20   3.516   3.666   5.455
  174    HA   GLU  20           HA       GLU  20   4.845   4.741   7.775
  175   1HB   GLU  20           HB2      GLU  20   3.754   2.054   7.000
  176   2HB   GLU  20           HB3      GLU  20   4.856   2.161   8.362
  177   1HG   GLU  20           HG2      GLU  20   2.786   4.172   8.552
  178   2HG   GLU  20           HG3      GLU  20   2.091   2.563   8.362
  179    H    GLU  21           HN       GLU  21   5.845   3.192   4.860
  180    HA   GLU  21           HA       GLU  21   7.838   2.591   3.987
  181   1HB   GLU  21           HB2      GLU  21   9.213   4.022   6.261
  182   2HB   GLU  21           HB3      GLU  21   9.787   3.774   4.617
  183   1HG   GLU  21           HG2      GLU  21   7.602   5.174   4.044
  184   2HG   GLU  21           HG3      GLU  21   7.859   5.770   5.683
  185    H    LYS  22           HN       LYS  22   7.133   0.429   4.689
  186    HA   LYS  22           HA       LYS  22   9.167  -0.840   6.390
  187   1HB   LYS  22           HB2      LYS  22   7.485  -0.789   7.981
  188   2HB   LYS  22           HB3      LYS  22   6.196  -0.878   6.792
  189   1HG   LYS  22           HG2      LYS  22   6.405  -3.207   6.572
  190   2HG   LYS  22           HG3      LYS  22   7.988  -3.224   7.342
  191   1HD   LYS  22           HD2      LYS  22   7.029  -2.726   9.483
  192   2HD   LYS  22           HD3      LYS  22   5.441  -2.450   8.762
  193   1HE   LYS  22           HE2      LYS  22   5.698  -4.677   9.892
  194   2HE   LYS  22           HE3      LYS  22   5.212  -4.765   8.196
  195   1HZ   LYS  22           HZ3      LYS  22   8.069  -4.922   8.923
  196   2HZ   LYS  22           HZ2      LYS  22   7.086  -6.302   9.050
  197   3HZ   LYS  22           HZ1      LYS  22   7.275  -5.533   7.545
  198    H    PHE  23           HN       PHE  23   6.414  -1.448   4.214
  199    HA   PHE  23           HA       PHE  23   7.319  -4.068   3.514
  200   1HB   PHE  23           HB2      PHE  23   5.250  -2.383   2.103
  201   2HB   PHE  23           HB3      PHE  23   5.396  -4.142   2.074
  202    HD1  PHE  23           HD1      PHE  23   5.013  -5.434   4.217
  203    HD2  PHE  23           HD2      PHE  23   4.099  -1.298   3.857
  204    HE1  PHE  23           HE1      PHE  23   3.625  -5.576   6.240
  205    HE2  PHE  23           HE2      PHE  23   2.711  -1.432   5.884
  206    HZ   PHE  23           HZ       PHE  23   2.461  -3.570   7.074
  207    H    SER  24           HN       SER  24   8.666  -4.669   1.970
  208    HA   SER  24           HA       SER  24   9.723  -2.679   0.112
  209   1HB   SER  24           HB2      SER  24  11.321  -4.850  -0.275
  210   2HB   SER  24           HB3      SER  24  11.600  -3.636   0.970
  211    HG   SER  24           HG       SER  24  11.490  -6.057   1.510
  212    H    SER  25           HN       SER  25   7.795  -5.560   0.075
  213    HA   SER  25           HA       SER  25   7.708  -5.449  -2.873
  214   1HB   SER  25           HB2      SER  25   7.181  -8.037  -2.562
  215   2HB   SER  25           HB3      SER  25   8.839  -7.447  -2.635
  216    HG   SER  25           HG       SER  25   9.069  -7.722  -0.496
  217    H    GLN  26           HN       GLN  26   5.775  -6.572  -3.760
  218    HA   GLN  26           HA       GLN  26   3.368  -5.378  -2.832
  219   1HB   GLN  26           HB2      GLN  26   3.403  -7.747  -4.687
  220   2HB   GLN  26           HB3      GLN  26   2.389  -6.336  -4.711
  221   1HG   GLN  26           HG2      GLN  26   4.225  -4.964  -5.510
  222   2HG   GLN  26           HG3      GLN  26   5.306  -6.350  -5.429
  223   1HE2  GLN  26          HE22      GLN  26   4.020  -5.792  -8.905
  224   2HE2  GLN  26          HE21      GLN  26   4.672  -4.725  -7.711
  225    H    GLY  27           HN       GLY  27   4.226  -8.830  -3.103
  226   1HA   GLY  27           HA1      GLY  27   2.178 -10.020  -1.730
  227   2HA   GLY  27           HA2      GLY  27   3.815 -10.641  -1.719
  228    H    GLU  28           HN       GLU  28   4.823  -8.255  -0.244
  229    HA   GLU  28           HA       GLU  28   4.503  -9.198   2.410
  230   1HB   GLU  28           HB2      GLU  28   6.422  -7.783   1.267
  231   2HB   GLU  28           HB3      GLU  28   5.466  -6.418   1.811
  232   1HG   GLU  28           HG2      GLU  28   6.763  -6.597   3.641
  233   2HG   GLU  28           HG3      GLU  28   5.572  -7.809   4.109
  234    H    ILE  29           HN       ILE  29   3.239  -6.301   0.737
  235    HA   ILE  29           HA       ILE  29   1.652  -5.516   3.004
  236    HB   ILE  29           HB       ILE  29   1.955  -3.556   2.074
  237   1HG1  ILE  29          HG12      ILE  29   0.041  -4.391  -0.108
  238   2HG1  ILE  29          HG13      ILE  29  -0.418  -3.761   1.478
  239   1HG2  ILE  29          HG23      ILE  29   3.709  -4.422   0.640
  240   2HG2  ILE  29          HG21      ILE  29   2.515  -4.808  -0.598
  241   3HG2  ILE  29          HG22      ILE  29   2.810  -3.133  -0.152
  242   1HD1  ILE  29          HD11      ILE  29   1.328  -1.853   0.542
  243   2HD1  ILE  29          HD12      ILE  29   0.460  -2.349  -0.912
  244   3HD1  ILE  29          HD13      ILE  29  -0.432  -1.762   0.493
  245    H    VAL  30           HN       VAL  30   1.192  -7.676   0.387
  246    HA   VAL  30           HA       VAL  30  -1.655  -7.672   0.198
  247    HB   VAL  30           HB       VAL  30   0.323  -9.920  -0.310
  248   1HG1  VAL  30          HG11      VAL  30  -2.612  -9.759  -0.948
  249   2HG1  VAL  30          HG12      VAL  30  -1.516 -10.959  -1.623
  250   3HG1  VAL  30          HG13      VAL  30  -1.819 -10.922   0.112
  251   1HG2  VAL  30          HG21      VAL  30   0.320  -7.769  -1.759
  252   2HG2  VAL  30          HG22      VAL  30   0.326  -9.340  -2.551
  253   3HG2  VAL  30          HG23      VAL  30  -1.171  -8.426  -2.422
  254    H    ALA  31           HN       ALA  31   0.615  -9.765   1.996
  255    HA   ALA  31           HA       ALA  31  -1.347 -11.121   3.534
  256   1HB   ALA  31           HB3      ALA  31   1.605 -10.720   4.020
  257   2HB   ALA  31           HB1      ALA  31   0.573 -11.786   4.975
  258   3HB   ALA  31           HB2      ALA  31   0.822 -12.107   3.259
  259    H    ALA  32           HN       ALA  32   0.426  -8.103   4.011
  260    HA   ALA  32           HA       ALA  32  -0.087  -7.680   6.734
  261   1HB   ALA  32           HB2      ALA  32   1.510  -6.379   5.328
  262   2HB   ALA  32           HB3      ALA  32   0.133  -5.513   4.649
  263   3HB   ALA  32           HB1      ALA  32   0.490  -5.392   6.372
  264    H    LEU  33           HN       LEU  33  -2.023  -6.618   3.898
  265    HA   LEU  33           HA       LEU  33  -4.038  -5.397   5.533
  266   1HB   LEU  33           HB2      LEU  33  -4.092  -6.118   2.603
  267   2HB   LEU  33           HB3      LEU  33  -5.369  -5.232   3.431
  268    HG   LEU  33           HG       LEU  33  -2.514  -4.247   3.308
  269   1HD1  LEU  33          HD12      LEU  33  -4.623  -4.124   1.273
  270   2HD1  LEU  33          HD13      LEU  33  -3.883  -2.569   1.664
  271   3HD1  LEU  33          HD11      LEU  33  -2.881  -3.920   1.118
  272   1HD2  LEU  33          HD22      LEU  33  -5.126  -2.913   4.000
  273   2HD2  LEU  33          HD23      LEU  33  -3.809  -3.296   5.109
  274   3HD2  LEU  33          HD21      LEU  33  -3.575  -2.089   3.849
  275    H    GLN  34           HN       GLN  34  -3.591  -8.632   4.179
  276    HA   GLN  34           HA       GLN  34  -6.216  -9.599   4.661
  277   1HB   GLN  34           HB2      GLN  34  -3.542 -10.949   4.422
  278   2HB   GLN  34           HB3      GLN  34  -4.966 -11.866   4.890
  279   1HG   GLN  34           HG2      GLN  34  -6.067 -10.946   2.798
  280   2HG   GLN  34           HG3      GLN  34  -4.461 -10.411   2.312
  281   1HE2  GLN  34          HE22      GLN  34  -3.591 -13.513   1.050
  282   2HE2  GLN  34          HE21      GLN  34  -3.348 -11.802   1.120
  283    H    GLU  35           HN       GLU  35  -3.398  -9.224   6.741
  284    HA   GLU  35           HA       GLU  35  -4.569 -10.524   9.031
  285   1HB   GLU  35           HB2      GLU  35  -2.147  -8.734   8.718
  286   2HB   GLU  35           HB3      GLU  35  -2.619  -9.465  10.244
  287   1HG   GLU  35           HG2      GLU  35  -2.096 -11.119   7.792
  288   2HG   GLU  35           HG3      GLU  35  -0.799 -10.610   8.876
  289    H    GLN  36           HN       GLN  36  -4.452  -7.259   7.757
  290    HA   GLN  36           HA       GLN  36  -5.138  -5.794  10.069
  291   1HB   GLN  36           HB2      GLN  36  -5.376  -5.272   7.127
  292   2HB   GLN  36           HB3      GLN  36  -6.078  -4.155   8.273
  293   1HG   GLN  36           HG2      GLN  36  -3.277  -4.933   8.782
  294   2HG   GLN  36           HG3      GLN  36  -3.563  -3.969   7.338
  295   1HE2  GLN  36          HE22      GLN  36  -3.726  -1.013   9.117
  296   2HE2  GLN  36          HE21      GLN  36  -3.422  -1.856   7.641
  297    H    GLY  37           HN       GLY  37  -7.200  -7.179   7.510
  298   1HA   GLY  37           HA1      GLY  37  -9.317  -8.064   8.871
  299   2HA   GLY  37           HA2      GLY  37  -9.616  -6.332   8.925
  300    H    PHE  38           HN       PHE  38  -8.099  -7.658   6.078
  301    HA   PHE  38           HA       PHE  38 -10.644  -7.249   4.620
  302   1HB   PHE  38           HB2      PHE  38  -7.823  -6.905   3.583
  303   2HB   PHE  38           HB3      PHE  38  -9.318  -6.532   2.721
  304    HD1  PHE  38           HD1      PHE  38 -10.852  -4.753   3.708
  305    HD2  PHE  38           HD2      PHE  38  -6.857  -5.318   5.052
  306    HE1  PHE  38           HE1      PHE  38 -10.862  -2.523   4.744
  307    HE2  PHE  38           HE2      PHE  38  -6.871  -3.105   6.077
  308    HZ   PHE  38           HZ       PHE  38  -8.865  -1.699   5.918
  309    H    ASP  39           HN       ASP  39 -11.213  -8.640   2.959
  310    HA   ASP  39           HA       ASP  39  -9.735 -11.130   2.680
  311   1HB   ASP  39           HB2      ASP  39 -11.688 -11.384   4.288
  312   2HB   ASP  39           HB3      ASP  39 -12.728 -11.090   2.908
  313    H    ASN  40           HN       ASN  40  -9.503 -11.691   0.730
  314    HA   ASN  40           HA       ASN  40  -9.941 -12.072  -1.549
  315   1HB   ASN  40           HB2      ASN  40 -12.344 -11.179  -1.233
  316   2HB   ASN  40           HB3      ASN  40 -11.690  -9.599  -1.654
  317   1HD2  ASN  40          HD22      ASN  40 -11.872 -12.522  -4.515
  318   2HD2  ASN  40          HD21      ASN  40 -11.750 -12.945  -2.839
  319    H    ILE  41           HN       ILE  41  -7.873 -10.840  -0.211
  320    HA   ILE  41           HA       ILE  41  -7.095  -8.571  -1.920
  321    HB   ILE  41           HB       ILE  41  -6.517  -9.276   0.903
  322   1HG1  ILE  41          HG12      ILE  41  -6.701  -6.901   1.211
  323   2HG1  ILE  41          HG13      ILE  41  -6.522  -6.610  -0.516
  324   1HG2  ILE  41          HG22      ILE  41  -4.424  -8.112  -0.903
  325   2HG2  ILE  41          HG23      ILE  41  -4.470  -7.767   0.826
  326   3HG2  ILE  41          HG21      ILE  41  -4.275  -9.426   0.267
  327   1HD1  ILE  41          HD12      ILE  41  -8.838  -8.141   0.599
  328   2HD1  ILE  41          HD13      ILE  41  -8.833  -6.386   0.454
  329   3HD1  ILE  41          HD11      ILE  41  -8.663  -7.385  -0.986
  330    H    ASN  42           HN       ASN  42  -5.927  -9.110  -3.577
  331    HA   ASN  42           HA       ASN  42  -4.047 -11.395  -3.420
  332   1HB   ASN  42           HB2      ASN  42  -4.425 -11.501  -5.973
  333   2HB   ASN  42           HB3      ASN  42  -5.709 -12.097  -4.931
  334   1HD2  ASN  42          HD22      ASN  42  -8.083  -9.775  -5.962
  335   2HD2  ASN  42          HD21      ASN  42  -7.660 -11.081  -4.907
  336    H    GLN  43           HN       GLN  43  -2.228 -11.269  -5.008
  337    HA   GLN  43           HA       GLN  43  -0.760  -8.899  -4.635
  338   1HB   GLN  43           HB2      GLN  43   0.023 -11.353  -5.198
  339   2HB   GLN  43           HB3      GLN  43  -0.024 -10.766  -6.855
  340   1HG   GLN  43           HG2      GLN  43   1.569  -9.040  -6.347
  341   2HG   GLN  43           HG3      GLN  43   1.512  -9.429  -4.631
  342   1HE2  GLN  43          HE22      GLN  43   3.617 -11.807  -7.199
  343   2HE2  GLN  43          HE21      GLN  43   2.357 -10.778  -7.785
  344    H    SER  44           HN       SER  44  -2.898  -9.870  -7.238
  345    HA   SER  44           HA       SER  44  -2.061  -8.032  -9.193
  346   1HB   SER  44           HB2      SER  44  -4.876  -8.971  -8.920
  347   2HB   SER  44           HB3      SER  44  -3.959  -8.658 -10.369
  348    HG   SER  44           HG       SER  44  -3.318 -10.645 -10.367
  349    H    LYS  45           HN       LYS  45  -4.482  -7.822  -6.623
  350    HA   LYS  45           HA       LYS  45  -5.408  -5.200  -7.277
  351   1HB   LYS  45           HB2      LYS  45  -6.319  -7.163  -5.625
  352   2HB   LYS  45           HB3      LYS  45  -5.594  -6.086  -4.445
  353   1HG   LYS  45           HG2      LYS  45  -7.247  -4.588  -4.631
  354   2HG   LYS  45           HG3      LYS  45  -7.304  -4.712  -6.390
  355   1HD   LYS  45           HD2      LYS  45  -8.752  -6.557  -6.330
  356   2HD   LYS  45           HD3      LYS  45  -8.385  -6.901  -4.639
  357   1HE   LYS  45           HE2      LYS  45 -10.644  -5.885  -5.105
  358   2HE   LYS  45           HE3      LYS  45  -9.671  -5.081  -3.876
  359   1HZ   LYS  45           HZ1      LYS  45  -9.782  -4.188  -6.711
  360   2HZ   LYS  45           HZ3      LYS  45 -10.821  -3.589  -5.504
  361   3HZ   LYS  45           HZ2      LYS  45  -9.141  -3.342  -5.379
  362    H    VAL  46           HN       VAL  46  -2.808  -6.456  -5.304
  363    HA   VAL  46           HA       VAL  46  -2.136  -3.973  -4.013
  364    HB   VAL  46           HB       VAL  46  -0.820  -6.668  -4.158
  365   1HG1  VAL  46          HG11      VAL  46   1.002  -5.031  -4.131
  366   2HG1  VAL  46          HG12      VAL  46   0.282  -4.263  -2.716
  367   3HG1  VAL  46          HG13      VAL  46   0.891  -5.909  -2.618
  368   1HG2  VAL  46          HG23      VAL  46  -2.344  -5.068  -2.141
  369   2HG2  VAL  46          HG21      VAL  46  -2.537  -6.754  -2.615
  370   3HG2  VAL  46          HG22      VAL  46  -1.184  -6.272  -1.592
  371    H    SER  47           HN       SER  47  -0.854  -5.791  -6.806
  372    HA   SER  47           HA       SER  47   1.245  -3.940  -7.359
  373   1HB   SER  47           HB2      SER  47   1.225  -5.075  -9.653
  374   2HB   SER  47           HB3      SER  47   1.521  -6.111  -8.261
  375    HG   SER  47           HG       SER  47  -0.478  -6.961  -8.426
  376    H    ARG  48           HN       ARG  48  -2.119  -4.217  -8.440
  377    HA   ARG  48           HA       ARG  48  -1.972  -2.168 -10.417
  378   1HB   ARG  48           HB2      ARG  48  -4.229  -3.563  -9.009
  379   2HB   ARG  48           HB3      ARG  48  -4.568  -2.123  -9.959
  380   1HG   ARG  48           HG2      ARG  48  -3.364  -4.708 -10.938
  381   2HG   ARG  48           HG3      ARG  48  -4.949  -4.033 -11.327
  382   1HD   ARG  48           HD2      ARG  48  -3.423  -1.988 -12.132
  383   2HD   ARG  48           HD3      ARG  48  -2.252  -3.293 -12.335
  384    HE   ARG  48           HE       ARG  48  -4.797  -3.894 -13.528
  385   1HH1  ARG  48          HH12      ARG  48  -1.785  -2.161 -14.015
  386   2HH1  ARG  48          HH11      ARG  48  -1.886  -2.199 -15.756
  387   1HH2  ARG  48          HH22      ARG  48  -4.933  -3.968 -15.818
  388   2HH2  ARG  48          HH21      ARG  48  -3.680  -3.229 -16.782
  389    H    MET  49           HN       MET  49  -2.946  -2.138  -6.983
  390    HA   MET  49           HA       MET  49  -3.670   0.595  -6.902
  391   1HB   MET  49           HB2      MET  49  -3.005  -1.440  -4.812
  392   2HB   MET  49           HB3      MET  49  -3.068   0.252  -4.347
  393   1HG   MET  49           HG2      MET  49  -5.364   0.341  -5.369
  394   2HG   MET  49           HG3      MET  49  -5.278  -1.410  -5.509
  395   1HE   MET  49           HE1      MET  49  -5.661  -3.035  -3.779
  396   2HE   MET  49           HE2      MET  49  -4.190  -2.671  -2.875
  397   3HE   MET  49           HE3      MET  49  -5.740  -2.755  -2.040
  398    H    LEU  50           HN       LEU  50  -0.549  -1.018  -6.553
  399    HA   LEU  50           HA       LEU  50   0.917   1.166  -5.533
  400   1HB   LEU  50           HB2      LEU  50   1.665  -1.301  -7.079
  401   2HB   LEU  50           HB3      LEU  50   2.871  -0.056  -6.804
  402    HG   LEU  50           HG       LEU  50   1.326  -1.209  -4.512
  403   1HD1  LEU  50          HD11      LEU  50   3.636  -2.442  -5.961
  404   2HD1  LEU  50          HD12      LEU  50   3.400  -2.710  -4.235
  405   3HD1  LEU  50          HD13      LEU  50   2.156  -3.200  -5.379
  406   1HD2  LEU  50          HD23      LEU  50   3.986   0.140  -4.796
  407   2HD2  LEU  50          HD21      LEU  50   2.554   0.711  -3.931
  408   3HD2  LEU  50          HD22      LEU  50   3.458  -0.676  -3.326
  409    H    THR  51           HN       THR  51   0.404   0.063  -8.899
  410    HA   THR  51           HA       THR  51   1.814   2.235 -10.103
  411    HB   THR  51           HB       THR  51  -0.344   0.610 -11.460
  412    HG1  THR  51           HG1      THR  51   2.305  -0.167 -10.786
  413   1HG2  THR  51          HG23      THR  51   0.891   2.501 -12.664
  414   2HG2  THR  51          HG22      THR  51   2.291   1.431 -12.626
  415   3HG2  THR  51          HG21      THR  51   0.816   0.925 -13.450
  416    H    LYS  52           HN       LYS  52  -1.605   1.608  -9.413
  417    HA   LYS  52           HA       LYS  52  -2.793   3.800 -10.679
  418   1HB   LYS  52           HB2      LYS  52  -3.994   1.845  -9.690
  419   2HB   LYS  52           HB3      LYS  52  -3.661   2.484  -8.085
  420   1HG   LYS  52           HG2      LYS  52  -4.893   4.596  -9.411
  421   2HG   LYS  52           HG3      LYS  52  -5.754   3.161  -9.973
  422   1HD   LYS  52           HD2      LYS  52  -5.869   2.497  -7.489
  423   2HD   LYS  52           HD3      LYS  52  -5.433   4.175  -7.161
  424   1HE   LYS  52           HE2      LYS  52  -7.867   3.157  -8.628
  425   2HE   LYS  52           HE3      LYS  52  -7.827   3.992  -7.076
  426   1HZ   LYS  52           HZ2      LYS  52  -6.879   5.939  -8.305
  427   2HZ   LYS  52           HZ1      LYS  52  -7.240   5.123  -9.759
  428   3HZ   LYS  52           HZ3      LYS  52  -8.495   5.557  -8.690
  429    H    PHE  53           HN       PHE  53  -1.814   3.509  -7.263
  430    HA   PHE  53           HA       PHE  53  -2.299   6.275  -6.683
  431   1HB   PHE  53           HB2      PHE  53  -0.986   4.031  -5.140
  432   2HB   PHE  53           HB3      PHE  53  -1.159   5.654  -4.490
  433    HD1  PHE  53           HD1      PHE  53  -3.827   6.471  -5.269
  434    HD2  PHE  53           HD2      PHE  53  -2.470   2.627  -4.015
  435    HE1  PHE  53           HE1      PHE  53  -6.092   5.919  -4.494
  436    HE2  PHE  53           HE2      PHE  53  -4.726   2.084  -3.234
  437    HZ   PHE  53           HZ       PHE  53  -6.544   3.724  -3.475
  438    H    GLY  54           HN       GLY  54   0.434   4.531  -7.908
  439   1HA   GLY  54           HA1      GLY  54   2.412   5.375  -8.769
  440   2HA   GLY  54           HA2      GLY  54   1.935   6.976  -8.230
  441    H    ALA  55           HN       ALA  55   2.650   3.876  -6.601
  442    HA   ALA  55           HA       ALA  55   3.972   5.230  -4.419
  443   1HB   ALA  55           HB2      ALA  55   2.591   3.215  -4.064
  444   2HB   ALA  55           HB3      ALA  55   3.772   2.273  -4.973
  445   3HB   ALA  55           HB1      ALA  55   4.233   3.030  -3.448
  446    H    VAL  56           HN       VAL  56   6.111   5.453  -4.060
  447    HA   VAL  56           HA       VAL  56   8.001   4.446  -6.099
  448    HB   VAL  56           HB       VAL  56   9.500   6.242  -5.483
  449   1HG1  VAL  56          HG12      VAL  56   7.162   6.603  -6.831
  450   2HG1  VAL  56          HG13      VAL  56   7.052   7.863  -5.600
  451   3HG1  VAL  56          HG11      VAL  56   8.436   7.814  -6.691
  452   1HG2  VAL  56          HG22      VAL  56   7.632   6.598  -3.195
  453   2HG2  VAL  56          HG23      VAL  56   9.392   6.708  -3.251
  454   3HG2  VAL  56          HG21      VAL  56   8.405   8.034  -3.861
  455    H    ARG  57           HN       ARG  57  10.209   3.894  -5.241
  456    HA   ARG  57           HA       ARG  57  10.018   2.606  -2.580
  457   1HB   ARG  57           HB2      ARG  57  12.031   1.668  -4.591
  458   2HB   ARG  57           HB3      ARG  57  11.259   0.797  -3.273
  459   1HG   ARG  57           HG2      ARG  57   9.103   1.153  -4.740
  460   2HG   ARG  57           HG3      ARG  57  10.282   1.308  -6.036
  461   1HD   ARG  57           HD2      ARG  57   9.365  -1.059  -4.595
  462   2HD   ARG  57           HD3      ARG  57  10.124  -0.933  -6.173
  463    HE   ARG  57           HE       ARG  57  11.364  -1.666  -3.712
  464   1HH1  ARG  57          HH12      ARG  57  11.999  -0.099  -6.779
  465   2HH1  ARG  57          HH11      ARG  57  13.703  -0.461  -6.753
  466   1HH2  ARG  57          HH22      ARG  57  13.575  -2.139  -3.666
  467   2HH2  ARG  57          HH21      ARG  57  14.603  -1.621  -4.982
  468    H    THR  58           HN       THR  58  11.546   3.150  -1.070
  469    HA   THR  58           HA       THR  58  14.055   4.352  -1.870
  470    HB   THR  58           HB       THR  58  12.215   6.188  -1.950
  471    HG1  THR  58           HG1      THR  58  13.789   7.572  -1.690
  472   1HG2  THR  58          HG22      THR  58  11.362   5.548   0.390
  473   2HG2  THR  58          HG21      THR  58  12.752   6.457   0.977
  474   3HG2  THR  58          HG23      THR  58  11.538   7.251  -0.020
  475    H    ARG  59           HN       ARG  59  15.145   5.341   0.192
  476    HA   ARG  59           HA       ARG  59  15.415   3.191   2.079
  477   1HB   ARG  59           HB2      ARG  59  17.480   4.100   1.823
  478   2HB   ARG  59           HB3      ARG  59  16.851   5.682   1.398
  479   1HG   ARG  59           HG2      ARG  59  16.624   6.309   3.673
  480   2HG   ARG  59           HG3      ARG  59  16.912   4.657   4.224
  481   1HD   ARG  59           HD2      ARG  59  18.880   6.063   4.552
  482   2HD   ARG  59           HD3      ARG  59  19.205   4.761   3.416
  483    HE   ARG  59           HE       ARG  59  18.998   7.628   2.812
  484   1HH1  ARG  59          HH12      ARG  59  19.549   4.361   1.651
  485   2HH1  ARG  59          HH11      ARG  59  20.229   4.872   0.134
  486   1HH2  ARG  59          HH22      ARG  59  19.908   8.304   0.818
  487   2HH2  ARG  59          HH21      ARG  59  20.443   7.110  -0.333
  488    H    ASN  60           HN       ASN  60  14.432   2.977   4.007
  489    HA   ASN  60           HA       ASN  60  12.591   5.039   4.903
  490   1HB   ASN  60           HB2      ASN  60  11.713   3.373   6.450
  491   2HB   ASN  60           HB3      ASN  60  11.817   2.718   4.826
  492   1HD2  ASN  60          HD22      ASN  60  12.951   0.014   6.912
  493   2HD2  ASN  60          HD21      ASN  60  11.497   0.838   6.469
  494    H    ALA  61           HN       ALA  61  12.834   4.041   7.728
  495    HA   ALA  61           HA       ALA  61  14.556   6.117   8.654
  496   1HB   ALA  61           HB2      ALA  61  13.032   3.978  10.132
  497   2HB   ALA  61           HB3      ALA  61  13.916   5.288  10.915
  498   3HB   ALA  61           HB1      ALA  61  12.546   5.653   9.866
  499    H    LYS  62           HN       LYS  62  15.070   2.716   8.054
  500    HA   LYS  62           HA       LYS  62  17.708   2.934   9.360
  501   1HB   LYS  62           HB2      LYS  62  15.963   0.459   9.349
  502   2HB   LYS  62           HB3      LYS  62  17.600   0.568   9.988
  503   1HG   LYS  62           HG2      LYS  62  16.581   0.929  11.947
  504   2HG   LYS  62           HG3      LYS  62  16.404   2.579  11.357
  505   1HD   LYS  62           HD2      LYS  62  14.202   2.350  11.630
  506   2HD   LYS  62           HD3      LYS  62  14.216   1.225  10.273
  507   1HE   LYS  62           HE2      LYS  62  13.104   0.197  12.144
  508   2HE   LYS  62           HE3      LYS  62  14.637  -0.625  11.862
  509   1HZ   LYS  62           HZ3      LYS  62  14.541   1.574  13.821
  510   2HZ   LYS  62           HZ2      LYS  62  13.922   0.048  14.262
  511   3HZ   LYS  62           HZ1      LYS  62  15.546   0.200  13.781
  512    H    MET  63           HN       MET  63  17.533   3.579   6.747
  513    HA   MET  63           HA       MET  63  18.500   3.205   4.729
  514   1HB   MET  63           HB2      MET  63  20.167   1.062   6.022
  515   2HB   MET  63           HB3      MET  63  20.631   2.232   4.802
  516   1HG   MET  63           HG2      MET  63  20.026   3.912   6.799
  517   2HG   MET  63           HG3      MET  63  20.528   2.505   7.723
  518   1HE   MET  63           HE1      MET  63  22.597   1.089   6.338
  519   2HE   MET  63           HE2      MET  63  24.151   1.917   6.388
  520   3HE   MET  63           HE3      MET  63  23.212   1.715   7.865
  521    H    GLU  64           HN       GLU  64  16.153   1.409   5.294
  522    HA   GLU  64           HA       GLU  64  16.873  -0.876   3.577
  523   1HB   GLU  64           HB2      GLU  64  14.630  -0.465   5.542
  524   2HB   GLU  64           HB3      GLU  64  14.582  -1.749   4.345
  525   1HG   GLU  64           HG2      GLU  64  16.922  -1.438   6.196
  526   2HG   GLU  64           HG3      GLU  64  15.459  -2.276   6.707
  527    H    MET  65           HN       MET  65  16.138  -1.020   1.562
  528    HA   MET  65           HA       MET  65  14.641   1.123   0.375
  529   1HB   MET  65           HB2      MET  65  15.877  -1.419  -0.626
  530   2HB   MET  65           HB3      MET  65  14.670  -0.624  -1.622
  531   1HG   MET  65           HG2      MET  65  16.988   0.927  -0.551
  532   2HG   MET  65           HG3      MET  65  17.169  -0.090  -1.982
  533   1HE   MET  65           HE2      MET  65  16.760   3.322  -0.885
  534   2HE   MET  65           HE3      MET  65  17.813   2.984  -2.254
  535   3HE   MET  65           HE1      MET  65  16.440   4.071  -2.451
  536    H    VAL  66           HN       VAL  66  12.520   1.284   0.879
  537    HA   VAL  66           HA       VAL  66  10.813  -1.077   0.469
  538    HB   VAL  66           HB       VAL  66   9.405  -0.415   2.406
  539   1HG1  VAL  66          HG11      VAL  66  12.289  -1.099   2.982
  540   2HG1  VAL  66          HG12      VAL  66  10.998  -1.187   4.173
  541   3HG1  VAL  66          HG13      VAL  66  10.944  -2.213   2.741
  542   1HG2  VAL  66          HG22      VAL  66  11.598   1.606   2.810
  543   2HG2  VAL  66          HG23      VAL  66   9.855   1.869   2.734
  544   3HG2  VAL  66          HG21      VAL  66  10.568   1.062   4.131
  545    H    TYR  67           HN       TYR  67   8.497  -0.488   0.308
  546    HA   TYR  67           HA       TYR  67   8.089   1.517  -1.683
  547   1HB   TYR  67           HB2      TYR  67   6.383  -0.515  -0.292
  548   2HB   TYR  67           HB3      TYR  67   5.573   0.834  -1.065
  549    HD1  TYR  67           HD2      TYR  67   7.015   1.247  -3.538
  550    HD2  TYR  67           HD1      TYR  67   5.962  -2.385  -1.582
  551    HE1  TYR  67           HE2      TYR  67   7.031   0.083  -5.701
  552    HE2  TYR  67           HE1      TYR  67   5.963  -3.560  -3.744
  553    HH   TYR  67           HH       TYR  67   6.795  -3.377  -5.933
  554    H    CYS  68           HN       CYS  68   7.071   3.469  -1.520
  555    HA   CYS  68           HA       CYS  68   5.816   4.317   0.955
  556   1HB   CYS  68           HB2      CYS  68   7.183   6.446   0.999
  557   2HB   CYS  68           HB3      CYS  68   8.058   4.999   1.464
  558    HG   CYS  68           HG       CYS  68   8.952   6.839  -0.626
  559    H    LEU  69           HN       LEU  69   4.860   6.566   0.670
  560    HA   LEU  69           HA       LEU  69   3.803   6.732  -2.081
  561   1HB   LEU  69           HB2      LEU  69   2.375   6.306   0.130
  562   2HB   LEU  69           HB3      LEU  69   2.417   8.057   0.198
  563    HG   LEU  69           HG       LEU  69   1.514   8.052  -2.175
  564   1HD1  LEU  69          HD13      LEU  69   2.054   5.326  -1.999
  565   2HD1  LEU  69          HD11      LEU  69   0.299   5.431  -1.874
  566   3HD1  LEU  69          HD12      LEU  69   1.128   6.138  -3.263
  567   1HD2  LEU  69          HD23      LEU  69  -0.131   6.898   0.076
  568   2HD2  LEU  69          HD21      LEU  69   0.105   8.603  -0.307
  569   3HD2  LEU  69          HD22      LEU  69  -0.792   7.568  -1.416
  570    HA   PRO  70           HA       PRO  70   5.596  10.884  -2.145
  571   1HB   PRO  70           HB2      PRO  70   5.350  11.332  -4.743
  572   2HB   PRO  70           HB3      PRO  70   6.436  10.061  -4.182
  573   1HG   PRO  70           HG2      PRO  70   3.661   9.822  -5.287
  574   2HG   PRO  70           HG3      PRO  70   5.093   8.846  -5.651
  575   1HD   PRO  70           HD2      PRO  70   3.098   8.167  -3.839
  576   2HD   PRO  70           HD3      PRO  70   4.730   7.476  -3.863
  577    H    ALA  71           HN       ALA  71   4.458  12.751  -3.930
  578    HA   ALA  71           HA       ALA  71   2.048  13.535  -2.565
  579   1HB   ALA  71           HB2      ALA  71   3.950  14.820  -4.258
  580   2HB   ALA  71           HB3      ALA  71   2.347  15.061  -4.944
  581   3HB   ALA  71           HB1      ALA  71   2.677  15.542  -3.283
  582    H    GLU  72           HN       GLU  72  -0.002  13.990  -3.785
  583    HA   GLU  72           HA       GLU  72  -1.048  11.680  -4.888
  584   1HB   GLU  72           HB2      GLU  72  -2.087  14.492  -5.286
  585   2HB   GLU  72           HB3      GLU  72  -3.010  13.006  -5.480
  586   1HG   GLU  72           HG2      GLU  72  -2.122  12.660  -2.964
  587   2HG   GLU  72           HG3      GLU  72  -2.177  14.423  -3.022
  588    H    LEU  73           HN       LEU  73  -0.371  10.720  -6.661
  589    HA   LEU  73           HA       LEU  73   0.269  12.285  -9.068
  590   1HB   LEU  73           HB2      LEU  73   1.227   9.658  -7.988
  591   2HB   LEU  73           HB3      LEU  73   1.213   9.886  -9.728
  592    HG   LEU  73           HG       LEU  73   2.631  11.769  -7.840
  593   1HD1  LEU  73          HD11      LEU  73   3.632   9.307  -9.250
  594   2HD1  LEU  73          HD12      LEU  73   4.703  10.587  -8.675
  595   3HD1  LEU  73          HD13      LEU  73   3.709   9.684  -7.530
  596   1HD2  LEU  73          HD23      LEU  73   2.077  12.693 -10.041
  597   2HD2  LEU  73          HD21      LEU  73   3.814  12.470  -9.848
  598   3HD2  LEU  73          HD22      LEU  73   2.881  11.327 -10.815
  599    H    GLY  74           HN       GLY  74  -1.686  12.566 -10.007
  600   1HA   GLY  74           HA1      GLY  74  -2.843  10.338 -11.412
  601   2HA   GLY  74           HA2      GLY  74  -3.881  10.927 -10.121
  602    H    VAL  75           HN       VAL  75  -3.841  13.525 -10.144
  603    HA   VAL  75           HA       VAL  75  -3.732  14.774 -12.692
  604    HB   VAL  75           HB       VAL  75  -5.773  13.565 -13.142
  605   1HG1  VAL  75          HG23      VAL  75  -6.445  13.246 -10.750
  606   2HG1  VAL  75          HG21      VAL  75  -7.058  14.900 -10.767
  607   3HG1  VAL  75          HG22      VAL  75  -7.759  13.689 -11.837
  608   1HG2  VAL  75          HG13      VAL  75  -5.582  15.849 -14.015
  609   2HG2  VAL  75          HG11      VAL  75  -7.256  15.382 -13.720
  610   3HG2  VAL  75          HG12      VAL  75  -6.431  16.456 -12.592
  611    HA   PRO  76           HA       PRO  76  -3.392  17.991  -9.585
  612   1HB   PRO  76           HB2      PRO  76  -2.543  19.975 -11.199
  613   2HB   PRO  76           HB3      PRO  76  -1.508  18.606 -10.776
  614   1HG   PRO  76           HG2      PRO  76  -3.081  19.089 -13.280
  615   2HG   PRO  76           HG3      PRO  76  -1.433  18.460 -13.096
  616   1HD   PRO  76           HD2      PRO  76  -3.643  16.885 -13.519
  617   2HD   PRO  76           HD3      PRO  76  -2.166  16.319 -12.715
  618    H    THR  77           HN       THR  77  -5.758  17.901  -9.313
  619    HA   THR  77           HA       THR  77  -7.455  19.533 -10.955
  620    HB   THR  77           HB       THR  77  -8.034  17.409  -9.555
  621    HG1  THR  77           HG1      THR  77  -9.566  18.572 -10.733
  622   1HG2  THR  77          HG21      THR  77  -7.317  18.378  -7.339
  623   2HG2  THR  77          HG23      THR  77  -8.757  19.398  -7.414
  624   3HG2  THR  77          HG22      THR  77  -8.915  17.642  -7.392
  625    H    THR  78           HN       THR  78  -5.480  20.138  -8.181
  626    HA   THR  78           HA       THR  78  -6.312  22.933  -8.200
  627    HB   THR  78           HB       THR  78  -7.688  22.054  -6.422
  628    HG1  THR  78           HG1      THR  78  -6.657  24.058  -5.994
  629   1HG2  THR  78          HG22      THR  78  -5.192  20.859  -5.248
  630   2HG2  THR  78          HG21      THR  78  -6.726  21.020  -4.396
  631   3HG2  THR  78          HG23      THR  78  -6.617  20.005  -5.832
   
  No H/Q in entry =         631
  Start of MODEL   16
    1   1H    MET   1           HT2      MET   1 -21.514  13.323   1.290
    2   2H    MET   1           HT1      MET   1 -22.101  14.604   2.279
    3   3H    MET   1           HT3      MET   1 -20.404  14.393   2.056
    4    HA   MET   1           HA       MET   1 -20.569  13.418   4.012
    5   1HB   MET   1           HB2      MET   1 -22.916  13.982   4.321
    6   2HB   MET   1           HB3      MET   1 -23.406  12.680   3.248
    7   1HG   MET   1           HG2      MET   1 -23.740  12.185   5.646
    8   2HG   MET   1           HG3      MET   1 -22.705  11.024   4.822
    9   1HE   MET   1           HE3      MET   1 -23.406  12.960   7.675
   10   2HE   MET   1           HE1      MET   1 -21.924  13.137   8.605
   11   3HE   MET   1           HE2      MET   1 -22.340  14.325   7.371
   12    H    ARG   2           HN       ARG   2 -19.156  11.796   3.956
   13    HA   ARG   2           HA       ARG   2 -19.893   9.286   2.587
   14   1HB   ARG   2           HB2      ARG   2 -17.088  10.429   2.634
   15   2HB   ARG   2           HB3      ARG   2 -17.653   9.010   1.761
   16   1HG   ARG   2           HG2      ARG   2 -19.041  10.437   0.334
   17   2HG   ARG   2           HG3      ARG   2 -18.457  11.860   1.199
   18   1HD   ARG   2           HD2      ARG   2 -16.988  11.899  -0.529
   19   2HD   ARG   2           HD3      ARG   2 -16.100  10.825   0.546
   20    HE   ARG   2           HE       ARG   2 -16.475   9.071  -0.897
   21   1HH1  ARG   2          HH12      ARG   2 -18.423  11.834  -1.858
   22   2HH1  ARG   2          HH11      ARG   2 -18.864  11.145  -3.392
   23   1HH2  ARG   2          HH22      ARG   2 -17.058   8.169  -2.919
   24   2HH2  ARG   2          HH21      ARG   2 -18.100   9.072  -3.993
   25    H    SER   3           HN       SER   3 -19.563   7.485   3.733
   26    HA   SER   3           HA       SER   3 -18.193   7.692   6.351
   27   1HB   SER   3           HB2      SER   3 -19.817   5.463   6.568
   28   2HB   SER   3           HB3      SER   3 -20.194   7.067   7.192
   29    HG   SER   3           HG       SER   3 -21.623   7.380   5.635
   30    H    SER   4           HN       SER   4 -19.188   5.168   4.033
   31    HA   SER   4           HA       SER   4 -16.430   4.298   3.698
   32   1HB   SER   4           HB2      SER   4 -18.566   2.521   4.913
   33   2HB   SER   4           HB3      SER   4 -17.110   1.882   4.146
   34    HG   SER   4           HG       SER   4 -17.413   3.227   6.573
   35    H    ALA   5           HN       ALA   5 -16.660   4.936   1.559
   36    HA   ALA   5           HA       ALA   5 -18.873   4.024  -0.076
   37   1HB   ALA   5           HB2      ALA   5 -16.384   5.569  -0.792
   38   2HB   ALA   5           HB3      ALA   5 -17.736   5.254  -1.879
   39   3HB   ALA   5           HB1      ALA   5 -17.972   6.239  -0.437
   40    H    LYS   6           HN       LYS   6 -18.605   1.762   0.044
   41    HA   LYS   6           HA       LYS   6 -17.910  -0.303  -0.492
   42   1HB   LYS   6           HB2      LYS   6 -17.470   1.321  -2.965
   43   2HB   LYS   6           HB3      LYS   6 -17.252  -0.421  -2.960
   44   1HG   LYS   6           HG2      LYS   6 -19.788   0.933  -2.073
   45   2HG   LYS   6           HG3      LYS   6 -19.506   0.407  -3.730
   46   1HD   LYS   6           HD2      LYS   6 -18.926  -1.887  -2.494
   47   2HD   LYS   6           HD3      LYS   6 -19.991  -1.198  -1.267
   48   1HE   LYS   6           HE2      LYS   6 -21.295  -2.576  -2.747
   49   2HE   LYS   6           HE3      LYS   6 -21.737  -0.887  -2.994
   50   1HZ   LYS   6           HZ2      LYS   6 -19.743  -1.282  -4.803
   51   2HZ   LYS   6           HZ1      LYS   6 -20.569  -2.766  -4.840
   52   3HZ   LYS   6           HZ3      LYS   6 -21.413  -1.317  -5.148
   53    H    GLN   7           HN       GLN   7 -16.255  -0.537   0.978
   54    HA   GLN   7           HA       GLN   7 -14.214  -1.050   1.739
   55   1HB   GLN   7           HB2      GLN   7 -14.584  -2.350  -0.797
   56   2HB   GLN   7           HB3      GLN   7 -12.876  -2.031  -0.552
   57   1HG   GLN   7           HG2      GLN   7 -13.296  -3.014   1.816
   58   2HG   GLN   7           HG3      GLN   7 -14.738  -3.704   1.079
   59   1HE2  GLN   7          HE22      GLN   7 -11.908  -6.105   0.852
   60   2HE2  GLN   7          HE21      GLN   7 -12.639  -5.227   2.147
   61    H    GLU   8           HN       GLU   8 -14.350   1.669   1.142
   62    HA   GLU   8           HA       GLU   8 -11.899   2.497  -0.159
   63   1HB   GLU   8           HB2      GLU   8 -12.417   4.719   0.857
   64   2HB   GLU   8           HB3      GLU   8 -13.708   4.070  -0.143
   65   1HG   GLU   8           HG2      GLU   8 -15.087   3.662   1.656
   66   2HG   GLU   8           HG3      GLU   8 -13.759   3.606   2.807
   67    H    GLU   9           HN       GLU   9 -12.627   1.056   2.738
   68    HA   GLU   9           HA       GLU   9 -10.743   2.247   4.538
   69   1HB   GLU   9           HB2      GLU   9 -11.945  -0.529   4.697
   70   2HB   GLU   9           HB3      GLU   9 -11.250   0.407   6.011
   71   1HG   GLU   9           HG2      GLU   9 -13.392   0.871   6.469
   72   2HG   GLU   9           HG3      GLU   9 -13.190   2.099   5.222
   73    H    LEU  10           HN       LEU  10 -10.776  -0.285   2.162
   74    HA   LEU  10           HA       LEU  10  -8.287  -1.516   2.739
   75   1HB   LEU  10           HB2      LEU  10  -9.881  -2.573   1.246
   76   2HB   LEU  10           HB3      LEU  10  -9.826  -1.213   0.149
   77    HG   LEU  10           HG       LEU  10  -7.563  -1.767  -0.507
   78   1HD1  LEU  10          HD12      LEU  10  -7.749  -3.696   1.768
   79   2HD1  LEU  10          HD13      LEU  10  -6.692  -4.041   0.403
   80   3HD1  LEU  10          HD11      LEU  10  -6.453  -2.577   1.347
   81   1HD2  LEU  10          HD21      LEU  10  -9.817  -3.368  -0.995
   82   2HD2  LEU  10          HD22      LEU  10  -8.378  -3.187  -1.993
   83   3HD2  LEU  10          HD23      LEU  10  -8.459  -4.469  -0.788
   84    H    VAL  11           HN       VAL  11  -9.230   1.491   1.225
   85    HA   VAL  11           HA       VAL  11  -6.607   1.951   0.039
   86    HB   VAL  11           HB       VAL  11  -8.907   3.894   0.434
   87   1HG1  VAL  11          HG13      VAL  11  -6.190   4.243  -0.782
   88   2HG1  VAL  11          HG11      VAL  11  -7.570   5.164  -1.387
   89   3HG1  VAL  11          HG12      VAL  11  -7.079   5.319   0.302
   90   1HG2  VAL  11          HG23      VAL  11  -7.994   2.206  -1.881
   91   2HG2  VAL  11          HG21      VAL  11  -9.597   2.303  -1.152
   92   3HG2  VAL  11          HG22      VAL  11  -8.982   3.649  -2.112
   93    H    LYS  12           HN       LYS  12  -8.409   3.411   2.818
   94    HA   LYS  12           HA       LYS  12  -6.402   5.043   3.803
   95   1HB   LYS  12           HB2      LYS  12  -8.526   3.484   5.267
   96   2HB   LYS  12           HB3      LYS  12  -7.363   4.472   6.139
   97   1HG   LYS  12           HG2      LYS  12  -8.817   6.136   5.890
   98   2HG   LYS  12           HG3      LYS  12  -8.261   6.207   4.218
   99   1HD   LYS  12           HD2      LYS  12 -10.503   6.004   3.837
  100   2HD   LYS  12           HD3      LYS  12 -10.049   4.300   3.916
  101   1HE   LYS  12           HE2      LYS  12 -11.256   3.938   5.776
  102   2HE   LYS  12           HE3      LYS  12 -10.677   5.409   6.542
  103   1HZ   LYS  12           HZ1      LYS  12 -12.698   5.577   4.402
  104   2HZ   LYS  12           HZ3      LYS  12 -13.173   5.150   5.976
  105   3HZ   LYS  12           HZ2      LYS  12 -12.411   6.644   5.688
  106    H    ALA  13           HN       ALA  13  -6.865   1.594   4.385
  107    HA   ALA  13           HA       ALA  13  -4.630   1.212   6.100
  108   1HB   ALA  13           HB1      ALA  13  -6.491  -0.376   5.975
  109   2HB   ALA  13           HB2      ALA  13  -6.016  -0.807   4.332
  110   3HB   ALA  13           HB3      ALA  13  -4.941  -1.163   5.684
  111    H    PHE  14           HN       PHE  14  -5.044   0.535   2.596
  112    HA   PHE  14           HA       PHE  14  -2.506  -0.391   1.975
  113   1HB   PHE  14           HB2      PHE  14  -4.570  -0.199   0.460
  114   2HB   PHE  14           HB3      PHE  14  -4.071   1.429   0.151
  115    HD1  PHE  14           HD1      PHE  14  -3.188  -2.100  -0.327
  116    HD2  PHE  14           HD2      PHE  14  -2.226   1.935  -1.286
  117    HE1  PHE  14           HE1      PHE  14  -1.695  -2.881  -2.112
  118    HE2  PHE  14           HE2      PHE  14  -0.732   1.152  -3.077
  119    HZ   PHE  14           HZ       PHE  14  -0.475  -1.252  -3.488
  120    H    LYS  15           HN       LYS  15  -3.604   2.962   1.443
  121    HA   LYS  15           HA       LYS  15  -1.226   4.187   0.838
  122   1HB   LYS  15           HB2      LYS  15  -3.313   5.494   2.596
  123   2HB   LYS  15           HB3      LYS  15  -2.283   6.252   1.390
  124   1HG   LYS  15           HG2      LYS  15  -4.169   4.161   0.453
  125   2HG   LYS  15           HG3      LYS  15  -4.844   5.702   0.951
  126   1HD   LYS  15           HD2      LYS  15  -2.508   5.863  -0.818
  127   2HD   LYS  15           HD3      LYS  15  -3.922   5.099  -1.531
  128   1HE   LYS  15           HE2      LYS  15  -3.967   7.783  -0.162
  129   2HE   LYS  15           HE3      LYS  15  -3.782   7.590  -1.907
  130   1HZ   LYS  15           HZ2      LYS  15  -5.980   6.186  -1.520
  131   2HZ   LYS  15           HZ1      LYS  15  -6.129   7.239  -0.195
  132   3HZ   LYS  15           HZ3      LYS  15  -6.020   7.858  -1.772
  133    H    ALA  16           HN       ALA  16  -2.547   3.654   4.110
  134    HA   ALA  16           HA       ALA  16  -0.543   4.977   5.567
  135   1HB   ALA  16           HB2      ALA  16  -2.669   4.377   6.568
  136   2HB   ALA  16           HB3      ALA  16  -2.284   2.663   6.419
  137   3HB   ALA  16           HB1      ALA  16  -1.342   3.689   7.500
  138    H    LEU  17           HN       LEU  17  -0.812   1.511   4.691
  139    HA   LEU  17           HA       LEU  17   1.450   0.527   5.985
  140   1HB   LEU  17           HB2      LEU  17   0.257  -0.298   3.329
  141   2HB   LEU  17           HB3      LEU  17   1.498  -1.209   4.157
  142    HG   LEU  17           HG       LEU  17  -1.390  -0.918   4.795
  143   1HD1  LEU  17          HD12      LEU  17   0.548  -3.206   4.802
  144   2HD1  LEU  17          HD13      LEU  17  -1.159  -3.328   5.216
  145   3HD1  LEU  17          HD11      LEU  17  -0.675  -2.857   3.588
  146   1HD2  LEU  17          HD23      LEU  17   0.761  -1.434   6.825
  147   2HD2  LEU  17          HD21      LEU  17  -0.514  -0.215   6.871
  148   3HD2  LEU  17          HD22      LEU  17  -0.918  -1.921   7.043
  149    H    LEU  18           HN       LEU  18   1.196   1.948   2.754
  150    HA   LEU  18           HA       LEU  18   3.943   1.628   2.064
  151   1HB   LEU  18           HB2      LEU  18   1.953   3.626   0.976
  152   2HB   LEU  18           HB3      LEU  18   3.464   3.157   0.221
  153    HG   LEU  18           HG       LEU  18   1.277   1.149   0.725
  154   1HD1  LEU  18          HD12      LEU  18   1.286   3.364  -1.148
  155   2HD1  LEU  18          HD13      LEU  18   1.170   1.798  -1.954
  156   3HD1  LEU  18          HD11      LEU  18  -0.005   2.245  -0.718
  157   1HD2  LEU  18          HD23      LEU  18   3.566   1.265  -1.229
  158   2HD2  LEU  18          HD21      LEU  18   3.490   0.258   0.220
  159   3HD2  LEU  18          HD22      LEU  18   2.376  -0.028  -1.119
  160    H    LYS  19           HN       LYS  19   2.090   4.506   3.091
  161    HA   LYS  19           HA       LYS  19   4.244   6.289   3.101
  162   1HB   LYS  19           HB2      LYS  19   1.634   6.355   4.619
  163   2HB   LYS  19           HB3      LYS  19   2.764   7.705   4.557
  164   1HG   LYS  19           HG2      LYS  19   2.513   7.847   2.144
  165   2HG   LYS  19           HG3      LYS  19   1.463   6.433   2.137
  166   1HD   LYS  19           HD2      LYS  19  -0.230   7.900   2.244
  167   2HD   LYS  19           HD3      LYS  19   0.203   8.076   3.943
  168   1HE   LYS  19           HE2      LYS  19   1.070   9.825   1.640
  169   2HE   LYS  19           HE3      LYS  19   0.011  10.262   2.979
  170   1HZ   LYS  19           HZ1      LYS  19   1.934   9.874   4.480
  171   2HZ   LYS  19           HZ3      LYS  19   2.926   9.695   3.106
  172   3HZ   LYS  19           HZ2      LYS  19   2.147  11.177   3.402
  173    H    GLU  20           HN       GLU  20   3.445   3.872   5.466
  174    HA   GLU  20           HA       GLU  20   4.924   5.100   7.626
  175   1HB   GLU  20           HB2      GLU  20   3.622   2.418   7.226
  176   2HB   GLU  20           HB3      GLU  20   4.727   2.676   8.570
  177   1HG   GLU  20           HG2      GLU  20   3.176   4.790   8.969
  178   2HG   GLU  20           HG3      GLU  20   2.014   3.792   8.100
  179    H    GLU  21           HN       GLU  21   5.818   3.446   4.797
  180    HA   GLU  21           HA       GLU  21   7.763   2.633   3.969
  181   1HB   GLU  21           HB2      GLU  21   8.982   4.232   6.236
  182   2HB   GLU  21           HB3      GLU  21   9.854   3.614   4.841
  183   1HG   GLU  21           HG2      GLU  21   8.769   5.079   3.367
  184   2HG   GLU  21           HG3      GLU  21   7.506   5.461   4.529
  185    H    LYS  22           HN       LYS  22   7.116   0.459   4.580
  186    HA   LYS  22           HA       LYS  22   9.032  -0.777   6.426
  187   1HB   LYS  22           HB2      LYS  22   7.258  -0.688   7.919
  188   2HB   LYS  22           HB3      LYS  22   6.042  -0.845   6.664
  189   1HG   LYS  22           HG2      LYS  22   6.355  -3.187   6.507
  190   2HG   LYS  22           HG3      LYS  22   7.836  -3.125   7.460
  191   1HD   LYS  22           HD2      LYS  22   6.350  -2.210   9.348
  192   2HD   LYS  22           HD3      LYS  22   4.996  -2.777   8.369
  193   1HE   LYS  22           HE2      LYS  22   5.483  -4.525   9.897
  194   2HE   LYS  22           HE3      LYS  22   6.109  -5.040   8.332
  195   1HZ   LYS  22           HZ3      LYS  22   7.861  -3.672  10.272
  196   2HZ   LYS  22           HZ2      LYS  22   7.566  -5.339  10.407
  197   3HZ   LYS  22           HZ1      LYS  22   8.288  -4.717   8.996
  198    H    PHE  23           HN       PHE  23   6.420  -1.418   4.102
  199    HA   PHE  23           HA       PHE  23   7.386  -4.053   3.467
  200   1HB   PHE  23           HB2      PHE  23   5.289  -2.391   2.054
  201   2HB   PHE  23           HB3      PHE  23   5.507  -4.144   1.943
  202    HD1  PHE  23           HD1      PHE  23   5.121  -5.563   3.940
  203    HD2  PHE  23           HD2      PHE  23   4.109  -1.432   3.913
  204    HE1  PHE  23           HE1      PHE  23   3.719  -5.898   5.928
  205    HE2  PHE  23           HE2      PHE  23   2.710  -1.762   5.907
  206    HZ   PHE  23           HZ       PHE  23   2.502  -3.997   6.911
  207    H    SER  24           HN       SER  24   8.674  -4.670   1.869
  208    HA   SER  24           HA       SER  24   9.751  -2.624   0.084
  209   1HB   SER  24           HB2      SER  24  11.733  -3.895  -0.031
  210   2HB   SER  24           HB3      SER  24  11.207  -4.040   1.639
  211    HG   SER  24           HG       SER  24  10.913  -6.097   1.397
  212    H    SER  25           HN       SER  25   7.808  -5.481  -0.042
  213    HA   SER  25           HA       SER  25   7.670  -5.191  -2.968
  214   1HB   SER  25           HB2      SER  25   7.429  -7.780  -3.022
  215   2HB   SER  25           HB3      SER  25   9.040  -7.079  -2.894
  216    HG   SER  25           HG       SER  25   8.350  -7.334  -0.439
  217    H    GLN  26           HN       GLN  26   5.740  -6.240  -3.900
  218    HA   GLN  26           HA       GLN  26   3.347  -5.372  -2.689
  219   1HB   GLN  26           HB2      GLN  26   3.579  -7.494  -4.825
  220   2HB   GLN  26           HB3      GLN  26   2.258  -6.414  -4.526
  221   1HG   GLN  26           HG2      GLN  26   3.105  -5.208  -6.195
  222   2HG   GLN  26           HG3      GLN  26   4.222  -4.619  -4.972
  223   1HE2  GLN  26          HE22      GLN  26   6.234  -5.586  -7.871
  224   2HE2  GLN  26          HE21      GLN  26   4.993  -4.432  -7.520
  225    H    GLY  27           HN       GLY  27   4.479  -8.706  -3.238
  226   1HA   GLY  27           HA1      GLY  27   2.585 -10.229  -2.084
  227   2HA   GLY  27           HA2      GLY  27   4.284 -10.622  -1.959
  228    H    GLU  28           HN       GLU  28   4.865  -8.300  -0.222
  229    HA   GLU  28           HA       GLU  28   4.272  -9.546   2.291
  230   1HB   GLU  28           HB2      GLU  28   5.562  -6.859   1.767
  231   2HB   GLU  28           HB3      GLU  28   5.620  -7.772   3.269
  232   1HG   GLU  28           HG2      GLU  28   6.983  -9.464   2.286
  233   2HG   GLU  28           HG3      GLU  28   6.758  -8.794   0.672
  234    H    ILE  29           HN       ILE  29   3.343  -6.418   0.796
  235    HA   ILE  29           HA       ILE  29   1.653  -5.649   2.971
  236    HB   ILE  29           HB       ILE  29   2.067  -3.709   2.004
  237   1HG1  ILE  29          HG12      ILE  29   0.002  -4.479  -0.059
  238   2HG1  ILE  29          HG13      ILE  29  -0.355  -3.847   1.548
  239   1HG2  ILE  29          HG22      ILE  29   3.696  -4.628   0.473
  240   2HG2  ILE  29          HG23      ILE  29   2.417  -5.017  -0.675
  241   3HG2  ILE  29          HG21      ILE  29   2.778  -3.341  -0.292
  242   1HD1  ILE  29          HD12      ILE  29   1.366  -1.962   0.560
  243   2HD1  ILE  29          HD13      ILE  29   0.468  -2.447  -0.883
  244   3HD1  ILE  29          HD11      ILE  29  -0.393  -1.856   0.540
  245    H    VAL  30           HN       VAL  30   1.236  -7.760   0.315
  246    HA   VAL  30           HA       VAL  30  -1.597  -7.774   0.082
  247    HB   VAL  30           HB       VAL  30   0.395 -10.028  -0.376
  248   1HG1  VAL  30          HG13      VAL  30  -2.518  -9.801  -1.053
  249   2HG1  VAL  30          HG11      VAL  30  -1.435 -10.917  -1.875
  250   3HG1  VAL  30          HG12      VAL  30  -1.702 -11.068  -0.142
  251   1HG2  VAL  30          HG22      VAL  30   0.324  -7.755  -1.797
  252   2HG2  VAL  30          HG23      VAL  30   0.716  -9.320  -2.498
  253   3HG2  VAL  30          HG21      VAL  30  -0.910  -8.672  -2.648
  254    H    ALA  31           HN       ALA  31   0.699  -9.442   2.216
  255    HA   ALA  31           HA       ALA  31  -1.323 -11.041   3.514
  256   1HB   ALA  31           HB3      ALA  31   1.591 -10.548   4.099
  257   2HB   ALA  31           HB1      ALA  31   0.564 -11.564   5.113
  258   3HB   ALA  31           HB2      ALA  31   0.838 -11.992   3.424
  259    H    ALA  32           HN       ALA  32   0.465  -8.068   4.252
  260    HA   ALA  32           HA       ALA  32  -0.264  -7.651   6.883
  261   1HB   ALA  32           HB1      ALA  32   1.384  -6.275   5.726
  262   2HB   ALA  32           HB2      ALA  32   0.102  -5.527   4.774
  263   3HB   ALA  32           HB3      ALA  32   0.163  -5.279   6.520
  264    H    LEU  33           HN       LEU  33  -2.028  -6.489   3.988
  265    HA   LEU  33           HA       LEU  33  -4.173  -5.384   5.505
  266   1HB   LEU  33           HB2      LEU  33  -4.115  -6.087   2.571
  267   2HB   LEU  33           HB3      LEU  33  -5.346  -5.114   3.371
  268    HG   LEU  33           HG       LEU  33  -2.422  -4.339   3.245
  269   1HD1  LEU  33          HD11      LEU  33  -4.616  -3.953   1.307
  270   2HD1  LEU  33          HD12      LEU  33  -3.643  -2.528   1.678
  271   3HD1  LEU  33          HD13      LEU  33  -2.872  -3.993   1.059
  272   1HD2  LEU  33          HD21      LEU  33  -4.912  -2.878   4.094
  273   2HD2  LEU  33          HD22      LEU  33  -3.537  -3.321   5.103
  274   3HD2  LEU  33          HD23      LEU  33  -3.346  -2.106   3.841
  275    H    GLN  34           HN       GLN  34  -3.505  -8.629   4.399
  276    HA   GLN  34           HA       GLN  34  -6.212  -9.573   4.505
  277   1HB   GLN  34           HB2      GLN  34  -3.533 -10.933   4.487
  278   2HB   GLN  34           HB3      GLN  34  -4.971 -11.862   4.874
  279   1HG   GLN  34           HG2      GLN  34  -5.924 -11.469   2.751
  280   2HG   GLN  34           HG3      GLN  34  -4.733 -10.228   2.365
  281   1HE2  GLN  34          HE22      GLN  34  -3.390 -12.897   0.458
  282   2HE2  GLN  34          HE21      GLN  34  -4.486 -11.562   0.411
  283    H    GLU  35           HN       GLU  35  -3.556  -9.386   6.837
  284    HA   GLU  35           HA       GLU  35  -4.978 -10.677   8.975
  285   1HB   GLU  35           HB2      GLU  35  -2.540  -8.878   9.065
  286   2HB   GLU  35           HB3      GLU  35  -3.145  -9.849  10.403
  287   1HG   GLU  35           HG2      GLU  35  -2.703 -11.887   9.146
  288   2HG   GLU  35           HG3      GLU  35  -2.107 -10.931   7.789
  289    H    GLN  36           HN       GLN  36  -4.712  -7.402   7.775
  290    HA   GLN  36           HA       GLN  36  -5.610  -5.988  10.060
  291   1HB   GLN  36           HB2      GLN  36  -5.674  -5.360   7.111
  292   2HB   GLN  36           HB3      GLN  36  -6.296  -4.247   8.309
  293   1HG   GLN  36           HG2      GLN  36  -3.674  -5.071   9.092
  294   2HG   GLN  36           HG3      GLN  36  -3.635  -4.556   7.409
  295   1HE2  GLN  36          HE22      GLN  36  -3.529  -1.810  10.201
  296   2HE2  GLN  36          HE21      GLN  36  -3.104  -3.474  10.372
  297    H    GLY  37           HN       GLY  37  -7.446  -6.786   7.094
  298   1HA   GLY  37           HA1      GLY  37  -9.669  -7.940   8.179
  299   2HA   GLY  37           HA2      GLY  37  -9.964  -6.222   8.385
  300    H    PHE  38           HN       PHE  38  -8.242  -7.633   5.642
  301    HA   PHE  38           HA       PHE  38 -10.559  -6.977   3.916
  302   1HB   PHE  38           HB2      PHE  38  -7.644  -6.538   3.228
  303   2HB   PHE  38           HB3      PHE  38  -9.037  -6.071   2.257
  304    HD1  PHE  38           HD1      PHE  38 -10.569  -4.291   3.130
  305    HD2  PHE  38           HD2      PHE  38  -6.849  -5.163   4.980
  306    HE1  PHE  38           HE1      PHE  38 -10.630  -2.130   4.286
  307    HE2  PHE  38           HE2      PHE  38  -6.893  -3.001   6.132
  308    HZ   PHE  38           HZ       PHE  38  -8.787  -1.481   5.784
  309    H    ASP  39           HN       ASP  39 -11.314  -8.743   2.954
  310    HA   ASP  39           HA       ASP  39  -9.577 -11.050   2.522
  311   1HB   ASP  39           HB2      ASP  39 -12.066 -10.987   3.515
  312   2HB   ASP  39           HB3      ASP  39 -12.450 -11.164   1.812
  313    H    ASN  40           HN       ASN  40 -10.666  -8.458   0.815
  314    HA   ASN  40           HA       ASN  40 -10.602  -9.774  -1.792
  315   1HB   ASN  40           HB2      ASN  40 -11.487  -7.001  -0.973
  316   2HB   ASN  40           HB3      ASN  40 -11.351  -7.508  -2.650
  317   1HD2  ASN  40          HD22      ASN  40 -14.698  -8.389  -2.520
  318   2HD2  ASN  40          HD21      ASN  40 -13.453  -7.421  -3.227
  319    H    ILE  41           HN       ILE  41  -8.178  -9.951  -0.842
  320    HA   ILE  41           HA       ILE  41  -6.654  -7.887  -2.271
  321    HB   ILE  41           HB       ILE  41  -6.479  -8.482   0.626
  322   1HG1  ILE  41          HG12      ILE  41  -7.164  -6.308  -0.634
  323   2HG1  ILE  41          HG13      ILE  41  -6.152  -6.184   0.801
  324   1HG2  ILE  41          HG23      ILE  41  -3.991  -8.091  -1.025
  325   2HG2  ILE  41          HG21      ILE  41  -4.080  -7.770   0.704
  326   3HG2  ILE  41          HG22      ILE  41  -4.355  -9.402   0.100
  327   1HD1  ILE  41          HD11      ILE  41  -4.802  -6.384  -1.832
  328   2HD1  ILE  41          HD12      ILE  41  -5.598  -4.867  -1.411
  329   3HD1  ILE  41          HD13      ILE  41  -4.326  -5.515  -0.372
  330    H    ASN  42           HN       ASN  42  -4.939  -8.577  -3.352
  331    HA   ASN  42           HA       ASN  42  -3.649 -11.110  -2.903
  332   1HB   ASN  42           HB2      ASN  42  -4.144 -12.002  -5.204
  333   2HB   ASN  42           HB3      ASN  42  -5.537 -11.984  -4.133
  334   1HD2  ASN  42          HD22      ASN  42  -7.451  -9.958  -6.214
  335   2HD2  ASN  42          HD21      ASN  42  -7.348 -10.953  -4.800
  336    H    GLN  43           HN       GLN  43  -2.076 -11.500  -4.891
  337    HA   GLN  43           HA       GLN  43  -0.159  -9.529  -4.918
  338   1HB   GLN  43           HB2      GLN  43  -0.150 -12.033  -5.755
  339   2HB   GLN  43           HB3      GLN  43  -0.411 -11.297  -7.326
  340   1HG   GLN  43           HG2      GLN  43   1.882 -11.522  -7.223
  341   2HG   GLN  43           HG3      GLN  43   1.623  -9.839  -6.786
  342   1HE2  GLN  43          HE22      GLN  43   2.544 -12.384  -3.704
  343   2HE2  GLN  43          HE21      GLN  43   1.419 -12.862  -4.927
  344    H    SER  44           HN       SER  44  -2.561 -10.089  -7.510
  345    HA   SER  44           HA       SER  44  -1.656  -8.012  -9.197
  346   1HB   SER  44           HB2      SER  44  -4.377  -8.324  -9.781
  347   2HB   SER  44           HB3      SER  44  -3.037  -9.130 -10.561
  348    HG   SER  44           HG       SER  44  -4.136 -10.832  -9.894
  349    H    LYS  45           HN       LYS  45  -4.424  -8.115  -6.987
  350    HA   LYS  45           HA       LYS  45  -5.315  -5.503  -7.304
  351   1HB   LYS  45           HB2      LYS  45  -6.274  -7.527  -5.925
  352   2HB   LYS  45           HB3      LYS  45  -5.412  -6.780  -4.588
  353   1HG   LYS  45           HG2      LYS  45  -6.864  -5.053  -4.438
  354   2HG   LYS  45           HG3      LYS  45  -7.132  -4.980  -6.181
  355   1HD   LYS  45           HD2      LYS  45  -8.738  -6.680  -6.136
  356   2HD   LYS  45           HD3      LYS  45  -8.186  -7.285  -4.575
  357   1HE   LYS  45           HE2      LYS  45 -10.251  -6.189  -4.174
  358   2HE   LYS  45           HE3      LYS  45  -8.993  -5.120  -3.565
  359   1HZ   LYS  45           HZ2      LYS  45  -9.368  -4.357  -6.177
  360   2HZ   LYS  45           HZ1      LYS  45 -10.937  -4.650  -5.591
  361   3HZ   LYS  45           HZ3      LYS  45  -9.923  -3.544  -4.792
  362    H    VAL  46           HN       VAL  46  -2.668  -6.675  -5.280
  363    HA   VAL  46           HA       VAL  46  -2.231  -4.185  -3.909
  364    HB   VAL  46           HB       VAL  46  -0.693  -6.750  -4.078
  365   1HG1  VAL  46          HG13      VAL  46   1.010  -4.992  -4.040
  366   2HG1  VAL  46          HG11      VAL  46   0.223  -4.249  -2.648
  367   3HG1  VAL  46          HG12      VAL  46   0.947  -5.849  -2.512
  368   1HG2  VAL  46          HG21      VAL  46  -2.446  -5.355  -2.141
  369   2HG2  VAL  46          HG22      VAL  46  -2.266  -7.073  -2.471
  370   3HG2  VAL  46          HG23      VAL  46  -1.082  -6.238  -1.469
  371    H    SER  47           HN       SER  47  -0.630  -5.803  -6.684
  372    HA   SER  47           HA       SER  47   1.262  -3.727  -7.113
  373   1HB   SER  47           HB2      SER  47   1.383  -4.800  -9.468
  374   2HB   SER  47           HB3      SER  47   1.861  -5.770  -8.078
  375    HG   SER  47           HG       SER  47   0.040  -6.946  -8.230
  376    H    ARG  48           HN       ARG  48  -2.055  -4.216  -8.166
  377    HA   ARG  48           HA       ARG  48  -2.116  -2.201 -10.177
  378   1HB   ARG  48           HB2      ARG  48  -4.264  -3.553  -8.550
  379   2HB   ARG  48           HB3      ARG  48  -4.643  -2.234  -9.648
  380   1HG   ARG  48           HG2      ARG  48  -3.268  -3.746 -11.343
  381   2HG   ARG  48           HG3      ARG  48  -3.806  -5.017 -10.248
  382   1HD   ARG  48           HD2      ARG  48  -5.446  -3.176 -11.955
  383   2HD   ARG  48           HD3      ARG  48  -5.456  -4.932 -11.902
  384    HE   ARG  48           HE       ARG  48  -6.756  -4.870  -9.919
  385   1HH1  ARG  48          HH12      ARG  48  -6.203  -1.693 -11.302
  386   2HH1  ARG  48          HH11      ARG  48  -7.516  -0.943 -10.439
  387   1HH2  ARG  48          HH22      ARG  48  -8.478  -3.880  -8.782
  388   2HH2  ARG  48          HH21      ARG  48  -8.798  -2.183  -9.005
  389    H    MET  49           HN       MET  49  -3.089  -2.171  -6.735
  390    HA   MET  49           HA       MET  49  -3.792   0.549  -6.600
  391   1HB   MET  49           HB2      MET  49  -2.991  -1.471  -4.556
  392   2HB   MET  49           HB3      MET  49  -3.234   0.209  -4.105
  393   1HG   MET  49           HG2      MET  49  -5.147  -1.790  -4.355
  394   2HG   MET  49           HG3      MET  49  -5.407  -0.095  -4.005
  395   1HE   MET  49           HE3      MET  49  -7.851  -0.201  -4.966
  396   2HE   MET  49           HE1      MET  49  -6.986   1.289  -5.348
  397   3HE   MET  49           HE2      MET  49  -7.977   0.510  -6.578
  398    H    LEU  50           HN       LEU  50  -0.676  -1.083  -6.171
  399    HA   LEU  50           HA       LEU  50   0.802   1.134  -5.234
  400   1HB   LEU  50           HB2      LEU  50   1.492  -1.467  -6.522
  401   2HB   LEU  50           HB3      LEU  50   2.730  -0.225  -6.489
  402    HG   LEU  50           HG       LEU  50   1.355  -0.892  -3.935
  403   1HD1  LEU  50          HD13      LEU  50   3.318  -2.660  -5.343
  404   2HD1  LEU  50          HD11      LEU  50   3.142  -2.656  -3.590
  405   3HD1  LEU  50          HD12      LEU  50   1.777  -3.096  -4.609
  406   1HD2  LEU  50          HD22      LEU  50   4.066   0.052  -4.751
  407   2HD2  LEU  50          HD23      LEU  50   2.883   0.834  -3.702
  408   3HD2  LEU  50          HD21      LEU  50   3.753  -0.591  -3.141
  409    H    THR  51           HN       THR  51   0.022   0.020  -8.497
  410    HA   THR  51           HA       THR  51   1.607   2.018  -9.833
  411    HB   THR  51           HB       THR  51  -0.662   0.413 -11.038
  412    HG1  THR  51           HG1      THR  51   0.881  -0.959  -9.932
  413   1HG2  THR  51          HG22      THR  51   1.858   1.530 -12.243
  414   2HG2  THR  51          HG21      THR  51   0.693   0.494 -13.071
  415   3HG2  THR  51          HG23      THR  51   0.209   2.098 -12.519
  416    H    LYS  52           HN       LYS  52  -1.866   1.565  -9.154
  417    HA   LYS  52           HA       LYS  52  -2.908   3.818 -10.435
  418   1HB   LYS  52           HB2      LYS  52  -4.265   1.964  -9.557
  419   2HB   LYS  52           HB3      LYS  52  -3.876   2.440  -7.911
  420   1HG   LYS  52           HG2      LYS  52  -4.988   4.724  -9.130
  421   2HG   LYS  52           HG3      LYS  52  -5.986   3.359  -9.629
  422   1HD   LYS  52           HD2      LYS  52  -6.118   2.677  -7.222
  423   2HD   LYS  52           HD3      LYS  52  -5.317   4.194  -6.810
  424   1HE   LYS  52           HE2      LYS  52  -7.909   4.010  -8.358
  425   2HE   LYS  52           HE3      LYS  52  -7.813   4.248  -6.614
  426   1HZ   LYS  52           HZ2      LYS  52  -6.202   6.196  -7.489
  427   2HZ   LYS  52           HZ1      LYS  52  -7.321   6.126  -8.767
  428   3HZ   LYS  52           HZ3      LYS  52  -7.867   6.403  -7.175
  429    H    PHE  53           HN       PHE  53  -1.880   3.471  -7.037
  430    HA   PHE  53           HA       PHE  53  -2.311   6.260  -6.437
  431   1HB   PHE  53           HB2      PHE  53  -1.027   4.012  -4.874
  432   2HB   PHE  53           HB3      PHE  53  -1.194   5.648  -4.249
  433    HD1  PHE  53           HD2      PHE  53  -3.811   6.522  -4.877
  434    HD2  PHE  53           HD1      PHE  53  -2.538   2.587  -3.839
  435    HE1  PHE  53           HE2      PHE  53  -6.072   6.006  -4.063
  436    HE2  PHE  53           HE1      PHE  53  -4.793   2.074  -3.022
  437    HZ   PHE  53           HZ       PHE  53  -6.566   3.779  -3.136
  438    H    GLY  54           HN       GLY  54   0.118   4.693  -8.116
  439   1HA   GLY  54           HA1      GLY  54   2.181   5.349  -8.874
  440   2HA   GLY  54           HA2      GLY  54   1.757   6.971  -8.358
  441    H    ALA  55           HN       ALA  55   2.569   3.867  -6.810
  442    HA   ALA  55           HA       ALA  55   3.850   5.169  -4.591
  443   1HB   ALA  55           HB1      ALA  55   2.651   3.063  -4.287
  444   2HB   ALA  55           HB2      ALA  55   3.803   2.247  -5.343
  445   3HB   ALA  55           HB3      ALA  55   4.340   2.914  -3.799
  446    H    VAL  56           HN       VAL  56   5.984   5.275  -4.098
  447    HA   VAL  56           HA       VAL  56   7.943   4.583  -6.203
  448    HB   VAL  56           HB       VAL  56   9.316   6.503  -5.365
  449   1HG1  VAL  56          HG13      VAL  56   7.304   6.486  -7.199
  450   2HG1  VAL  56          HG11      VAL  56   6.840   7.850  -6.181
  451   3HG1  VAL  56          HG12      VAL  56   8.427   7.822  -6.953
  452   1HG2  VAL  56          HG21      VAL  56   6.874   6.980  -3.676
  453   2HG2  VAL  56          HG22      VAL  56   8.574   7.007  -3.211
  454   3HG2  VAL  56          HG23      VAL  56   7.900   8.315  -4.180
  455    H    ARG  57           HN       ARG  57  10.224   4.353  -5.234
  456    HA   ARG  57           HA       ARG  57  10.024   2.906  -2.663
  457   1HB   ARG  57           HB2      ARG  57  12.239   2.316  -4.583
  458   2HB   ARG  57           HB3      ARG  57  11.486   1.280  -3.377
  459   1HG   ARG  57           HG2      ARG  57   9.404   1.465  -4.930
  460   2HG   ARG  57           HG3      ARG  57  10.599   1.899  -6.149
  461   1HD   ARG  57           HD2      ARG  57  10.348  -0.643  -4.566
  462   2HD   ARG  57           HD3      ARG  57  10.326  -0.438  -6.320
  463    HE   ARG  57           HE       ARG  57  12.786   0.469  -5.624
  464   1HH1  ARG  57          HH12      ARG  57  11.085  -2.536  -4.977
  465   2HH1  ARG  57          HH11      ARG  57  12.547  -3.477  -4.890
  466   1HH2  ARG  57          HH22      ARG  57  14.647  -0.732  -5.518
  467   2HH2  ARG  57          HH21      ARG  57  14.589  -2.448  -5.212
  468    H    THR  58           HN       THR  58  11.616   3.188  -1.098
  469    HA   THR  58           HA       THR  58  13.868   4.942  -1.624
  470    HB   THR  58           HB       THR  58  11.671   6.319  -1.032
  471    HG1  THR  58           HG1      THR  58  13.984   7.090   0.373
  472   1HG2  THR  58          HG22      THR  58  11.339   5.093   1.154
  473   2HG2  THR  58          HG21      THR  58  12.748   5.980   1.747
  474   3HG2  THR  58          HG23      THR  58  11.313   6.858   1.208
  475    H    ARG  59           HN       ARG  59  15.461   4.908   0.013
  476    HA   ARG  59           HA       ARG  59  15.495   2.476   1.534
  477   1HB   ARG  59           HB2      ARG  59  17.666   2.647   1.198
  478   2HB   ARG  59           HB3      ARG  59  17.430   4.203   0.430
  479   1HG   ARG  59           HG2      ARG  59  18.023   5.383   2.332
  480   2HG   ARG  59           HG3      ARG  59  17.687   4.032   3.410
  481   1HD   ARG  59           HD2      ARG  59  20.149   4.693   2.822
  482   2HD   ARG  59           HD3      ARG  59  19.662   3.019   3.040
  483    HE   ARG  59           HE       ARG  59  20.199   2.617   0.864
  484   1HH1  ARG  59          HH12      ARG  59  19.704   6.064   1.248
  485   2HH1  ARG  59          HH11      ARG  59  20.196   6.450  -0.381
  486   1HH2  ARG  59          HH22      ARG  59  20.841   3.108  -1.277
  487   2HH2  ARG  59          HH21      ARG  59  20.848   4.765  -1.823
  488    H    ASN  60           HN       ASN  60  15.404   2.169   3.687
  489    HA   ASN  60           HA       ASN  60  14.473   4.417   5.350
  490   1HB   ASN  60           HB2      ASN  60  13.628   2.710   6.899
  491   2HB   ASN  60           HB3      ASN  60  13.000   2.444   5.282
  492   1HD2  ASN  60          HD22      ASN  60  13.851  -0.871   6.440
  493   2HD2  ASN  60          HD21      ASN  60  12.661   0.361   6.704
  494    H    ALA  61           HN       ALA  61  15.133   3.690   7.856
  495    HA   ALA  61           HA       ALA  61  17.895   4.299   8.058
  496   1HB   ALA  61           HB2      ALA  61  16.264   5.006   9.726
  497   2HB   ALA  61           HB3      ALA  61  16.008   3.326  10.203
  498   3HB   ALA  61           HB1      ALA  61  17.574   4.091  10.469
  499    H    LYS  62           HN       LYS  62  16.713   1.431   7.078
  500    HA   LYS  62           HA       LYS  62  18.878  -0.129   8.354
  501   1HB   LYS  62           HB2      LYS  62  16.153  -1.117   7.495
  502   2HB   LYS  62           HB3      LYS  62  17.467  -2.118   8.084
  503   1HG   LYS  62           HG2      LYS  62  16.295  -1.895  10.017
  504   2HG   LYS  62           HG3      LYS  62  17.322  -0.470  10.154
  505   1HD   LYS  62           HD2      LYS  62  15.500   0.795  10.311
  506   2HD   LYS  62           HD3      LYS  62  15.071   0.341   8.663
  507   1HE   LYS  62           HE2      LYS  62  14.210  -0.984  11.228
  508   2HE   LYS  62           HE3      LYS  62  13.196  -0.136  10.063
  509   1HZ   LYS  62           HZ1      LYS  62  13.993  -1.966   8.444
  510   2HZ   LYS  62           HZ3      LYS  62  14.414  -2.818   9.851
  511   3HZ   LYS  62           HZ2      LYS  62  12.799  -2.343   9.596
  512    H    MET  63           HN       MET  63  18.538   1.383   5.656
  513    HA   MET  63           HA       MET  63  19.453   1.143   3.587
  514   1HB   MET  63           HB2      MET  63  20.300  -1.684   4.090
  515   2HB   MET  63           HB3      MET  63  21.127  -0.409   3.222
  516   1HG   MET  63           HG2      MET  63  21.285   0.693   5.592
  517   2HG   MET  63           HG3      MET  63  21.066  -0.974   6.124
  518   1HE   MET  63           HE2      MET  63  22.991  -2.182   6.847
  519   2HE   MET  63           HE3      MET  63  22.805  -3.004   5.296
  520   3HE   MET  63           HE1      MET  63  24.404  -2.509   5.842
  521    H    GLU  64           HN       GLU  64  16.820  -0.508   4.575
  522    HA   GLU  64           HA       GLU  64  16.424  -2.257   2.308
  523   1HB   GLU  64           HB2      GLU  64  14.318  -1.358   4.284
  524   2HB   GLU  64           HB3      GLU  64  14.310  -2.800   3.285
  525   1HG   GLU  64           HG2      GLU  64  16.109  -3.760   4.591
  526   2HG   GLU  64           HG3      GLU  64  16.236  -2.286   5.545
  527    H    MET  65           HN       MET  65  15.876  -1.512   0.357
  528    HA   MET  65           HA       MET  65  14.737   1.119  -0.049
  529   1HB   MET  65           HB2      MET  65  15.477  -1.135  -1.926
  530   2HB   MET  65           HB3      MET  65  14.690   0.335  -2.483
  531   1HG   MET  65           HG2      MET  65  17.268   0.386  -0.945
  532   2HG   MET  65           HG3      MET  65  17.214   0.225  -2.699
  533   1HE   MET  65           HE2      MET  65  16.089   1.749  -4.231
  534   2HE   MET  65           HE3      MET  65  14.690   2.504  -3.460
  535   3HE   MET  65           HE1      MET  65  16.024   3.505  -4.031
  536    H    VAL  66           HN       VAL  66  12.785   0.889   1.138
  537    HA   VAL  66           HA       VAL  66  10.879  -1.111   0.245
  538    HB   VAL  66           HB       VAL  66   9.520  -0.455   2.194
  539   1HG1  VAL  66          HG12      VAL  66  11.495  -2.099   2.265
  540   2HG1  VAL  66          HG13      VAL  66  12.352  -0.821   3.129
  541   3HG1  VAL  66          HG11      VAL  66  10.867  -1.491   3.801
  542   1HG2  VAL  66          HG23      VAL  66  11.495   1.763   2.327
  543   2HG2  VAL  66          HG21      VAL  66   9.779   1.743   2.729
  544   3HG2  VAL  66          HG22      VAL  66  10.957   1.067   3.854
  545    H    TYR  67           HN       TYR  67   8.580  -0.503   0.160
  546    HA   TYR  67           HA       TYR  67   8.128   1.499  -1.839
  547   1HB   TYR  67           HB2      TYR  67   6.447  -0.574  -0.469
  548   2HB   TYR  67           HB3      TYR  67   5.634   0.764  -1.263
  549    HD1  TYR  67           HD2      TYR  67   7.349   1.120  -3.680
  550    HD2  TYR  67           HD1      TYR  67   5.856  -2.398  -1.807
  551    HE1  TYR  67           HE2      TYR  67   7.442  -0.050  -5.832
  552    HE2  TYR  67           HE1      TYR  67   5.922  -3.585  -3.959
  553    HH   TYR  67           HH       TYR  67   5.881  -2.528  -6.677
  554    H    CYS  68           HN       CYS  68   7.069   3.406  -1.654
  555    HA   CYS  68           HA       CYS  68   5.753   4.194   0.791
  556   1HB   CYS  68           HB2      CYS  68   7.142   6.282   1.022
  557   2HB   CYS  68           HB3      CYS  68   7.981   4.795   1.432
  558    HG   CYS  68           HG       CYS  68   8.963   5.082  -1.160
  559    H    LEU  69           HN       LEU  69   4.782   6.367   0.580
  560    HA   LEU  69           HA       LEU  69   3.931   6.808  -2.203
  561   1HB   LEU  69           HB2      LEU  69   2.428   6.527   0.111
  562   2HB   LEU  69           HB3      LEU  69   2.455   8.262  -0.128
  563    HG   LEU  69           HG       LEU  69   1.402   8.064  -2.275
  564   1HD1  LEU  69          HD13      LEU  69   2.288   5.268  -2.082
  565   2HD1  LEU  69          HD11      LEU  69   0.666   5.487  -2.728
  566   3HD1  LEU  69          HD12      LEU  69   2.030   6.287  -3.498
  567   1HD2  LEU  69          HD23      LEU  69   0.027   7.832  -0.154
  568   2HD2  LEU  69          HD21      LEU  69  -0.721   7.291  -1.655
  569   3HD2  LEU  69          HD22      LEU  69  -0.058   6.111  -0.525
  570    HA   PRO  70           HA       PRO  70   6.161  10.698  -2.484
  571   1HB   PRO  70           HB2      PRO  70   3.759  11.653  -3.918
  572   2HB   PRO  70           HB3      PRO  70   5.441  11.657  -4.427
  573   1HG   PRO  70           HG2      PRO  70   3.750   9.928  -5.469
  574   2HG   PRO  70           HG3      PRO  70   5.376   9.388  -5.000
  575   1HD   PRO  70           HD2      PRO  70   2.775   9.059  -3.530
  576   2HD   PRO  70           HD3      PRO  70   4.046   7.862  -3.840
  577    H    ALA  71           HN       ALA  71   4.323  13.050  -2.887
  578    HA   ALA  71           HA       ALA  71   4.379  14.100  -0.246
  579   1HB   ALA  71           HB2      ALA  71   4.509  15.379  -2.443
  580   2HB   ALA  71           HB3      ALA  71   2.751  15.248  -2.498
  581   3HB   ALA  71           HB1      ALA  71   3.534  16.086  -1.158
  582    H    GLU  72           HN       GLU  72   1.877  15.484  -0.145
  583    HA   GLU  72           HA       GLU  72   0.298  13.532   1.222
  584   1HB   GLU  72           HB2      GLU  72  -0.308  16.418   0.527
  585   2HB   GLU  72           HB3      GLU  72  -1.296  15.420   1.585
  586   1HG   GLU  72           HG2      GLU  72   1.570  15.581   2.289
  587   2HG   GLU  72           HG3      GLU  72   0.660  17.078   2.436
  588    H    LEU  73           HN       LEU  73   0.001  12.068  -0.606
  589    HA   LEU  73           HA       LEU  73  -1.912  12.915  -2.645
  590   1HB   LEU  73           HB2      LEU  73   0.257  11.629  -3.115
  591   2HB   LEU  73           HB3      LEU  73  -0.562  10.227  -2.454
  592    HG   LEU  73           HG       LEU  73  -2.310  10.467  -4.214
  593   1HD1  LEU  73          HD13      LEU  73  -0.627  12.824  -4.936
  594   2HD1  LEU  73          HD11      LEU  73  -1.455  11.927  -6.210
  595   3HD1  LEU  73          HD12      LEU  73  -2.383  12.661  -4.903
  596   1HD2  LEU  73          HD23      LEU  73   0.542  10.218  -5.158
  597   2HD2  LEU  73          HD21      LEU  73  -0.506   8.922  -4.584
  598   3HD2  LEU  73          HD22      LEU  73  -0.873   9.746  -6.097
  599    H    GLY  74           HN       GLY  74  -3.563  13.044  -0.837
  600   1HA   GLY  74           HA1      GLY  74  -4.674  10.570   0.185
  601   2HA   GLY  74           HA2      GLY  74  -5.405  12.170   0.287
  602    H    VAL  75           HN       VAL  75  -5.829  13.048  -2.079
  603    HA   VAL  75           HA       VAL  75  -7.490  11.068  -3.481
  604    HB   VAL  75           HB       VAL  75  -8.330  13.156  -4.725
  605   1HG1  VAL  75          HG22      VAL  75  -9.497  11.860  -2.874
  606   2HG1  VAL  75          HG23      VAL  75  -8.970  13.148  -1.789
  607   3HG1  VAL  75          HG21      VAL  75 -10.036  13.517  -3.147
  608   1HG2  VAL  75          HG13      VAL  75  -6.438  14.614  -3.905
  609   2HG2  VAL  75          HG11      VAL  75  -8.056  15.291  -3.720
  610   3HG2  VAL  75          HG12      VAL  75  -7.224  14.608  -2.326
  611    HA   PRO  76           HA       PRO  76  -4.535  10.801  -6.768
  612   1HB   PRO  76           HB2      PRO  76  -6.153  10.274  -8.904
  613   2HB   PRO  76           HB3      PRO  76  -5.788   9.099  -7.639
  614   1HG   PRO  76           HG2      PRO  76  -8.208  10.825  -7.971
  615   2HG   PRO  76           HG3      PRO  76  -8.107   9.115  -7.515
  616   1HD   PRO  76           HD2      PRO  76  -8.486  11.094  -5.703
  617   2HD   PRO  76           HD3      PRO  76  -7.601   9.604  -5.317
  618    H    THR  77           HN       THR  77  -3.491  12.628  -7.323
  619    HA   THR  77           HA       THR  77  -4.348  14.168  -9.544
  620    HB   THR  77           HB       THR  77  -5.744  15.172  -7.645
  621    HG1  THR  77           HG1      THR  77  -5.472  16.439  -9.393
  622   1HG2  THR  77          HG22      THR  77  -3.797  15.094  -5.950
  623   2HG2  THR  77          HG21      THR  77  -3.282  16.599  -6.715
  624   3HG2  THR  77          HG23      THR  77  -4.874  16.490  -5.964
  625    H    THR  78           HN       THR  78  -2.632  15.287 -10.446
  626    HA   THR  78           HA       THR  78  -0.005  14.667  -9.371
  627    HB   THR  78           HB       THR  78   0.794  15.672 -11.539
  628    HG1  THR  78           HG1      THR  78  -1.426  16.856 -11.623
  629   1HG2  THR  78          HG22      THR  78  -0.060  13.204 -11.189
  630   2HG2  THR  78          HG21      THR  78  -1.289  13.722 -12.338
  631   3HG2  THR  78          HG23      THR  78   0.418  13.811 -12.771
   
  No H/Q in entry =         631
  Start of MODEL   17
    1   1H    MET   1           HT1      MET   1 -16.507   3.709   3.576
    2   2H    MET   1           HT3      MET   1 -16.385   5.182   2.692
    3   3H    MET   1           HT2      MET   1 -15.961   5.137   4.359
    4    HA   MET   1           HA       MET   1 -17.961   5.894   4.705
    5   1HB   MET   1           HB2      MET   1 -18.404   4.952   1.886
    6   2HB   MET   1           HB3      MET   1 -19.794   5.377   2.871
    7   1HG   MET   1           HG2      MET   1 -17.670   7.386   2.925
    8   2HG   MET   1           HG3      MET   1 -18.350   7.104   1.324
    9   1HE   MET   1           HE2      MET   1 -18.874   9.727   1.534
   10   2HE   MET   1           HE3      MET   1 -20.097  10.407   2.604
   11   3HE   MET   1           HE1      MET   1 -18.540   9.897   3.255
   12    H    ARG   2           HN       ARG   2 -18.846   4.867   6.356
   13    HA   ARG   2           HA       ARG   2 -19.994   3.413   7.639
   14   1HB   ARG   2           HB2      ARG   2 -21.006   2.175   5.074
   15   2HB   ARG   2           HB3      ARG   2 -21.730   2.048   6.670
   16   1HG   ARG   2           HG2      ARG   2 -21.578   4.473   4.899
   17   2HG   ARG   2           HG3      ARG   2 -23.016   3.617   5.448
   18   1HD   ARG   2           HD2      ARG   2 -21.159   5.353   7.068
   19   2HD   ARG   2           HD3      ARG   2 -22.868   5.617   6.725
   20    HE   ARG   2           HE       ARG   2 -22.691   3.197   8.076
   21   1HH1  ARG   2          HH12      ARG   2 -22.014   6.572   8.710
   22   2HH1  ARG   2          HH11      ARG   2 -22.323   6.445  10.419
   23   1HH2  ARG   2          HH22      ARG   2 -23.096   3.013  10.306
   24   2HH2  ARG   2          HH21      ARG   2 -22.930   4.414  11.332
   25    H    SER   3           HN       SER   3 -17.573   2.748   7.775
   26    HA   SER   3           HA       SER   3 -16.016   1.152   8.132
   27   1HB   SER   3           HB2      SER   3 -18.482  -0.535   8.659
   28   2HB   SER   3           HB3      SER   3 -16.846  -0.891   9.224
   29    HG   SER   3           HG       SER   3 -16.884   1.034  10.418
   30    H    SER   4           HN       SER   4 -17.040  -1.833   7.585
   31    HA   SER   4           HA       SER   4 -15.590  -2.019   5.099
   32   1HB   SER   4           HB2      SER   4 -16.894  -4.218   6.727
   33   2HB   SER   4           HB3      SER   4 -15.732  -4.425   5.421
   34    HG   SER   4           HG       SER   4 -14.493  -2.827   6.977
   35    H    ALA   5           HN       ALA   5 -18.261  -0.767   4.985
   36    HA   ALA   5           HA       ALA   5 -19.943  -2.593   3.468
   37   1HB   ALA   5           HB3      ALA   5 -20.169   0.363   4.027
   38   2HB   ALA   5           HB1      ALA   5 -21.302  -0.530   3.017
   39   3HB   ALA   5           HB2      ALA   5 -21.125  -0.946   4.720
   40    H    LYS   6           HN       LYS   6 -18.231   0.449   2.800
   41    HA   LYS   6           HA       LYS   6 -18.017  -0.236  -0.052
   42   1HB   LYS   6           HB2      LYS   6 -17.315   2.347   1.373
   43   2HB   LYS   6           HB3      LYS   6 -17.291   2.081  -0.368
   44   1HG   LYS   6           HG2      LYS   6 -19.852   1.354   0.291
   45   2HG   LYS   6           HG3      LYS   6 -19.536   2.673   1.417
   46   1HD   LYS   6           HD2      LYS   6 -19.140   4.204  -0.317
   47   2HD   LYS   6           HD3      LYS   6 -18.958   2.926  -1.521
   48   1HE   LYS   6           HE2      LYS   6 -21.547   3.400  -0.050
   49   2HE   LYS   6           HE3      LYS   6 -21.144   4.246  -1.544
   50   1HZ   LYS   6           HZ2      LYS   6 -20.811   1.999  -2.563
   51   2HZ   LYS   6           HZ1      LYS   6 -21.511   1.324  -1.161
   52   3HZ   LYS   6           HZ3      LYS   6 -22.413   2.379  -2.145
   53    H    GLN   7           HN       GLN   7 -15.930  -0.200  -1.080
   54    HA   GLN   7           HA       GLN   7 -13.885  -1.326   0.613
   55   1HB   GLN   7           HB2      GLN   7 -14.624  -1.672  -2.031
   56   2HB   GLN   7           HB3      GLN   7 -13.091  -0.825  -2.158
   57   1HG   GLN   7           HG2      GLN   7 -12.415  -3.024  -2.113
   58   2HG   GLN   7           HG3      GLN   7 -12.266  -2.542  -0.422
   59   1HE2  GLN   7          HE22      GLN   7 -13.888  -5.609   0.161
   60   2HE2  GLN   7          HE21      GLN   7 -12.351  -4.830   0.039
   61    H    GLU   8           HN       GLU   8 -14.442   1.529   1.000
   62    HA   GLU   8           HA       GLU   8 -12.096   2.958   0.082
   63   1HB   GLU   8           HB2      GLU   8 -14.060   3.833   2.210
   64   2HB   GLU   8           HB3      GLU   8 -12.996   4.844   1.241
   65   1HG   GLU   8           HG2      GLU   8 -14.321   3.908  -0.768
   66   2HG   GLU   8           HG3      GLU   8 -15.514   3.438   0.437
   67    H    GLU   9           HN       GLU   9 -12.571   0.679   2.475
   68    HA   GLU   9           HA       GLU   9 -10.890   1.896   4.526
   69   1HB   GLU   9           HB2      GLU   9 -12.298  -0.765   4.299
   70   2HB   GLU   9           HB3      GLU   9 -11.121  -0.448   5.572
   71   1HG   GLU   9           HG2      GLU   9 -12.553   1.642   6.060
   72   2HG   GLU   9           HG3      GLU   9 -13.795   0.816   5.120
   73    H    LEU  10           HN       LEU  10 -10.731  -0.685   2.126
   74    HA   LEU  10           HA       LEU  10  -8.087  -1.553   2.704
   75   1HB   LEU  10           HB2      LEU  10  -9.431  -3.023   1.461
   76   2HB   LEU  10           HB3      LEU  10  -9.896  -1.787   0.309
   77    HG   LEU  10           HG       LEU  10  -7.490  -1.819  -0.519
   78   1HD1  LEU  10          HD11      LEU  10  -7.399  -4.050   1.463
   79   2HD1  LEU  10          HD12      LEU  10  -6.419  -4.126   0.001
   80   3HD1  LEU  10          HD13      LEU  10  -6.211  -2.791   1.134
   81   1HD2  LEU  10          HD23      LEU  10  -9.231  -4.259  -0.754
   82   2HD2  LEU  10          HD21      LEU  10  -9.174  -2.864  -1.831
   83   3HD2  LEU  10          HD22      LEU  10  -7.805  -3.972  -1.749
   84    H    VAL  11           HN       VAL  11  -9.445   1.037   0.781
   85    HA   VAL  11           HA       VAL  11  -7.011   1.721  -0.585
   86    HB   VAL  11           HB       VAL  11  -9.662   3.111  -0.263
   87   1HG1  VAL  11          HG11      VAL  11  -7.112   4.310  -1.165
   88   2HG1  VAL  11          HG12      VAL  11  -8.515   4.590  -2.194
   89   3HG1  VAL  11          HG13      VAL  11  -8.558   5.074  -0.501
   90   1HG2  VAL  11          HG21      VAL  11  -9.571   1.236  -1.793
   91   2HG2  VAL  11          HG22      VAL  11  -9.792   2.746  -2.675
   92   3HG2  VAL  11          HG23      VAL  11  -8.211   1.970  -2.640
   93    H    LYS  12           HN       LYS  12  -8.681   3.178   2.287
   94    HA   LYS  12           HA       LYS  12  -6.690   5.140   2.838
   95   1HB   LYS  12           HB2      LYS  12  -8.889   3.873   4.420
   96   2HB   LYS  12           HB3      LYS  12  -7.595   4.628   5.340
   97   1HG   LYS  12           HG2      LYS  12  -9.252   6.259   5.108
   98   2HG   LYS  12           HG3      LYS  12  -7.986   6.701   3.956
   99   1HD   LYS  12           HD2      LYS  12  -9.474   5.143   2.392
  100   2HD   LYS  12           HD3      LYS  12 -10.742   5.692   3.482
  101   1HE   LYS  12           HE2      LYS  12  -8.861   7.653   2.210
  102   2HE   LYS  12           HE3      LYS  12 -10.249   7.035   1.316
  103   1HZ   LYS  12           HZ3      LYS  12 -10.736   8.055   4.018
  104   2HZ   LYS  12           HZ2      LYS  12 -10.386   9.193   2.798
  105   3HZ   LYS  12           HZ1      LYS  12 -11.712   8.136   2.621
  106    H    ALA  13           HN       ALA  13  -7.177   1.875   4.057
  107    HA   ALA  13           HA       ALA  13  -4.952   1.675   5.758
  108   1HB   ALA  13           HB3      ALA  13  -6.336  -0.497   4.179
  109   2HB   ALA  13           HB1      ALA  13  -5.191  -0.774   5.490
  110   3HB   ALA  13           HB2      ALA  13  -6.725   0.034   5.817
  111    H    PHE  14           HN       PHE  14  -5.234   1.076   2.277
  112    HA   PHE  14           HA       PHE  14  -2.745  -0.071   1.766
  113   1HB   PHE  14           HB2      PHE  14  -4.712   0.200   0.162
  114   2HB   PHE  14           HB3      PHE  14  -4.150   1.829  -0.136
  115    HD1  PHE  14           HD1      PHE  14  -3.391  -1.752  -0.494
  116    HD2  PHE  14           HD2      PHE  14  -2.244   2.232  -1.499
  117    HE1  PHE  14           HE1      PHE  14  -1.866  -2.622  -2.209
  118    HE2  PHE  14           HE2      PHE  14  -0.705   1.351  -3.216
  119    HZ   PHE  14           HZ       PHE  14  -0.528  -1.072  -3.557
  120    H    LYS  15           HN       LYS  15  -3.642   3.399   1.571
  121    HA   LYS  15           HA       LYS  15  -1.103   4.376   0.947
  122   1HB   LYS  15           HB2      LYS  15  -3.399   5.678   2.387
  123   2HB   LYS  15           HB3      LYS  15  -1.901   6.535   2.043
  124   1HG   LYS  15           HG2      LYS  15  -2.683   7.048   0.029
  125   2HG   LYS  15           HG3      LYS  15  -2.665   5.334  -0.377
  126   1HD   LYS  15           HD2      LYS  15  -4.864   5.597  -0.682
  127   2HD   LYS  15           HD3      LYS  15  -4.926   5.448   1.066
  128   1HE   LYS  15           HE2      LYS  15  -5.582   7.723  -0.629
  129   2HE   LYS  15           HE3      LYS  15  -6.073   7.392   1.032
  130   1HZ   LYS  15           HZ2      LYS  15  -3.535   8.091   1.423
  131   2HZ   LYS  15           HZ1      LYS  15  -3.873   9.016   0.037
  132   3HZ   LYS  15           HZ3      LYS  15  -4.828   9.193   1.439
  133    H    ALA  16           HN       ALA  16  -2.623   3.870   4.099
  134    HA   ALA  16           HA       ALA  16  -0.687   5.007   5.748
  135   1HB   ALA  16           HB2      ALA  16  -3.072   4.105   6.289
  136   2HB   ALA  16           HB3      ALA  16  -2.217   2.609   6.671
  137   3HB   ALA  16           HB1      ALA  16  -1.821   4.098   7.532
  138    H    LEU  17           HN       LEU  17  -0.983   1.593   4.714
  139    HA   LEU  17           HA       LEU  17   1.196   0.560   6.153
  140   1HB   LEU  17           HB2      LEU  17  -0.005  -0.312   3.518
  141   2HB   LEU  17           HB3      LEU  17   1.211  -1.240   4.373
  142    HG   LEU  17           HG       LEU  17  -1.602  -0.649   5.255
  143   1HD1  LEU  17          HD11      LEU  17  -0.158  -3.221   4.651
  144   2HD1  LEU  17          HD12      LEU  17  -1.808  -3.092   5.253
  145   3HD1  LEU  17          HD13      LEU  17  -1.401  -2.459   3.659
  146   1HD2  LEU  17          HD22      LEU  17   0.740  -1.529   6.835
  147   2HD2  LEU  17          HD23      LEU  17  -0.648  -0.557   7.311
  148   3HD2  LEU  17          HD21      LEU  17  -0.807  -2.304   7.153
  149    H    LEU  18           HN       LEU  18   1.073   1.947   2.886
  150    HA   LEU  18           HA       LEU  18   3.827   1.480   2.286
  151   1HB   LEU  18           HB2      LEU  18   2.029   3.640   1.189
  152   2HB   LEU  18           HB3      LEU  18   3.540   3.098   0.485
  153    HG   LEU  18           HG       LEU  18   1.179   1.262   0.814
  154   1HD1  LEU  18          HD13      LEU  18   0.744   3.383  -0.552
  155   2HD1  LEU  18          HD11      LEU  18   1.859   2.680  -1.725
  156   3HD1  LEU  18          HD12      LEU  18   0.386   1.823  -1.285
  157   1HD2  LEU  18          HD23      LEU  18   3.436   0.260   0.446
  158   2HD2  LEU  18          HD21      LEU  18   2.272  -0.077  -0.841
  159   3HD2  LEU  18          HD22      LEU  18   3.513   1.152  -1.081
  160    H    LYS  19           HN       LYS  19   2.129   4.396   3.433
  161    HA   LYS  19           HA       LYS  19   4.422   6.020   3.588
  162   1HB   LYS  19           HB2      LYS  19   1.709   6.232   4.888
  163   2HB   LYS  19           HB3      LYS  19   2.937   7.486   5.019
  164   1HG   LYS  19           HG2      LYS  19   2.964   7.657   2.547
  165   2HG   LYS  19           HG3      LYS  19   1.644   6.491   2.477
  166   1HD   LYS  19           HD2      LYS  19   0.564   8.566   2.340
  167   2HD   LYS  19           HD3      LYS  19   0.395   8.124   4.038
  168   1HE   LYS  19           HE2      LYS  19   1.012  10.470   3.810
  169   2HE   LYS  19           HE3      LYS  19   2.300   9.565   4.598
  170   1HZ   LYS  19           HZ3      LYS  19   2.250  10.285   1.713
  171   2HZ   LYS  19           HZ2      LYS  19   3.109  11.136   2.911
  172   3HZ   LYS  19           HZ1      LYS  19   3.534   9.529   2.545
  173    H    GLU  20           HN       GLU  20   4.111   3.340   5.340
  174    HA   GLU  20           HA       GLU  20   5.068   4.435   7.904
  175   1HB   GLU  20           HB2      GLU  20   4.150   1.673   7.092
  176   2HB   GLU  20           HB3      GLU  20   4.973   1.976   8.612
  177   1HG   GLU  20           HG2      GLU  20   2.795   3.829   8.305
  178   2HG   GLU  20           HG3      GLU  20   2.222   2.185   8.039
  179    H    GLU  21           HN       GLU  21   6.190   3.138   4.962
  180    HA   GLU  21           HA       GLU  21   8.216   2.535   4.145
  181   1HB   GLU  21           HB2      GLU  21   9.392   3.819   6.620
  182   2HB   GLU  21           HB3      GLU  21  10.167   3.594   5.060
  183   1HG   GLU  21           HG2      GLU  21   8.483   5.142   4.062
  184   2HG   GLU  21           HG3      GLU  21   7.877   5.449   5.690
  185    H    LYS  22           HN       LYS  22   7.379   0.328   4.722
  186    HA   LYS  22           HA       LYS  22   9.323  -1.075   6.434
  187   1HB   LYS  22           HB2      LYS  22   7.417  -0.826   7.859
  188   2HB   LYS  22           HB3      LYS  22   6.303  -1.262   6.573
  189   1HG   LYS  22           HG2      LYS  22   6.832  -3.526   6.715
  190   2HG   LYS  22           HG3      LYS  22   8.335  -3.214   7.586
  191   1HD   LYS  22           HD2      LYS  22   7.150  -2.615   9.572
  192   2HD   LYS  22           HD3      LYS  22   5.609  -2.607   8.710
  193   1HE   LYS  22           HE2      LYS  22   6.095  -4.635  10.160
  194   2HE   LYS  22           HE3      LYS  22   5.581  -4.945   8.506
  195   1HZ   LYS  22           HZ1      LYS  22   8.042  -5.122   7.966
  196   2HZ   LYS  22           HZ3      LYS  22   8.308  -5.187   9.650
  197   3HZ   LYS  22           HZ2      LYS  22   7.370  -6.386   8.884
  198    H    PHE  23           HN       PHE  23   6.621  -1.550   4.169
  199    HA   PHE  23           HA       PHE  23   7.583  -4.133   3.317
  200   1HB   PHE  23           HB2      PHE  23   5.346  -2.460   2.140
  201   2HB   PHE  23           HB3      PHE  23   5.569  -4.209   1.987
  202    HD1  PHE  23           HD2      PHE  23   5.824  -5.449   4.351
  203    HD2  PHE  23           HD1      PHE  23   3.799  -1.749   3.734
  204    HE1  PHE  23           HE2      PHE  23   4.561  -5.798   6.430
  205    HE2  PHE  23           HE1      PHE  23   2.539  -2.100   5.815
  206    HZ   PHE  23           HZ       PHE  23   2.909  -4.126   7.162
  207    H    SER  24           HN       SER  24   8.657  -4.644   1.486
  208    HA   SER  24           HA       SER  24   9.402  -2.438  -0.321
  209   1HB   SER  24           HB2      SER  24  11.388  -3.933  -0.864
  210   2HB   SER  24           HB3      SER  24  11.347  -3.258   0.759
  211    HG   SER  24           HG       SER  24  10.603  -5.232   1.542
  212    H    SER  25           HN       SER  25   7.608  -5.335  -0.240
  213    HA   SER  25           HA       SER  25   7.530  -5.351  -3.189
  214   1HB   SER  25           HB2      SER  25   7.267  -7.834  -3.088
  215   2HB   SER  25           HB3      SER  25   8.838  -7.265  -2.531
  216    HG   SER  25           HG       SER  25   7.984  -7.433  -0.358
  217    H    GLN  26           HN       GLN  26   5.613  -5.993  -4.180
  218    HA   GLN  26           HA       GLN  26   3.191  -5.107  -2.995
  219   1HB   GLN  26           HB2      GLN  26   3.150  -6.950  -5.334
  220   2HB   GLN  26           HB3      GLN  26   2.195  -5.537  -5.034
  221   1HG   GLN  26           HG2      GLN  26   3.482  -4.625  -6.608
  222   2HG   GLN  26           HG3      GLN  26   4.647  -4.431  -5.302
  223   1HE2  GLN  26          HE22      GLN  26   6.293  -5.972  -8.249
  224   2HE2  GLN  26          HE21      GLN  26   5.363  -4.538  -7.984
  225    H    GLY  27           HN       GLY  27   4.843  -8.110  -2.730
  226   1HA   GLY  27           HA1      GLY  27   2.493  -9.725  -2.165
  227   2HA   GLY  27           HA2      GLY  27   4.168 -10.218  -2.000
  228    H    GLU  28           HN       GLU  28   5.135  -8.247  -0.272
  229    HA   GLU  28           HA       GLU  28   4.373  -9.219   2.245
  230   1HB   GLU  28           HB2      GLU  28   5.853  -6.699   1.474
  231   2HB   GLU  28           HB3      GLU  28   5.651  -7.232   3.137
  232   1HG   GLU  28           HG2      GLU  28   6.968  -9.140   2.818
  233   2HG   GLU  28           HG3      GLU  28   6.886  -9.012   1.064
  234    H    ILE  29           HN       ILE  29   3.368  -6.255   0.523
  235    HA   ILE  29           HA       ILE  29   1.772  -5.287   2.691
  236    HB   ILE  29           HB       ILE  29   2.210  -3.533   1.388
  237   1HG1  ILE  29          HG12      ILE  29  -0.269  -4.319  -0.128
  238   2HG1  ILE  29          HG13      ILE  29  -0.289  -3.682   1.519
  239   1HG2  ILE  29          HG21      ILE  29   2.268  -5.427  -0.873
  240   2HG2  ILE  29          HG22      ILE  29   1.997  -3.726  -1.233
  241   3HG2  ILE  29          HG23      ILE  29   3.448  -4.220  -0.365
  242   1HD1  ILE  29          HD11      ILE  29   1.112  -1.744   0.454
  243   2HD1  ILE  29          HD12      ILE  29   0.355  -2.308  -1.034
  244   3HD1  ILE  29          HD13      ILE  29  -0.644  -1.778   0.320
  245    H    VAL  30           HN       VAL  30   1.178  -7.717   0.277
  246    HA   VAL  30           HA       VAL  30  -1.687  -7.722   0.391
  247    HB   VAL  30           HB       VAL  30   0.219  -9.981  -0.297
  248   1HG1  VAL  30          HG11      VAL  30  -2.707  -9.904  -0.051
  249   2HG1  VAL  30          HG12      VAL  30  -2.091 -10.627  -1.533
  250   3HG1  VAL  30          HG13      VAL  30  -1.589 -11.264   0.031
  251   1HG2  VAL  30          HG21      VAL  30  -0.288  -7.711  -1.734
  252   2HG2  VAL  30          HG22      VAL  30   0.288  -9.236  -2.396
  253   3HG2  VAL  30          HG23      VAL  30  -1.431  -8.860  -2.413
  254    H    ALA  31           HN       ALA  31   0.846  -9.632   2.012
  255    HA   ALA  31           HA       ALA  31  -0.843 -11.139   3.687
  256   1HB   ALA  31           HB3      ALA  31   1.486 -11.742   3.250
  257   2HB   ALA  31           HB1      ALA  31   2.029 -10.336   4.167
  258   3HB   ALA  31           HB2      ALA  31   1.163 -11.640   4.981
  259    H    ALA  32           HN       ALA  32   0.591  -7.936   4.106
  260    HA   ALA  32           HA       ALA  32   0.037  -7.578   6.851
  261   1HB   ALA  32           HB3      ALA  32   0.378  -5.572   4.627
  262   2HB   ALA  32           HB1      ALA  32   0.224  -5.132   6.330
  263   3HB   ALA  32           HB2      ALA  32   1.588  -6.113   5.790
  264    H    LEU  33           HN       LEU  33  -1.858  -6.607   3.963
  265    HA   LEU  33           HA       LEU  33  -4.003  -5.487   5.448
  266   1HB   LEU  33           HB2      LEU  33  -3.988  -6.503   2.607
  267   2HB   LEU  33           HB3      LEU  33  -5.291  -5.575   3.333
  268    HG   LEU  33           HG       LEU  33  -2.515  -4.440   3.251
  269   1HD1  LEU  33          HD13      LEU  33  -4.425  -4.738   0.987
  270   2HD1  LEU  33          HD11      LEU  33  -3.506  -3.242   1.136
  271   3HD1  LEU  33          HD12      LEU  33  -2.663  -4.782   0.997
  272   1HD2  LEU  33          HD23      LEU  33  -5.297  -3.288   3.385
  273   2HD2  LEU  33          HD21      LEU  33  -4.057  -3.258   4.638
  274   3HD2  LEU  33          HD22      LEU  33  -3.840  -2.320   3.163
  275    H    GLN  34           HN       GLN  34  -3.307  -8.773   4.407
  276    HA   GLN  34           HA       GLN  34  -5.899  -9.848   4.839
  277   1HB   GLN  34           HB2      GLN  34  -3.149 -11.064   4.693
  278   2HB   GLN  34           HB3      GLN  34  -4.533 -12.050   5.138
  279   1HG   GLN  34           HG2      GLN  34  -5.634 -11.438   3.028
  280   2HG   GLN  34           HG3      GLN  34  -4.213 -10.496   2.579
  281   1HE2  GLN  34          HE22      GLN  34  -3.013 -13.292   0.911
  282   2HE2  GLN  34          HE21      GLN  34  -3.484 -11.632   0.861
  283    H    GLU  35           HN       GLU  35  -3.586  -8.717   7.078
  284    HA   GLU  35           HA       GLU  35  -4.736 -10.278   9.307
  285   1HB   GLU  35           HB2      GLU  35  -2.260  -8.529   9.222
  286   2HB   GLU  35           HB3      GLU  35  -2.842  -9.392  10.640
  287   1HG   GLU  35           HG2      GLU  35  -2.502 -11.517   9.470
  288   2HG   GLU  35           HG3      GLU  35  -1.892 -10.643   8.071
  289    H    GLN  36           HN       GLN  36  -4.953  -7.259   7.777
  290    HA   GLN  36           HA       GLN  36  -5.441  -5.619  10.078
  291   1HB   GLN  36           HB2      GLN  36  -5.733  -5.204   7.112
  292   2HB   GLN  36           HB3      GLN  36  -6.254  -3.994   8.266
  293   1HG   GLN  36           HG2      GLN  36  -3.614  -4.788   8.967
  294   2HG   GLN  36           HG3      GLN  36  -3.647  -4.474   7.236
  295   1HE2  GLN  36          HE22      GLN  36  -3.360  -1.423   9.683
  296   2HE2  GLN  36          HE21      GLN  36  -2.980  -3.069  10.054
  297    H    GLY  37           HN       GLY  37  -7.536  -7.018   7.554
  298   1HA   GLY  37           HA1      GLY  37  -9.698  -7.808   8.823
  299   2HA   GLY  37           HA2      GLY  37  -9.930  -6.072   8.975
  300    H    PHE  38           HN       PHE  38  -8.707  -8.040   6.288
  301    HA   PHE  38           HA       PHE  38 -11.021  -7.217   4.646
  302   1HB   PHE  38           HB2      PHE  38  -8.138  -7.196   3.702
  303   2HB   PHE  38           HB3      PHE  38  -9.553  -6.739   2.763
  304    HD1  PHE  38           HD2      PHE  38 -10.743  -4.669   3.228
  305    HD2  PHE  38           HD1      PHE  38  -7.213  -5.701   5.343
  306    HE1  PHE  38           HE2      PHE  38 -10.537  -2.351   4.014
  307    HE2  PHE  38           HE1      PHE  38  -6.985  -3.389   6.120
  308    HZ   PHE  38           HZ       PHE  38  -8.644  -1.706   5.453
  309    H    ASP  39           HN       ASP  39 -10.849  -8.488   2.430
  310    HA   ASP  39           HA       ASP  39  -9.660 -11.050   2.494
  311   1HB   ASP  39           HB2      ASP  39 -11.658 -11.334   4.080
  312   2HB   ASP  39           HB3      ASP  39 -12.690 -11.097   2.675
  313    H    ASN  40           HN       ASN  40  -9.474 -11.786   0.536
  314    HA   ASN  40           HA       ASN  40  -9.885 -12.229  -1.706
  315   1HB   ASN  40           HB2      ASN  40 -12.329 -11.422  -1.339
  316   2HB   ASN  40           HB3      ASN  40 -11.756  -9.870  -1.939
  317   1HD2  ASN  40          HD22      ASN  40 -11.867 -13.072  -4.487
  318   2HD2  ASN  40          HD21      ASN  40 -11.633 -13.315  -2.791
  319    H    ILE  41           HN       ILE  41  -7.981 -10.590  -0.349
  320    HA   ILE  41           HA       ILE  41  -7.302  -8.551  -2.364
  321    HB   ILE  41           HB       ILE  41  -6.712  -8.834   0.552
  322   1HG1  ILE  41          HG12      ILE  41  -7.252  -6.504   0.600
  323   2HG1  ILE  41          HG13      ILE  41  -7.059  -6.361  -1.147
  324   1HG2  ILE  41          HG21      ILE  41  -4.765  -7.684  -1.420
  325   2HG2  ILE  41          HG22      ILE  41  -4.887  -7.045   0.218
  326   3HG2  ILE  41          HG23      ILE  41  -4.466  -8.735  -0.036
  327   1HD1  ILE  41          HD11      ILE  41  -9.182  -8.048   0.123
  328   2HD1  ILE  41          HD12      ILE  41  -9.411  -6.356  -0.297
  329   3HD1  ILE  41          HD13      ILE  41  -9.055  -7.535  -1.556
  330    H    ASN  42           HN       ASN  42  -6.060  -9.297  -3.897
  331    HA   ASN  42           HA       ASN  42  -4.052 -11.389  -3.304
  332   1HB   ASN  42           HB2      ASN  42  -4.202 -12.060  -5.680
  333   2HB   ASN  42           HB3      ASN  42  -5.747 -12.203  -4.855
  334   1HD2  ASN  42          HD22      ASN  42  -7.420 -10.115  -7.055
  335   2HD2  ASN  42          HD21      ASN  42  -7.474 -11.216  -5.719
  336    H    GLN  43           HN       GLN  43  -2.126 -11.371  -4.780
  337    HA   GLN  43           HA       GLN  43  -0.646  -9.023  -4.466
  338   1HB   GLN  43           HB2      GLN  43   0.051 -11.533  -4.969
  339   2HB   GLN  43           HB3      GLN  43   0.144 -10.938  -6.624
  340   1HG   GLN  43           HG2      GLN  43   1.585  -9.045  -5.609
  341   2HG   GLN  43           HG3      GLN  43   1.744 -10.122  -4.225
  342   1HE2  GLN  43          HE22      GLN  43   3.411 -12.635  -6.319
  343   2HE2  GLN  43          HE21      GLN  43   1.973 -12.557  -5.366
  344    H    SER  44           HN       SER  44  -2.517 -10.105  -7.271
  345    HA   SER  44           HA       SER  44  -1.519  -8.243  -9.125
  346   1HB   SER  44           HB2      SER  44  -4.368  -9.168  -9.298
  347   2HB   SER  44           HB3      SER  44  -3.150  -9.034 -10.557
  348    HG   SER  44           HG       SER  44  -2.083 -10.852  -9.591
  349    H    LYS  45           HN       LYS  45  -4.250  -8.060  -6.869
  350    HA   LYS  45           HA       LYS  45  -5.145  -5.486  -7.698
  351   1HB   LYS  45           HB2      LYS  45  -6.319  -7.363  -6.257
  352   2HB   LYS  45           HB3      LYS  45  -5.583  -6.512  -4.908
  353   1HG   LYS  45           HG2      LYS  45  -7.037  -4.814  -5.028
  354   2HG   LYS  45           HG3      LYS  45  -6.997  -4.759  -6.791
  355   1HD   LYS  45           HD2      LYS  45  -8.454  -6.800  -6.810
  356   2HD   LYS  45           HD3      LYS  45  -8.589  -6.651  -5.056
  357   1HE   LYS  45           HE2      LYS  45  -9.440  -4.284  -5.477
  358   2HE   LYS  45           HE3      LYS  45  -9.572  -4.748  -7.172
  359   1HZ   LYS  45           HZ3      LYS  45 -10.794  -6.753  -5.671
  360   2HZ   LYS  45           HZ2      LYS  45 -11.363  -5.268  -5.061
  361   3HZ   LYS  45           HZ1      LYS  45 -11.533  -5.628  -6.718
  362    H    VAL  46           HN       VAL  46  -2.800  -6.599  -5.337
  363    HA   VAL  46           HA       VAL  46  -2.397  -4.067  -4.056
  364    HB   VAL  46           HB       VAL  46  -0.838  -6.644  -4.001
  365   1HG1  VAL  46          HG13      VAL  46  -0.269  -4.030  -2.648
  366   2HG1  VAL  46          HG11      VAL  46   0.251  -5.558  -1.958
  367   3HG1  VAL  46          HG12      VAL  46   0.835  -5.068  -3.543
  368   1HG2  VAL  46          HG23      VAL  46  -3.013  -5.421  -2.428
  369   2HG2  VAL  46          HG21      VAL  46  -2.604  -7.118  -2.668
  370   3HG2  VAL  46          HG22      VAL  46  -1.721  -6.156  -1.485
  371    H    SER  47           HN       SER  47  -0.795  -5.794  -6.721
  372    HA   SER  47           HA       SER  47   1.275  -3.831  -7.034
  373   1HB   SER  47           HB2      SER  47   1.626  -5.045  -9.254
  374   2HB   SER  47           HB3      SER  47   1.833  -5.991  -7.783
  375    HG   SER  47           HG       SER  47  -0.089  -6.997  -8.134
  376    H    ARG  48           HN       ARG  48  -1.936  -4.361  -8.398
  377    HA   ARG  48           HA       ARG  48  -1.761  -2.354 -10.433
  378   1HB   ARG  48           HB2      ARG  48  -4.043  -3.827  -9.139
  379   2HB   ARG  48           HB3      ARG  48  -4.369  -2.442 -10.170
  380   1HG   ARG  48           HG2      ARG  48  -2.900  -3.658 -11.911
  381   2HG   ARG  48           HG3      ARG  48  -3.172  -5.080 -10.912
  382   1HD   ARG  48           HD2      ARG  48  -4.871  -5.163 -12.525
  383   2HD   ARG  48           HD3      ARG  48  -5.658  -4.526 -11.082
  384    HE   ARG  48           HE       ARG  48  -4.746  -2.362 -12.614
  385   1HH1  ARG  48          HH12      ARG  48  -7.139  -4.918 -12.792
  386   2HH1  ARG  48          HH11      ARG  48  -8.228  -3.993 -13.793
  387   1HH2  ARG  48          HH22      ARG  48  -6.182  -1.157 -13.923
  388   2HH2  ARG  48          HH21      ARG  48  -7.688  -1.870 -14.432
  389    H    MET  49           HN       MET  49  -2.876  -2.362  -7.055
  390    HA   MET  49           HA       MET  49  -3.758   0.331  -6.979
  391   1HB   MET  49           HB2      MET  49  -2.988  -1.649  -4.884
  392   2HB   MET  49           HB3      MET  49  -3.358   0.016  -4.462
  393   1HG   MET  49           HG2      MET  49  -5.133  -2.090  -4.818
  394   2HG   MET  49           HG3      MET  49  -5.519  -0.406  -4.519
  395   1HE   MET  49           HE3      MET  49  -7.172   0.730  -5.876
  396   2HE   MET  49           HE1      MET  49  -7.918   0.006  -7.303
  397   3HE   MET  49           HE2      MET  49  -7.953  -0.850  -5.757
  398    H    LEU  50           HN       LEU  50  -0.619  -1.199  -6.467
  399    HA   LEU  50           HA       LEU  50   0.803   0.987  -5.403
  400   1HB   LEU  50           HB2      LEU  50   1.552  -1.498  -6.899
  401   2HB   LEU  50           HB3      LEU  50   2.769  -0.245  -6.716
  402    HG   LEU  50           HG       LEU  50   1.302  -1.299  -4.332
  403   1HD1  LEU  50          HD13      LEU  50   3.520  -2.610  -5.830
  404   2HD1  LEU  50          HD11      LEU  50   3.420  -2.781  -4.080
  405   3HD1  LEU  50          HD12      LEU  50   2.095  -3.345  -5.095
  406   1HD2  LEU  50          HD21      LEU  50   3.982  -0.019  -4.730
  407   2HD2  LEU  50          HD22      LEU  50   2.567   0.663  -3.923
  408   3HD2  LEU  50          HD23      LEU  50   3.421  -0.700  -3.203
  409    H    THR  51           HN       THR  51   0.160   0.019  -8.763
  410    HA   THR  51           HA       THR  51   1.600   2.170  -9.965
  411    HB   THR  51           HB       THR  51  -0.686   0.667 -11.260
  412    HG1  THR  51           HG1      THR  51   1.879  -0.245 -10.543
  413   1HG2  THR  51          HG23      THR  51   0.730   2.572 -12.402
  414   2HG2  THR  51          HG22      THR  51   1.901   1.269 -12.605
  415   3HG2  THR  51          HG21      THR  51   0.280   1.112 -13.284
  416    H    LYS  52           HN       LYS  52  -1.846   1.649  -9.192
  417    HA   LYS  52           HA       LYS  52  -2.902   3.991 -10.323
  418   1HB   LYS  52           HB2      LYS  52  -4.281   2.093  -9.593
  419   2HB   LYS  52           HB3      LYS  52  -3.893   2.435  -7.916
  420   1HG   LYS  52           HG2      LYS  52  -5.027   4.737  -9.304
  421   2HG   LYS  52           HG3      LYS  52  -6.095   3.334  -9.302
  422   1HD   LYS  52           HD2      LYS  52  -6.049   3.199  -6.911
  423   2HD   LYS  52           HD3      LYS  52  -4.764   4.404  -6.813
  424   1HE   LYS  52           HE2      LYS  52  -6.862   5.429  -6.217
  425   2HE   LYS  52           HE3      LYS  52  -6.313   6.084  -7.761
  426   1HZ   LYS  52           HZ1      LYS  52  -8.279   3.865  -7.550
  427   2HZ   LYS  52           HZ3      LYS  52  -8.730   5.503  -7.638
  428   3HZ   LYS  52           HZ2      LYS  52  -7.890   4.781  -8.934
  429    H    PHE  53           HN       PHE  53  -1.990   3.398  -6.913
  430    HA   PHE  53           HA       PHE  53  -2.395   6.126  -6.138
  431   1HB   PHE  53           HB2      PHE  53  -1.068   3.791  -4.738
  432   2HB   PHE  53           HB3      PHE  53  -1.213   5.386  -4.010
  433    HD1  PHE  53           HD1      PHE  53  -3.756   6.360  -4.257
  434    HD2  PHE  53           HD2      PHE  53  -2.624   2.261  -4.090
  435    HE1  PHE  53           HE1      PHE  53  -6.011   5.767  -3.464
  436    HE2  PHE  53           HE2      PHE  53  -4.860   1.662  -3.297
  437    HZ   PHE  53           HZ       PHE  53  -6.564   3.406  -2.993
  438    H    GLY  54           HN       GLY  54   0.259   4.393  -7.531
  439   1HA   GLY  54           HA1      GLY  54   2.219   5.200  -8.421
  440   2HA   GLY  54           HA2      GLY  54   1.765   6.809  -7.880
  441    H    ALA  55           HN       ALA  55   2.676   3.694  -6.377
  442    HA   ALA  55           HA       ALA  55   4.036   5.032  -4.201
  443   1HB   ALA  55           HB1      ALA  55   2.805   2.908  -3.883
  444   2HB   ALA  55           HB2      ALA  55   4.008   2.096  -4.881
  445   3HB   ALA  55           HB3      ALA  55   4.481   2.820  -3.346
  446    H    VAL  56           HN       VAL  56   6.260   4.940  -3.753
  447    HA   VAL  56           HA       VAL  56   8.043   4.195  -5.987
  448    HB   VAL  56           HB       VAL  56   9.416   6.155  -5.629
  449   1HG1  VAL  56          HG13      VAL  56   7.492   6.393  -7.151
  450   2HG1  VAL  56          HG11      VAL  56   6.526   7.012  -5.808
  451   3HG1  VAL  56          HG12      VAL  56   7.928   7.917  -6.373
  452   1HG2  VAL  56          HG21      VAL  56   7.581   6.688  -3.312
  453   2HG2  VAL  56          HG22      VAL  56   9.346   6.662  -3.354
  454   3HG2  VAL  56          HG23      VAL  56   8.464   8.000  -4.092
  455    H    ARG  57           HN       ARG  57   9.986   3.210  -5.375
  456    HA   ARG  57           HA       ARG  57  10.137   2.356  -2.581
  457   1HB   ARG  57           HB2      ARG  57  11.765   1.501  -4.967
  458   2HB   ARG  57           HB3      ARG  57  11.946   0.846  -3.348
  459   1HG   ARG  57           HG2      ARG  57   9.279   0.521  -3.827
  460   2HG   ARG  57           HG3      ARG  57   9.968   0.249  -5.416
  461   1HD   ARG  57           HD2      ARG  57  10.335  -1.287  -2.876
  462   2HD   ARG  57           HD3      ARG  57   9.950  -1.873  -4.493
  463    HE   ARG  57           HE       ARG  57  12.541  -0.733  -4.487
  464   1HH1  ARG  57          HH12      ARG  57  10.827  -3.570  -3.322
  465   2HH1  ARG  57          HH11      ARG  57  12.244  -4.583  -3.337
  466   1HH2  ARG  57          HH22      ARG  57  14.370  -2.051  -4.496
  467   2HH2  ARG  57          HH21      ARG  57  14.253  -3.709  -3.999
  468    H    THR  58           HN       THR  58  11.694   2.944  -1.164
  469    HA   THR  58           HA       THR  58  14.058   4.405  -2.008
  470    HB   THR  58           HB       THR  58  12.157   6.107  -1.867
  471    HG1  THR  58           HG1      THR  58  14.378   6.693  -1.696
  472   1HG2  THR  58          HG21      THR  58  11.159   5.148   0.237
  473   2HG2  THR  58          HG23      THR  58  12.506   5.884   1.103
  474   3HG2  THR  58          HG22      THR  58  11.382   6.896   0.199
  475    H    ARG  59           HN       ARG  59  15.516   4.877  -0.153
  476    HA   ARG  59           HA       ARG  59  15.636   2.647   1.633
  477   1HB   ARG  59           HB2      ARG  59  17.341   5.005   0.998
  478   2HB   ARG  59           HB3      ARG  59  17.584   4.237   2.551
  479   1HG   ARG  59           HG2      ARG  59  17.664   2.047   1.075
  480   2HG   ARG  59           HG3      ARG  59  18.115   3.206  -0.183
  481   1HD   ARG  59           HD2      ARG  59  19.515   2.756   2.449
  482   2HD   ARG  59           HD3      ARG  59  20.109   2.333   0.849
  483    HE   ARG  59           HE       ARG  59  19.584   5.075   0.858
  484   1HH1  ARG  59          HH12      ARG  59  21.755   2.829   2.410
  485   2HH1  ARG  59          HH11      ARG  59  23.023   3.996   2.631
  486   1HH2  ARG  59          HH22      ARG  59  21.234   6.625   1.134
  487   2HH2  ARG  59          HH21      ARG  59  22.731   6.163   1.901
  488    H    ASN  60           HN       ASN  60  14.661   2.482   3.551
  489    HA   ASN  60           HA       ASN  60  13.495   4.830   4.816
  490   1HB   ASN  60           HB2      ASN  60  12.263   3.294   6.205
  491   2HB   ASN  60           HB3      ASN  60  12.170   2.759   4.539
  492   1HD2  ASN  60          HD22      ASN  60  12.679  -0.249   6.540
  493   2HD2  ASN  60          HD21      ASN  60  11.463   0.964   6.321
  494    H    ALA  61           HN       ALA  61  13.525   3.891   7.504
  495    HA   ALA  61           HA       ALA  61  15.849   5.126   8.470
  496   1HB   ALA  61           HB3      ALA  61  13.727   4.973   9.722
  497   2HB   ALA  61           HB1      ALA  61  14.028   3.257   9.992
  498   3HB   ALA  61           HB2      ALA  61  15.119   4.463  10.676
  499    H    LYS  62           HN       LYS  62  15.353   1.841   7.493
  500    HA   LYS  62           HA       LYS  62  17.853   0.992   8.816
  501   1HB   LYS  62           HB2      LYS  62  15.553  -0.642   7.746
  502   2HB   LYS  62           HB3      LYS  62  17.077  -1.319   8.307
  503   1HG   LYS  62           HG2      LYS  62  16.605  -0.912  10.508
  504   2HG   LYS  62           HG3      LYS  62  15.583   0.479  10.151
  505   1HD   LYS  62           HD2      LYS  62  13.873  -1.090   9.229
  506   2HD   LYS  62           HD3      LYS  62  14.881  -2.431   9.771
  507   1HE   LYS  62           HE2      LYS  62  13.637  -0.307  11.521
  508   2HE   LYS  62           HE3      LYS  62  13.109  -1.985  11.377
  509   1HZ   LYS  62           HZ3      LYS  62  15.647  -2.367  12.040
  510   2HZ   LYS  62           HZ2      LYS  62  15.389  -0.871  12.820
  511   3HZ   LYS  62           HZ1      LYS  62  14.406  -2.212  13.192
  512    H    MET  63           HN       MET  63  17.371   2.423   6.101
  513    HA   MET  63           HA       MET  63  18.458   2.495   4.118
  514   1HB   MET  63           HB2      MET  63  20.118   0.083   4.795
  515   2HB   MET  63           HB3      MET  63  20.568   1.529   3.920
  516   1HG   MET  63           HG2      MET  63  20.254   1.196   6.865
  517   2HG   MET  63           HG3      MET  63  21.711   1.598   5.965
  518   1HE   MET  63           HE3      MET  63  20.662   2.731   8.463
  519   2HE   MET  63           HE1      MET  63  21.484   4.257   8.154
  520   3HE   MET  63           HE2      MET  63  19.742   4.235   8.426
  521    H    GLU  64           HN       GLU  64  16.239   0.330   4.743
  522    HA   GLU  64           HA       GLU  64  16.693  -1.530   2.544
  523   1HB   GLU  64           HB2      GLU  64  14.293  -1.257   4.373
  524   2HB   GLU  64           HB3      GLU  64  14.604  -2.574   3.247
  525   1HG   GLU  64           HG2      GLU  64  16.802  -2.851   4.637
  526   2HG   GLU  64           HG3      GLU  64  15.900  -1.968   5.864
  527    H    MET  65           HN       MET  65  15.780  -1.393   0.565
  528    HA   MET  65           HA       MET  65  14.454   1.018  -0.246
  529   1HB   MET  65           HB2      MET  65  14.913  -1.571  -1.758
  530   2HB   MET  65           HB3      MET  65  14.349  -0.067  -2.473
  531   1HG   MET  65           HG2      MET  65  17.016  -0.445  -1.125
  532   2HG   MET  65           HG3      MET  65  16.737  -0.486  -2.859
  533   1HE   MET  65           HE2      MET  65  16.334   1.354  -4.344
  534   2HE   MET  65           HE3      MET  65  14.850   1.964  -3.619
  535   3HE   MET  65           HE1      MET  65  16.191   3.061  -3.936
  536    H    VAL  66           HN       VAL  66  12.496   1.136   0.896
  537    HA   VAL  66           HA       VAL  66  10.546  -1.020   0.435
  538    HB   VAL  66           HB       VAL  66   9.308  -0.088   2.387
  539   1HG1  VAL  66          HG11      VAL  66  12.168  -0.956   2.825
  540   2HG1  VAL  66          HG12      VAL  66  10.931  -0.916   4.080
  541   3HG1  VAL  66          HG13      VAL  66  10.750  -1.994   2.694
  542   1HG2  VAL  66          HG23      VAL  66  11.760   1.675   2.605
  543   2HG2  VAL  66          HG21      VAL  66  10.083   2.193   2.423
  544   3HG2  VAL  66          HG22      VAL  66  10.611   1.414   3.912
  545    H    TYR  67           HN       TYR  67   8.415  -0.554  -0.046
  546    HA   TYR  67           HA       TYR  67   7.926   1.526  -1.935
  547   1HB   TYR  67           HB2      TYR  67   6.292  -0.660  -0.659
  548   2HB   TYR  67           HB3      TYR  67   5.460   0.628  -1.508
  549    HD1  TYR  67           HD1      TYR  67   7.042   1.123  -3.866
  550    HD2  TYR  67           HD2      TYR  67   6.076  -2.554  -1.956
  551    HE1  TYR  67           HE1      TYR  67   7.272  -0.045  -6.014
  552    HE2  TYR  67           HE2      TYR  67   6.290  -3.738  -4.101
  553    HH   TYR  67           HH       TYR  67   6.235  -2.283  -6.999
  554    H    CYS  68           HN       CYS  68   7.648   3.599  -1.316
  555    HA   CYS  68           HA       CYS  68   5.896   4.148   1.006
  556   1HB   CYS  68           HB2      CYS  68   7.084   6.263   1.350
  557   2HB   CYS  68           HB3      CYS  68   8.198   4.914   1.457
  558    HG   CYS  68           HG       CYS  68   8.093   6.544  -1.172
  559    H    LEU  69           HN       LEU  69   4.906   6.414   0.772
  560    HA   LEU  69           HA       LEU  69   3.790   6.588  -1.946
  561   1HB   LEU  69           HB2      LEU  69   2.451   6.152   0.338
  562   2HB   LEU  69           HB3      LEU  69   2.423   7.906   0.339
  563    HG   LEU  69           HG       LEU  69   1.368   7.869  -1.901
  564   1HD1  LEU  69          HD13      LEU  69   2.045   5.054  -1.707
  565   2HD1  LEU  69          HD11      LEU  69   0.347   5.305  -2.112
  566   3HD1  LEU  69          HD12      LEU  69   1.610   6.018  -3.116
  567   1HD2  LEU  69          HD22      LEU  69   0.041   6.424   0.375
  568   2HD2  LEU  69          HD23      LEU  69  -0.114   8.118  -0.095
  569   3HD2  LEU  69          HD21      LEU  69  -0.812   6.857  -1.109
  570    HA   PRO  70           HA       PRO  70   5.689  10.713  -2.307
  571   1HB   PRO  70           HB2      PRO  70   3.868  10.967  -4.619
  572   2HB   PRO  70           HB3      PRO  70   5.629  11.063  -4.558
  573   1HG   PRO  70           HG2      PRO  70   4.386   8.970  -5.660
  574   2HG   PRO  70           HG3      PRO  70   5.886   8.772  -4.734
  575   1HD   PRO  70           HD2      PRO  70   3.048   8.280  -3.864
  576   2HD   PRO  70           HD3      PRO  70   4.491   7.272  -3.626
  577    H    ALA  71           HN       ALA  71   4.008  12.663  -3.607
  578    HA   ALA  71           HA       ALA  71   2.552  13.774  -1.460
  579   1HB   ALA  71           HB3      ALA  71   3.372  15.130  -3.316
  580   2HB   ALA  71           HB1      ALA  71   2.259  14.322  -4.422
  581   3HB   ALA  71           HB2      ALA  71   1.631  15.336  -3.121
  582    H    GLU  72           HN       GLU  72   0.155  14.185  -1.429
  583    HA   GLU  72           HA       GLU  72  -1.262  11.757  -1.452
  584   1HB   GLU  72           HB2      GLU  72  -2.322  14.585  -1.261
  585   2HB   GLU  72           HB3      GLU  72  -3.200  13.136  -0.822
  586   1HG   GLU  72           HG2      GLU  72  -0.596  13.829   0.486
  587   2HG   GLU  72           HG3      GLU  72  -2.117  14.520   1.039
  588    H    LEU  73           HN       LEU  73  -1.182  10.894  -3.525
  589    HA   LEU  73           HA       LEU  73  -2.435  12.300  -5.750
  590   1HB   LEU  73           HB2      LEU  73  -0.309  10.668  -5.705
  591   2HB   LEU  73           HB3      LEU  73  -1.541   9.458  -5.994
  592    HG   LEU  73           HG       LEU  73  -2.277  10.995  -7.946
  593   1HD1  LEU  73          HD11      LEU  73  -0.739  12.850  -7.084
  594   2HD1  LEU  73          HD12      LEU  73   0.567  11.921  -7.814
  595   3HD1  LEU  73          HD13      LEU  73  -0.751  12.526  -8.816
  596   1HD2  LEU  73          HD21      LEU  73   0.255   9.371  -7.941
  597   2HD2  LEU  73          HD22      LEU  73  -1.366   8.857  -8.404
  598   3HD2  LEU  73          HD23      LEU  73  -0.484  10.003  -9.411
  599    H    GLY  74           HN       GLY  74  -4.491  12.350  -4.536
  600   1HA   GLY  74           HA1      GLY  74  -6.247  10.236  -5.428
  601   2HA   GLY  74           HA2      GLY  74  -6.074  10.301  -3.676
  602    H    VAL  75           HN       VAL  75  -5.822  13.130  -3.446
  603    HA   VAL  75           HA       VAL  75  -8.462  14.097  -4.352
  604    HB   VAL  75           HB       VAL  75  -8.476  15.465  -2.204
  605   1HG1  VAL  75          HG23      VAL  75  -8.717  12.459  -2.031
  606   2HG1  VAL  75          HG21      VAL  75  -9.400  13.608  -0.877
  607   3HG1  VAL  75          HG22      VAL  75  -9.972  13.588  -2.546
  608   1HG2  VAL  75          HG13      VAL  75  -5.933  14.427  -1.849
  609   2HG2  VAL  75          HG11      VAL  75  -6.905  15.238  -0.624
  610   3HG2  VAL  75          HG12      VAL  75  -6.923  13.477  -0.743
  611    HA   PRO  76           HA       PRO  76  -5.065  16.913  -5.886
  612   1HB   PRO  76           HB2      PRO  76  -6.182  17.358  -8.336
  613   2HB   PRO  76           HB3      PRO  76  -5.142  15.976  -7.978
  614   1HG   PRO  76           HG2      PRO  76  -8.132  16.119  -8.076
  615   2HG   PRO  76           HG3      PRO  76  -7.049  14.882  -8.740
  616   1HD   PRO  76           HD2      PRO  76  -8.370  14.536  -6.418
  617   2HD   PRO  76           HD3      PRO  76  -6.752  13.857  -6.693
  618    H    THR  77           HN       THR  77  -5.085  19.037  -5.481
  619    HA   THR  77           HA       THR  77  -7.470  20.646  -5.964
  620    HB   THR  77           HB       THR  77  -7.638  19.694  -3.620
  621    HG1  THR  77           HG1      THR  77  -8.715  21.588  -4.097
  622   1HG2  THR  77          HG23      THR  77  -5.037  20.133  -3.218
  623   2HG2  THR  77          HG22      THR  77  -5.680  21.634  -2.555
  624   3HG2  THR  77          HG21      THR  77  -6.223  20.084  -1.917
  625    H    THR  78           HN       THR  78  -5.371  20.833  -7.504
  626    HA   THR  78           HA       THR  78  -4.146  23.405  -6.803
  627    HB   THR  78           HB       THR  78  -2.006  22.427  -7.989
  628    HG1  THR  78           HG1      THR  78  -3.129  20.362  -8.360
  629   1HG2  THR  78          HG21      THR  78  -2.707  21.767  -5.140
  630   2HG2  THR  78          HG23      THR  78  -1.092  21.613  -5.838
  631   3HG2  THR  78          HG22      THR  78  -1.865  23.197  -5.738
   
  No H/Q in entry =         631
  Start of MODEL   18
    1   1H    MET   1           HT3      MET   1 -22.156   9.842  12.107
    2   2H    MET   1           HT2      MET   1 -22.241   8.799  13.474
    3   3H    MET   1           HT1      MET   1 -21.274  10.228  13.533
    4    HA   MET   1           HA       MET   1 -19.769   9.387  11.989
    5   1HB   MET   1           HB2      MET   1 -20.521   7.221  13.989
    6   2HB   MET   1           HB3      MET   1 -18.949   7.411  13.224
    7   1HG   MET   1           HG2      MET   1 -18.517   8.396  15.221
    8   2HG   MET   1           HG3      MET   1 -19.079   9.801  14.325
    9   1HE   MET   1           HE2      MET   1 -19.384   7.720  17.406
   10   2HE   MET   1           HE3      MET   1 -21.078   7.780  17.893
   11   3HE   MET   1           HE1      MET   1 -20.598   6.799  16.512
   12    H    ARG   2           HN       ARG   2 -21.236   9.205  10.043
   13    HA   ARG   2           HA       ARG   2 -21.491   6.378   9.228
   14   1HB   ARG   2           HB2      ARG   2 -23.556   8.537   8.683
   15   2HB   ARG   2           HB3      ARG   2 -23.612   6.883   8.085
   16   1HG   ARG   2           HG2      ARG   2 -23.624   6.157  10.523
   17   2HG   ARG   2           HG3      ARG   2 -23.936   7.853  10.910
   18   1HD   ARG   2           HD2      ARG   2 -26.050   6.789  10.818
   19   2HD   ARG   2           HD3      ARG   2 -25.902   7.745   9.338
   20    HE   ARG   2           HE       ARG   2 -24.990   5.150   8.794
   21   1HH1  ARG   2          HH12      ARG   2 -27.978   6.804   9.589
   22   2HH1  ARG   2          HH11      ARG   2 -28.981   5.652   8.748
   23   1HH2  ARG   2          HH22      ARG   2 -26.296   3.646   7.698
   24   2HH2  ARG   2          HH21      ARG   2 -28.024   3.857   7.672
   25    H    SER   3           HN       SER   3 -19.763   6.367   7.865
   26    HA   SER   3           HA       SER   3 -19.517   8.457   5.820
   27   1HB   SER   3           HB2      SER   3 -17.359   7.076   5.276
   28   2HB   SER   3           HB3      SER   3 -17.392   8.092   6.709
   29    HG   SER   3           HG       SER   3 -17.891   6.219   7.943
   30    H    SER   4           HN       SER   4 -19.890   4.940   6.125
   31    HA   SER   4           HA       SER   4 -20.703   3.348   4.723
   32   1HB   SER   4           HB2      SER   4 -21.706   5.590   2.937
   33   2HB   SER   4           HB3      SER   4 -22.265   3.920   2.969
   34    HG   SER   4           HG       SER   4 -23.075   6.009   4.468
   35    H    ALA   5           HN       ALA   5 -18.330   3.097   4.487
   36    HA   ALA   5           HA       ALA   5 -17.132   4.064   2.012
   37   1HB   ALA   5           HB1      ALA   5 -16.023   2.479   4.326
   38   2HB   ALA   5           HB2      ALA   5 -15.085   2.958   2.913
   39   3HB   ALA   5           HB3      ALA   5 -15.772   4.186   3.970
   40    H    LYS   6           HN       LYS   6 -17.813   2.958   0.231
   41    HA   LYS   6           HA       LYS   6 -18.116   0.067   0.263
   42   1HB   LYS   6           HB2      LYS   6 -18.569   2.207  -1.785
   43   2HB   LYS   6           HB3      LYS   6 -18.376   0.541  -2.313
   44   1HG   LYS   6           HG2      LYS   6 -20.720   1.069  -2.054
   45   2HG   LYS   6           HG3      LYS   6 -20.233  -0.140  -0.868
   46   1HD   LYS   6           HD2      LYS   6 -20.251   1.441   0.895
   47   2HD   LYS   6           HD3      LYS   6 -20.337   2.800  -0.227
   48   1HE   LYS   6           HE2      LYS   6 -22.496   2.408   0.830
   49   2HE   LYS   6           HE3      LYS   6 -22.582   2.114  -0.907
   50   1HZ   LYS   6           HZ1      LYS   6 -22.109  -0.113   0.985
   51   2HZ   LYS   6           HZ3      LYS   6 -23.682   0.452   0.671
   52   3HZ   LYS   6           HZ2      LYS   6 -22.734  -0.171  -0.600
   53    H    GLN   7           HN       GLN   7 -16.037  -0.533   0.844
   54    HA   GLN   7           HA       GLN   7 -13.992  -1.381   0.536
   55   1HB   GLN   7           HB2      GLN   7 -15.105  -1.927  -1.747
   56   2HB   GLN   7           HB3      GLN   7 -14.010  -0.700  -2.373
   57   1HG   GLN   7           HG2      GLN   7 -12.519  -2.337  -2.555
   58   2HG   GLN   7           HG3      GLN   7 -12.356  -2.193  -0.805
   59   1HE2  GLN   7          HE22      GLN   7 -13.645  -5.342  -0.133
   60   2HE2  GLN   7          HE21      GLN   7 -12.933  -3.880   0.447
   61    H    GLU   8           HN       GLU   8 -14.463   1.703   0.715
   62    HA   GLU   8           HA       GLU   8 -11.962   2.754  -0.333
   63   1HB   GLU   8           HB2      GLU   8 -13.779   4.125   1.656
   64   2HB   GLU   8           HB3      GLU   8 -12.611   4.861   0.570
   65   1HG   GLU   8           HG2      GLU   8 -14.034   4.151  -1.343
   66   2HG   GLU   8           HG3      GLU   8 -15.231   3.582  -0.186
   67    H    GLU   9           HN       GLU   9 -12.754   0.866   2.303
   68    HA   GLU   9           HA       GLU   9 -11.055   2.128   4.294
   69   1HB   GLU   9           HB2      GLU   9 -12.532  -0.509   4.305
   70   2HB   GLU   9           HB3      GLU   9 -11.589   0.105   5.661
   71   1HG   GLU   9           HG2      GLU   9 -13.857   1.639   4.429
   72   2HG   GLU   9           HG3      GLU   9 -14.092   0.489   5.741
   73    H    LEU  10           HN       LEU  10 -10.974  -0.579   2.091
   74    HA   LEU  10           HA       LEU  10  -8.485  -1.704   2.837
   75   1HB   LEU  10           HB2      LEU  10  -9.859  -3.025   1.472
   76   2HB   LEU  10           HB3      LEU  10 -10.156  -1.726   0.335
   77    HG   LEU  10           HG       LEU  10  -7.871  -1.946  -0.523
   78   1HD1  LEU  10          HD11      LEU  10  -7.587  -3.688   1.823
   79   2HD1  LEU  10          HD12      LEU  10  -6.875  -4.312   0.338
   80   3HD1  LEU  10          HD13      LEU  10  -6.382  -2.739   0.953
   81   1HD2  LEU  10          HD21      LEU  10  -9.824  -3.307  -1.387
   82   2HD2  LEU  10          HD22      LEU  10  -8.213  -3.915  -1.772
   83   3HD2  LEU  10          HD23      LEU  10  -9.156  -4.663  -0.478
   84    H    VAL  11           HN       VAL  11  -9.437   1.092   1.010
   85    HA   VAL  11           HA       VAL  11  -6.873   1.590  -0.196
   86    HB   VAL  11           HB       VAL  11  -9.320   3.337   0.149
   87   1HG1  VAL  11          HG11      VAL  11  -6.601   4.067  -0.851
   88   2HG1  VAL  11          HG12      VAL  11  -8.020   4.760  -1.634
   89   3HG1  VAL  11          HG13      VAL  11  -7.749   5.021   0.087
   90   1HG2  VAL  11          HG22      VAL  11  -8.055   1.950  -2.207
   91   2HG2  VAL  11          HG23      VAL  11  -9.622   1.610  -1.475
   92   3HG2  VAL  11          HG21      VAL  11  -9.364   3.123  -2.344
   93    H    LYS  12           HN       LYS  12  -8.596   3.145   2.605
   94    HA   LYS  12           HA       LYS  12  -6.600   4.902   3.366
   95   1HB   LYS  12           HB2      LYS  12  -8.529   3.389   5.103
   96   2HB   LYS  12           HB3      LYS  12  -7.377   4.533   5.772
   97   1HG   LYS  12           HG2      LYS  12  -8.776   6.188   5.362
   98   2HG   LYS  12           HG3      LYS  12  -8.683   5.839   3.630
   99   1HD   LYS  12           HD2      LYS  12 -10.340   4.009   4.082
  100   2HD   LYS  12           HD3      LYS  12 -10.605   4.738   5.659
  101   1HE   LYS  12           HE2      LYS  12 -10.963   6.916   4.175
  102   2HE   LYS  12           HE3      LYS  12 -11.373   5.725   2.946
  103   1HZ   LYS  12           HZ3      LYS  12 -12.829   4.806   4.956
  104   2HZ   LYS  12           HZ2      LYS  12 -12.796   6.447   5.395
  105   3HZ   LYS  12           HZ1      LYS  12 -13.411   5.988   3.874
  106    H    ALA  13           HN       ALA  13  -6.988   1.559   4.497
  107    HA   ALA  13           HA       ALA  13  -4.690   1.377   6.084
  108   1HB   ALA  13           HB2      ALA  13  -6.129  -0.782   4.547
  109   2HB   ALA  13           HB3      ALA  13  -4.924  -1.065   5.801
  110   3HB   ALA  13           HB1      ALA  13  -6.442  -0.271   6.203
  111    H    PHE  14           HN       PHE  14  -5.118   0.639   2.620
  112    HA   PHE  14           HA       PHE  14  -2.612  -0.423   2.000
  113   1HB   PHE  14           HB2      PHE  14  -4.650  -0.201   0.483
  114   2HB   PHE  14           HB3      PHE  14  -4.177   1.449   0.216
  115    HD1  PHE  14           HD2      PHE  14  -3.293  -2.043  -0.408
  116    HD2  PHE  14           HD1      PHE  14  -2.314   2.028  -1.178
  117    HE1  PHE  14           HE2      PHE  14  -1.812  -2.746  -2.232
  118    HE2  PHE  14           HE1      PHE  14  -0.828   1.323  -3.008
  119    HZ   PHE  14           HZ       PHE  14  -0.579  -1.060  -3.527
  120    H    LYS  15           HN       LYS  15  -3.617   2.938   1.454
  121    HA   LYS  15           HA       LYS  15  -1.219   4.132   0.873
  122   1HB   LYS  15           HB2      LYS  15  -3.362   5.437   2.584
  123   2HB   LYS  15           HB3      LYS  15  -2.273   6.225   1.444
  124   1HG   LYS  15           HG2      LYS  15  -4.201   4.162   0.466
  125   2HG   LYS  15           HG3      LYS  15  -4.767   5.789   0.814
  126   1HD   LYS  15           HD2      LYS  15  -2.311   5.716  -0.765
  127   2HD   LYS  15           HD3      LYS  15  -3.652   4.877  -1.537
  128   1HE   LYS  15           HE2      LYS  15  -3.489   7.291  -2.170
  129   2HE   LYS  15           HE3      LYS  15  -5.037   6.837  -1.452
  130   1HZ   LYS  15           HZ1      LYS  15  -4.245   7.740   0.681
  131   2HZ   LYS  15           HZ3      LYS  15  -2.815   8.246  -0.075
  132   3HZ   LYS  15           HZ2      LYS  15  -4.298   8.922  -0.546
  133    H    ALA  16           HN       ALA  16  -2.574   3.619   4.111
  134    HA   ALA  16           HA       ALA  16  -0.663   5.056   5.584
  135   1HB   ALA  16           HB2      ALA  16  -2.925   4.266   6.385
  136   2HB   ALA  16           HB3      ALA  16  -2.193   2.680   6.631
  137   3HB   ALA  16           HB1      ALA  16  -1.596   4.077   7.526
  138    H    LEU  17           HN       LEU  17  -0.804   1.572   4.795
  139    HA   LEU  17           HA       LEU  17   1.452   0.745   6.255
  140   1HB   LEU  17           HB2      LEU  17   0.259  -0.364   3.704
  141   2HB   LEU  17           HB3      LEU  17   1.534  -1.160   4.601
  142    HG   LEU  17           HG       LEU  17  -1.282  -0.659   5.513
  143   1HD1  LEU  17          HD13      LEU  17   0.285  -3.131   4.856
  144   2HD1  LEU  17          HD11      LEU  17  -1.251  -3.161   5.721
  145   3HD1  LEU  17          HD12      LEU  17  -1.177  -2.537   4.072
  146   1HD2  LEU  17          HD21      LEU  17   1.118  -1.565   7.052
  147   2HD2  LEU  17          HD22      LEU  17  -0.066  -0.330   7.475
  148   3HD2  LEU  17          HD23      LEU  17  -0.514  -2.033   7.523
  149    H    LEU  18           HN       LEU  18   1.203   1.836   2.869
  150    HA   LEU  18           HA       LEU  18   3.918   1.446   2.177
  151   1HB   LEU  18           HB2      LEU  18   2.091   3.594   1.121
  152   2HB   LEU  18           HB3      LEU  18   3.540   2.985   0.345
  153    HG   LEU  18           HG       LEU  18   1.342   1.063   0.939
  154   1HD1  LEU  18          HD13      LEU  18   0.884   3.434  -0.516
  155   2HD1  LEU  18          HD11      LEU  18   0.995   2.114  -1.687
  156   3HD1  LEU  18          HD12      LEU  18  -0.160   2.022  -0.360
  157   1HD2  LEU  18          HD23      LEU  18   3.353   1.344  -1.281
  158   2HD2  LEU  18          HD21      LEU  18   3.400   0.185   0.053
  159   3HD2  LEU  18          HD22      LEU  18   2.134   0.076  -1.173
  160    H    LYS  19           HN       LYS  19   2.269   4.294   3.509
  161    HA   LYS  19           HA       LYS  19   4.499   6.002   3.449
  162   1HB   LYS  19           HB2      LYS  19   1.931   6.039   5.018
  163   2HB   LYS  19           HB3      LYS  19   3.138   7.311   5.180
  164   1HG   LYS  19           HG2      LYS  19   3.002   7.569   2.664
  165   2HG   LYS  19           HG3      LYS  19   1.565   6.542   2.727
  166   1HD   LYS  19           HD2      LYS  19   0.843   8.833   2.761
  167   2HD   LYS  19           HD3      LYS  19   0.599   8.185   4.387
  168   1HE   LYS  19           HE2      LYS  19   2.310   9.429   5.294
  169   2HE   LYS  19           HE3      LYS  19   3.183   9.537   3.764
  170   1HZ   LYS  19           HZ1      LYS  19   0.662  10.860   3.623
  171   2HZ   LYS  19           HZ3      LYS  19   1.615  11.478   4.896
  172   3HZ   LYS  19           HZ2      LYS  19   2.220  11.454   3.300
  173    H    GLU  20           HN       GLU  20   4.055   3.310   5.447
  174    HA   GLU  20           HA       GLU  20   5.391   4.303   7.806
  175   1HB   GLU  20           HB2      GLU  20   4.769   1.500   6.849
  176   2HB   GLU  20           HB3      GLU  20   5.619   1.831   8.349
  177   1HG   GLU  20           HG2      GLU  20   3.704   3.007   9.227
  178   2HG   GLU  20           HG3      GLU  20   2.853   2.814   7.696
  179    H    GLU  21           HN       GLU  21   6.393   3.087   4.717
  180    HA   GLU  21           HA       GLU  21   8.410   2.715   3.741
  181   1HB   GLU  21           HB2      GLU  21   9.689   4.010   6.164
  182   2HB   GLU  21           HB3      GLU  21  10.390   3.815   4.564
  183   1HG   GLU  21           HG2      GLU  21   8.708   5.340   3.639
  184   2HG   GLU  21           HG3      GLU  21   8.019   5.554   5.245
  185    H    LYS  22           HN       LYS  22   7.407   0.584   4.680
  186    HA   LYS  22           HA       LYS  22   9.557  -0.937   5.997
  187   1HB   LYS  22           HB2      LYS  22   8.170  -0.541   7.829
  188   2HB   LYS  22           HB3      LYS  22   6.708  -0.533   6.863
  189   1HG   LYS  22           HG2      LYS  22   6.315  -2.704   7.183
  190   2HG   LYS  22           HG3      LYS  22   8.003  -3.148   7.001
  191   1HD   LYS  22           HD2      LYS  22   7.725  -3.649   9.201
  192   2HD   LYS  22           HD3      LYS  22   8.250  -1.976   9.344
  193   1HE   LYS  22           HE2      LYS  22   5.335  -2.700   9.170
  194   2HE   LYS  22           HE3      LYS  22   6.202  -2.750  10.703
  195   1HZ   LYS  22           HZ3      LYS  22   6.873  -0.306   9.828
  196   2HZ   LYS  22           HZ2      LYS  22   5.314  -0.465   9.152
  197   3HZ   LYS  22           HZ1      LYS  22   5.528  -0.627  10.824
  198    H    PHE  23           HN       PHE  23   6.970  -0.793   3.725
  199    HA   PHE  23           HA       PHE  23   6.848  -3.617   3.226
  200   1HB   PHE  23           HB2      PHE  23   5.452  -1.150   2.215
  201   2HB   PHE  23           HB3      PHE  23   5.176  -2.713   1.474
  202    HD1  PHE  23           HD1      PHE  23   4.927  -0.745   4.541
  203    HD2  PHE  23           HD2      PHE  23   4.048  -4.488   2.739
  204    HE1  PHE  23           HE1      PHE  23   3.560  -1.340   6.482
  205    HE2  PHE  23           HE2      PHE  23   2.661  -5.090   4.680
  206    HZ   PHE  23           HZ       PHE  23   2.403  -3.516   6.551
  207    H    SER  24           HN       SER  24   8.537  -4.491   2.169
  208    HA   SER  24           HA       SER  24   9.966  -3.066   0.176
  209   1HB   SER  24           HB2      SER  24  11.434  -4.965   0.073
  210   2HB   SER  24           HB3      SER  24  11.030  -4.652   1.754
  211    HG   SER  24           HG       SER  24   9.499  -6.357   1.650
  212    H    SER  25           HN       SER  25   7.903  -5.953  -0.035
  213    HA   SER  25           HA       SER  25   7.623  -5.383  -2.922
  214   1HB   SER  25           HB2      SER  25   7.170  -7.874  -3.172
  215   2HB   SER  25           HB3      SER  25   8.833  -7.430  -2.794
  216    HG   SER  25           HG       SER  25   8.697  -8.499  -1.001
  217    H    GLN  26           HN       GLN  26   5.584  -6.417  -3.819
  218    HA   GLN  26           HA       GLN  26   3.279  -5.291  -2.643
  219   1HB   GLN  26           HB2      GLN  26   3.301  -7.582  -4.602
  220   2HB   GLN  26           HB3      GLN  26   2.084  -6.372  -4.376
  221   1HG   GLN  26           HG2      GLN  26   2.998  -5.439  -6.190
  222   2HG   GLN  26           HG3      GLN  26   4.130  -4.773  -5.018
  223   1HE2  GLN  26          HE22      GLN  26   5.957  -6.333  -7.879
  224   2HE2  GLN  26          HE21      GLN  26   4.685  -5.166  -7.754
  225    H    GLY  27           HN       GLY  27   4.267  -8.693  -2.912
  226   1HA   GLY  27           HA1      GLY  27   2.342 -10.065  -1.612
  227   2HA   GLY  27           HA2      GLY  27   4.033 -10.480  -1.459
  228    H    GLU  28           HN       GLU  28   4.810  -8.146   0.083
  229    HA   GLU  28           HA       GLU  28   4.207  -9.070   2.697
  230   1HB   GLU  28           HB2      GLU  28   5.406  -6.410   1.873
  231   2HB   GLU  28           HB3      GLU  28   5.464  -7.122   3.481
  232   1HG   GLU  28           HG2      GLU  28   6.626  -9.112   2.226
  233   2HG   GLU  28           HG3      GLU  28   6.957  -7.878   1.012
  234    H    ILE  29           HN       ILE  29   3.092  -6.222   0.859
  235    HA   ILE  29           HA       ILE  29   1.360  -5.343   2.998
  236    HB   ILE  29           HB       ILE  29   1.861  -3.439   1.995
  237   1HG1  ILE  29          HG12      ILE  29  -0.221  -4.218  -0.040
  238   2HG1  ILE  29          HG13      ILE  29  -0.544  -3.530   1.556
  239   1HG2  ILE  29          HG22      ILE  29   3.472  -4.455   0.468
  240   2HG2  ILE  29          HG23      ILE  29   2.177  -4.750  -0.687
  241   3HG2  ILE  29          HG21      ILE  29   2.627  -3.101  -0.271
  242   1HD1  ILE  29          HD11      ILE  29   1.212  -1.723   0.524
  243   2HD1  ILE  29          HD12      ILE  29   0.336  -2.231  -0.919
  244   3HD1  ILE  29          HD13      ILE  29  -0.545  -1.578   0.464
  245    H    VAL  30           HN       VAL  30   1.100  -7.495   0.341
  246    HA   VAL  30           HA       VAL  30  -1.724  -7.573   0.001
  247    HB   VAL  30           HB       VAL  30   0.343  -9.769  -0.370
  248   1HG1  VAL  30          HG11      VAL  30  -2.547  -9.650  -1.175
  249   2HG1  VAL  30          HG12      VAL  30  -1.386 -10.765  -1.887
  250   3HG1  VAL  30          HG13      VAL  30  -1.748 -10.856  -0.169
  251   1HG2  VAL  30          HG22      VAL  30   0.228  -7.510  -1.801
  252   2HG2  VAL  30          HG23      VAL  30   0.697  -9.056  -2.494
  253   3HG2  VAL  30          HG21      VAL  30  -0.949  -8.468  -2.681
  254    H    ALA  31           HN       ALA  31   0.542  -9.362   2.054
  255    HA   ALA  31           HA       ALA  31  -1.413 -10.928   3.423
  256   1HB   ALA  31           HB2      ALA  31   1.464 -10.280   4.074
  257   2HB   ALA  31           HB3      ALA  31   0.478 -11.426   4.980
  258   3HB   ALA  31           HB1      ALA  31   0.843 -11.726   3.281
  259    H    ALA  32           HN       ALA  32   0.354  -7.944   4.241
  260    HA   ALA  32           HA       ALA  32  -0.447  -7.575   6.845
  261   1HB   ALA  32           HB2      ALA  32   1.235  -6.198   5.800
  262   2HB   ALA  32           HB3      ALA  32   0.018  -5.441   4.772
  263   3HB   ALA  32           HB1      ALA  32  -0.016  -5.184   6.517
  264    H    LEU  33           HN       LEU  33  -2.231  -6.466   3.930
  265    HA   LEU  33           HA       LEU  33  -4.321  -5.282   5.475
  266   1HB   LEU  33           HB2      LEU  33  -4.325  -6.065   2.562
  267   2HB   LEU  33           HB3      LEU  33  -5.586  -5.124   3.360
  268    HG   LEU  33           HG       LEU  33  -2.699  -4.230   3.227
  269   1HD1  LEU  33          HD12      LEU  33  -4.734  -4.172   1.162
  270   2HD1  LEU  33          HD13      LEU  33  -4.150  -2.557   1.576
  271   3HD1  LEU  33          HD11      LEU  33  -3.014  -3.812   1.071
  272   1HD2  LEU  33          HD22      LEU  33  -5.171  -3.178   4.411
  273   2HD2  LEU  33          HD23      LEU  33  -3.484  -2.874   4.827
  274   3HD2  LEU  33          HD21      LEU  33  -4.229  -2.013   3.482
  275    H    GLN  34           HN       GLN  34  -3.739  -8.549   4.339
  276    HA   GLN  34           HA       GLN  34  -6.423  -9.498   4.695
  277   1HB   GLN  34           HB2      GLN  34  -3.761 -10.906   4.528
  278   2HB   GLN  34           HB3      GLN  34  -5.239 -11.779   4.895
  279   1HG   GLN  34           HG2      GLN  34  -6.218 -11.126   2.796
  280   2HG   GLN  34           HG3      GLN  34  -4.839 -10.090   2.436
  281   1HE2  GLN  34          HE22      GLN  34  -3.154 -12.625   0.811
  282   2HE2  GLN  34          HE21      GLN  34  -3.508 -10.943   1.010
  283    H    GLU  35           HN       GLU  35  -3.624  -9.102   6.783
  284    HA   GLU  35           HA       GLU  35  -4.793 -10.396   9.078
  285   1HB   GLU  35           HB2      GLU  35  -2.384  -8.584   8.783
  286   2HB   GLU  35           HB3      GLU  35  -2.849  -9.362  10.291
  287   1HG   GLU  35           HG2      GLU  35  -2.192 -11.435   9.604
  288   2HG   GLU  35           HG3      GLU  35  -2.500 -11.096   7.903
  289    H    GLN  36           HN       GLN  36  -4.683  -7.125   7.790
  290    HA   GLN  36           HA       GLN  36  -5.498  -5.680  10.062
  291   1HB   GLN  36           HB2      GLN  36  -5.716  -5.178   7.110
  292   2HB   GLN  36           HB3      GLN  36  -6.413  -4.056   8.262
  293   1HG   GLN  36           HG2      GLN  36  -3.617  -4.818   8.789
  294   2HG   GLN  36           HG3      GLN  36  -3.879  -3.914   7.304
  295   1HE2  GLN  36          HE22      GLN  36  -4.176  -0.876   8.940
  296   2HE2  GLN  36          HE21      GLN  36  -3.918  -1.767   7.485
  297    H    GLY  37           HN       GLY  37  -7.456  -6.943   7.360
  298   1HA   GLY  37           HA1      GLY  37  -9.580  -7.980   8.631
  299   2HA   GLY  37           HA2      GLY  37  -9.922  -6.260   8.749
  300    H    PHE  38           HN       PHE  38  -8.315  -7.653   5.952
  301    HA   PHE  38           HA       PHE  38 -10.766  -7.144   4.374
  302   1HB   PHE  38           HB2      PHE  38  -7.893  -6.758   3.506
  303   2HB   PHE  38           HB3      PHE  38  -9.322  -6.433   2.527
  304    HD1  PHE  38           HD1      PHE  38 -10.923  -4.663   3.266
  305    HD2  PHE  38           HD2      PHE  38  -7.136  -5.181   5.101
  306    HE1  PHE  38           HE1      PHE  38 -11.076  -2.406   4.240
  307    HE2  PHE  38           HE2      PHE  38  -7.275  -2.946   6.080
  308    HZ   PHE  38           HZ       PHE  38  -9.235  -1.550   5.646
  309    H    ASP  39           HN       ASP  39 -10.998  -8.339   2.404
  310    HA   ASP  39           HA       ASP  39  -9.582 -10.838   2.142
  311   1HB   ASP  39           HB2      ASP  39 -11.780 -11.047   3.598
  312   2HB   ASP  39           HB3      ASP  39 -12.567 -10.934   2.036
  313    H    ASN  40           HN       ASN  40  -9.598 -11.542   0.112
  314    HA   ASN  40           HA       ASN  40  -9.943 -11.678  -2.161
  315   1HB   ASN  40           HB2      ASN  40 -12.299 -10.567  -1.607
  316   2HB   ASN  40           HB3      ASN  40 -11.545  -9.145  -2.320
  317   1HD2  ASN  40          HD22      ASN  40 -11.146 -10.800  -5.523
  318   2HD2  ASN  40          HD21      ASN  40 -10.206  -9.891  -4.396
  319    H    ILE  41           HN       ILE  41  -7.767 -10.742  -0.986
  320    HA   ILE  41           HA       ILE  41  -6.845  -8.548  -2.734
  321    HB   ILE  41           HB       ILE  41  -6.675  -8.798   0.216
  322   1HG1  ILE  41          HG12      ILE  41  -7.683  -6.954  -1.480
  323   2HG1  ILE  41          HG13      ILE  41  -7.160  -6.575   0.160
  324   1HG2  ILE  41          HG21      ILE  41  -4.254  -7.996  -1.385
  325   2HG2  ILE  41          HG22      ILE  41  -4.523  -7.478   0.280
  326   3HG2  ILE  41          HG23      ILE  41  -4.368  -9.194  -0.091
  327   1HD1  ILE  41          HD13      ILE  41  -5.277  -6.374  -2.157
  328   2HD1  ILE  41          HD11      ILE  41  -6.373  -5.061  -1.735
  329   3HD1  ILE  41          HD12      ILE  41  -5.174  -5.615  -0.570
  330    H    ASN  42           HN       ASN  42  -5.101  -9.048  -3.913
  331    HA   ASN  42           HA       ASN  42  -3.330 -11.235  -3.102
  332   1HB   ASN  42           HB2      ASN  42  -3.391 -12.167  -5.451
  333   2HB   ASN  42           HB3      ASN  42  -4.859 -12.413  -4.519
  334   1HD2  ASN  42          HD22      ASN  42  -6.722 -11.242  -7.183
  335   2HD2  ASN  42          HD21      ASN  42  -6.414 -12.467  -6.003
  336    H    GLN  43           HN       GLN  43  -1.550 -11.396  -5.019
  337    HA   GLN  43           HA       GLN  43   0.062  -9.148  -4.764
  338   1HB   GLN  43           HB2      GLN  43   0.759 -11.499  -5.402
  339   2HB   GLN  43           HB3      GLN  43   0.241 -11.132  -7.041
  340   1HG   GLN  43           HG2      GLN  43   2.202 -10.208  -7.487
  341   2HG   GLN  43           HG3      GLN  43   1.970  -9.041  -6.190
  342   1HE2  GLN  43          HE22      GLN  43   4.499 -12.172  -5.738
  343   2HE2  GLN  43          HE21      GLN  43   3.487 -12.010  -7.130
  344    H    SER  44           HN       SER  44  -2.003 -10.069  -7.526
  345    HA   SER  44           HA       SER  44  -1.301  -8.002  -9.247
  346   1HB   SER  44           HB2      SER  44  -4.084  -9.003  -9.288
  347   2HB   SER  44           HB3      SER  44  -2.962  -8.766 -10.605
  348    HG   SER  44           HG       SER  44  -1.824 -10.631  -9.879
  349    H    LYS  45           HN       LYS  45  -4.030  -8.127  -6.960
  350    HA   LYS  45           HA       LYS  45  -5.075  -5.583  -7.530
  351   1HB   LYS  45           HB2      LYS  45  -5.975  -7.580  -6.045
  352   2HB   LYS  45           HB3      LYS  45  -5.228  -6.676  -4.738
  353   1HG   LYS  45           HG2      LYS  45  -6.830  -5.095  -4.749
  354   2HG   LYS  45           HG3      LYS  45  -6.925  -5.065  -6.512
  355   1HD   LYS  45           HD2      LYS  45  -8.315  -7.020  -6.551
  356   2HD   LYS  45           HD3      LYS  45  -8.088  -7.279  -4.821
  357   1HE   LYS  45           HE2      LYS  45 -10.293  -6.268  -5.472
  358   2HE   LYS  45           HE3      LYS  45  -9.376  -5.355  -4.270
  359   1HZ   LYS  45           HZ2      LYS  45  -9.086  -4.686  -7.128
  360   2HZ   LYS  45           HZ1      LYS  45 -10.467  -4.155  -6.280
  361   3HZ   LYS  45           HZ3      LYS  45  -8.915  -3.685  -5.758
  362    H    VAL  46           HN       VAL  46  -2.531  -6.571  -5.315
  363    HA   VAL  46           HA       VAL  46  -2.191  -4.018  -4.060
  364    HB   VAL  46           HB       VAL  46  -0.625  -6.577  -4.045
  365   1HG1  VAL  46          HG11      VAL  46   1.034  -4.755  -3.930
  366   2HG1  VAL  46          HG12      VAL  46   0.152  -4.066  -2.567
  367   3HG1  VAL  46          HG13      VAL  46   0.911  -5.644  -2.426
  368   1HG2  VAL  46          HG23      VAL  46  -2.532  -5.153  -2.288
  369   2HG2  VAL  46          HG21      VAL  46  -2.307  -6.877  -2.546
  370   3HG2  VAL  46          HG22      VAL  46  -1.213  -5.992  -1.487
  371    H    SER  47           HN       SER  47  -0.552  -5.718  -6.737
  372    HA   SER  47           HA       SER  47   1.399  -3.679  -7.184
  373   1HB   SER  47           HB2      SER  47   1.182  -6.223  -8.056
  374   2HB   SER  47           HB3      SER  47   0.564  -5.388  -9.476
  375    HG   SER  47           HG       SER  47   2.938  -5.813  -9.278
  376    H    ARG  48           HN       ARG  48  -1.891  -4.207  -8.303
  377    HA   ARG  48           HA       ARG  48  -1.859  -2.193 -10.351
  378   1HB   ARG  48           HB2      ARG  48  -4.041  -3.723  -8.949
  379   2HB   ARG  48           HB3      ARG  48  -4.430  -2.387 -10.027
  380   1HG   ARG  48           HG2      ARG  48  -3.418  -3.484 -11.884
  381   2HG   ARG  48           HG3      ARG  48  -2.754  -4.746 -10.846
  382   1HD   ARG  48           HD2      ARG  48  -4.675  -5.903 -10.799
  383   2HD   ARG  48           HD3      ARG  48  -5.664  -4.448 -10.640
  384    HE   ARG  48           HE       ARG  48  -4.765  -4.412 -13.240
  385   1HH1  ARG  48          HH12      ARG  48  -6.602  -6.665 -11.270
  386   2HH1  ARG  48          HH11      ARG  48  -7.491  -7.308 -12.627
  387   1HH2  ARG  48          HH22      ARG  48  -5.923  -5.246 -14.991
  388   2HH2  ARG  48          HH21      ARG  48  -7.106  -6.496 -14.751
  389    H    MET  49           HN       MET  49  -2.910  -2.293  -6.946
  390    HA   MET  49           HA       MET  49  -3.822   0.389  -6.800
  391   1HB   MET  49           HB2      MET  49  -2.921  -1.613  -4.741
  392   2HB   MET  49           HB3      MET  49  -3.295   0.044  -4.280
  393   1HG   MET  49           HG2      MET  49  -5.532  -0.165  -4.790
  394   2HG   MET  49           HG3      MET  49  -5.267  -1.539  -5.858
  395   1HE   MET  49           HE1      MET  49  -5.076  -0.257  -2.243
  396   2HE   MET  49           HE2      MET  49  -6.779  -0.659  -2.450
  397   3HE   MET  49           HE3      MET  49  -5.785  -1.579  -1.319
  398    H    LEU  50           HN       LEU  50  -0.645  -1.095  -6.390
  399    HA   LEU  50           HA       LEU  50   0.755   1.136  -5.382
  400   1HB   LEU  50           HB2      LEU  50   1.528  -1.389  -6.802
  401   2HB   LEU  50           HB3      LEU  50   2.731  -0.113  -6.663
  402    HG   LEU  50           HG       LEU  50   1.271  -1.022  -4.223
  403   1HD1  LEU  50          HD12      LEU  50   3.483  -2.486  -5.620
  404   2HD1  LEU  50          HD13      LEU  50   3.247  -2.615  -3.878
  405   3HD1  LEU  50          HD11      LEU  50   1.975  -3.128  -4.981
  406   1HD2  LEU  50          HD23      LEU  50   3.853   0.327  -4.816
  407   2HD2  LEU  50          HD21      LEU  50   2.559   0.791  -3.707
  408   3HD2  LEU  50          HD22      LEU  50   3.630  -0.547  -3.304
  409    H    THR  51           HN       THR  51   0.259   0.014  -8.727
  410    HA   THR  51           HA       THR  51   1.666   2.181  -9.954
  411    HB   THR  51           HB       THR  51  -0.423   0.388 -11.225
  412    HG1  THR  51           HG1      THR  51   1.026  -1.025 -10.393
  413   1HG2  THR  51          HG23      THR  51   1.836   2.011 -12.343
  414   2HG2  THR  51          HG22      THR  51   1.150   0.637 -13.208
  415   3HG2  THR  51          HG21      THR  51   0.134   2.018 -12.801
  416    H    LYS  52           HN       LYS  52  -1.710   1.566  -9.138
  417    HA   LYS  52           HA       LYS  52  -2.886   3.720 -10.537
  418   1HB   LYS  52           HB2      LYS  52  -4.163   1.802  -9.700
  419   2HB   LYS  52           HB3      LYS  52  -3.819   2.267  -8.039
  420   1HG   LYS  52           HG2      LYS  52  -5.115   4.359  -9.646
  421   2HG   LYS  52           HG3      LYS  52  -6.077   2.900  -9.422
  422   1HD   LYS  52           HD2      LYS  52  -5.692   3.085  -6.966
  423   2HD   LYS  52           HD3      LYS  52  -4.865   4.616  -7.249
  424   1HE   LYS  52           HE2      LYS  52  -7.196   4.950  -6.557
  425   2HE   LYS  52           HE3      LYS  52  -6.898   5.574  -8.179
  426   1HZ   LYS  52           HZ1      LYS  52  -7.924   2.833  -7.854
  427   2HZ   LYS  52           HZ3      LYS  52  -8.990   4.154  -7.698
  428   3HZ   LYS  52           HZ2      LYS  52  -8.128   3.921  -9.154
  429    H    PHE  53           HN       PHE  53  -2.049   3.412  -7.080
  430    HA   PHE  53           HA       PHE  53  -2.673   6.116  -6.437
  431   1HB   PHE  53           HB2      PHE  53  -1.161   3.941  -4.987
  432   2HB   PHE  53           HB3      PHE  53  -1.375   5.545  -4.302
  433    HD1  PHE  53           HD1      PHE  53  -4.053   6.313  -4.763
  434    HD2  PHE  53           HD2      PHE  53  -2.549   2.409  -3.957
  435    HE1  PHE  53           HE1      PHE  53  -6.235   5.657  -3.844
  436    HE2  PHE  53           HE2      PHE  53  -4.712   1.758  -3.030
  437    HZ   PHE  53           HZ       PHE  53  -6.569   3.375  -2.981
  438    H    GLY  54           HN       GLY  54   0.261   4.512  -7.506
  439   1HA   GLY  54           HA1      GLY  54   2.099   5.571  -8.504
  440   2HA   GLY  54           HA2      GLY  54   1.547   7.111  -7.866
  441    H    ALA  55           HN       ALA  55   2.413   3.974  -6.403
  442    HA   ALA  55           HA       ALA  55   3.818   5.290  -4.225
  443   1HB   ALA  55           HB1      ALA  55   3.363   2.389  -4.885
  444   2HB   ALA  55           HB2      ALA  55   4.258   2.948  -3.470
  445   3HB   ALA  55           HB3      ALA  55   2.550   3.353  -3.650
  446    H    VAL  56           HN       VAL  56   6.001   5.421  -3.960
  447    HA   VAL  56           HA       VAL  56   7.701   4.536  -6.214
  448    HB   VAL  56           HB       VAL  56   9.226   6.331  -5.664
  449   1HG1  VAL  56          HG13      VAL  56   6.372   7.306  -5.788
  450   2HG1  VAL  56          HG11      VAL  56   7.797   8.279  -6.145
  451   3HG1  VAL  56          HG12      VAL  56   7.401   6.889  -7.158
  452   1HG2  VAL  56          HG22      VAL  56   7.450   6.729  -3.276
  453   2HG2  VAL  56          HG23      VAL  56   9.207   6.596  -3.352
  454   3HG2  VAL  56          HG21      VAL  56   8.411   8.060  -3.924
  455    H    ARG  57           HN       ARG  57   9.663   3.511  -5.794
  456    HA   ARG  57           HA       ARG  57   9.927   2.338  -3.104
  457   1HB   ARG  57           HB2      ARG  57  11.139   1.505  -5.739
  458   2HB   ARG  57           HB3      ARG  57  11.491   0.736  -4.201
  459   1HG   ARG  57           HG2      ARG  57   9.047   0.213  -4.002
  460   2HG   ARG  57           HG3      ARG  57   8.856   0.800  -5.656
  461   1HD   ARG  57           HD2      ARG  57   9.082  -1.573  -5.775
  462   2HD   ARG  57           HD3      ARG  57  10.586  -0.862  -6.357
  463    HE   ARG  57           HE       ARG  57  10.484  -1.653  -3.549
  464   1HH1  ARG  57          HH12      ARG  57  11.532  -2.448  -6.810
  465   2HH1  ARG  57          HH11      ARG  57  12.694  -3.622  -6.272
  466   1HH2  ARG  57          HH22      ARG  57  12.026  -3.191  -2.859
  467   2HH2  ARG  57          HH21      ARG  57  12.980  -4.040  -4.041
  468    H    THR  58           HN       THR  58  11.730   2.656  -1.880
  469    HA   THR  58           HA       THR  58  14.120   3.877  -2.964
  470    HB   THR  58           HB       THR  58  12.467   5.793  -2.645
  471    HG1  THR  58           HG1      THR  58  14.207   6.922  -2.472
  472   1HG2  THR  58          HG21      THR  58  11.672   4.830  -0.367
  473   2HG2  THR  58          HG23      THR  58  13.071   5.691   0.272
  474   3HG2  THR  58          HG22      THR  58  11.814   6.570  -0.594
  475    H    ARG  59           HN       ARG  59  15.632   4.531  -1.053
  476    HA   ARG  59           HA       ARG  59  15.837   2.214   0.684
  477   1HB   ARG  59           HB2      ARG  59  17.650   4.273  -0.343
  478   2HB   ARG  59           HB3      ARG  59  17.881   3.993   1.373
  479   1HG   ARG  59           HG2      ARG  59  17.798   1.439   0.451
  480   2HG   ARG  59           HG3      ARG  59  18.505   2.273  -0.930
  481   1HD   ARG  59           HD2      ARG  59  19.652   3.042   1.661
  482   2HD   ARG  59           HD3      ARG  59  19.885   1.348   1.245
  483    HE   ARG  59           HE       ARG  59  20.693   2.485  -1.008
  484   1HH1  ARG  59          HH12      ARG  59  21.435   3.321   2.322
  485   2HH1  ARG  59          HH11      ARG  59  23.020   3.934   1.951
  486   1HH2  ARG  59          HH22      ARG  59  22.764   3.313  -1.501
  487   2HH2  ARG  59          HH21      ARG  59  23.774   3.936  -0.222
  488    H    ASN  60           HN       ASN  60  15.147   2.164   2.747
  489    HA   ASN  60           HA       ASN  60  14.060   4.594   3.938
  490   1HB   ASN  60           HB2      ASN  60  12.901   3.198   5.482
  491   2HB   ASN  60           HB3      ASN  60  12.763   2.438   3.906
  492   1HD2  ASN  60          HD22      ASN  60  13.409  -0.243   6.285
  493   2HD2  ASN  60          HD21      ASN  60  12.162   0.900   5.926
  494    H    ALA  61           HN       ALA  61  14.288   4.122   6.623
  495    HA   ALA  61           HA       ALA  61  16.673   5.338   7.299
  496   1HB   ALA  61           HB1      ALA  61  14.715   5.364   8.744
  497   2HB   ALA  61           HB2      ALA  61  14.918   3.645   9.082
  498   3HB   ALA  61           HB3      ALA  61  16.130   4.801   9.631
  499    H    LYS  62           HN       LYS  62  16.013   1.860   7.138
  500    HA   LYS  62           HA       LYS  62  18.744   1.310   8.095
  501   1HB   LYS  62           HB2      LYS  62  16.434  -0.616   7.812
  502   2HB   LYS  62           HB3      LYS  62  18.030  -0.977   8.468
  503   1HG   LYS  62           HG2      LYS  62  17.488   0.941  10.148
  504   2HG   LYS  62           HG3      LYS  62  15.818   0.653   9.656
  505   1HD   LYS  62           HD2      LYS  62  16.534  -1.873  10.139
  506   2HD   LYS  62           HD3      LYS  62  17.674  -1.063  11.218
  507   1HE   LYS  62           HE2      LYS  62  15.797  -1.462  12.564
  508   2HE   LYS  62           HE3      LYS  62  15.648   0.230  12.103
  509   1HZ   LYS  62           HZ1      LYS  62  14.275  -1.967  10.649
  510   2HZ   LYS  62           HZ3      LYS  62  13.560  -1.112  11.938
  511   3HZ   LYS  62           HZ2      LYS  62  13.996  -0.290  10.512
  512    H    MET  63           HN       MET  63  18.067   2.210   5.349
  513    HA   MET  63           HA       MET  63  18.867   1.863   3.265
  514   1HB   MET  63           HB2      MET  63  20.455  -0.522   4.152
  515   2HB   MET  63           HB3      MET  63  20.898   0.757   3.041
  516   1HG   MET  63           HG2      MET  63  20.761   2.234   5.217
  517   2HG   MET  63           HG3      MET  63  21.046   0.676   5.989
  518   1HE   MET  63           HE3      MET  63  23.046  -0.821   5.608
  519   2HE   MET  63           HE1      MET  63  23.001  -0.819   3.843
  520   3HE   MET  63           HE2      MET  63  24.491  -0.408   4.686
  521    H    GLU  64           HN       GLU  64  16.463   0.245   4.179
  522    HA   GLU  64           HA       GLU  64  16.638  -2.094   2.418
  523   1HB   GLU  64           HB2      GLU  64  14.236  -1.227   4.039
  524   2HB   GLU  64           HB3      GLU  64  14.568  -2.814   3.358
  525   1HG   GLU  64           HG2      GLU  64  16.598  -2.867   4.907
  526   2HG   GLU  64           HG3      GLU  64  15.864  -1.489   5.722
  527    H    MET  65           HN       MET  65  15.727  -2.205   0.428
  528    HA   MET  65           HA       MET  65  14.671   0.197  -0.796
  529   1HB   MET  65           HB2      MET  65  15.110  -2.610  -1.835
  530   2HB   MET  65           HB3      MET  65  14.482  -1.299  -2.823
  531   1HG   MET  65           HG2      MET  65  16.860  -0.370  -1.582
  532   2HG   MET  65           HG3      MET  65  17.184  -1.968  -2.244
  533   1HE   MET  65           HE1      MET  65  16.212   1.699  -2.930
  534   2HE   MET  65           HE2      MET  65  15.893   1.733  -4.664
  535   3HE   MET  65           HE3      MET  65  14.758   0.939  -3.571
  536    H    VAL  66           HN       VAL  66  12.685   0.602   0.241
  537    HA   VAL  66           HA       VAL  66  10.568  -1.368  -0.302
  538    HB   VAL  66           HB       VAL  66   9.466  -0.772   1.790
  539   1HG1  VAL  66          HG13      VAL  66  11.426  -2.499   1.609
  540   2HG1  VAL  66          HG11      VAL  66  12.299  -1.323   2.591
  541   3HG1  VAL  66          HG12      VAL  66  10.805  -2.036   3.197
  542   1HG2  VAL  66          HG23      VAL  66  11.557   1.329   1.855
  543   2HG2  VAL  66          HG21      VAL  66   9.897   1.353   2.450
  544   3HG2  VAL  66          HG22      VAL  66  11.160   0.564   3.394
  545    H    TYR  67           HN       TYR  67   8.402  -0.572  -0.255
  546    HA   TYR  67           HA       TYR  67   7.986   1.597  -2.059
  547   1HB   TYR  67           HB2      TYR  67   6.213  -0.341  -0.579
  548   2HB   TYR  67           HB3      TYR  67   5.500   1.031  -1.411
  549    HD1  TYR  67           HD2      TYR  67   6.601   1.292  -3.925
  550    HD2  TYR  67           HD1      TYR  67   6.006  -2.320  -1.744
  551    HE1  TYR  67           HE2      TYR  67   6.515   0.045  -6.038
  552    HE2  TYR  67           HE1      TYR  67   5.894  -3.590  -3.860
  553    HH   TYR  67           HH       TYR  67   6.684  -2.094  -6.943
  554    H    CYS  68           HN       CYS  68   6.895   3.518  -1.696
  555    HA   CYS  68           HA       CYS  68   5.857   4.211   0.892
  556   1HB   CYS  68           HB2      CYS  68   7.221   6.363   0.999
  557   2HB   CYS  68           HB3      CYS  68   8.073   4.884   1.412
  558    HG   CYS  68           HG       CYS  68   8.494   5.767  -1.479
  559    H    LEU  69           HN       LEU  69   4.699   6.242   0.851
  560    HA   LEU  69           HA       LEU  69   3.545   6.677  -1.807
  561   1HB   LEU  69           HB2      LEU  69   2.277   6.104   0.460
  562   2HB   LEU  69           HB3      LEU  69   2.323   7.848   0.639
  563    HG   LEU  69           HG       LEU  69   1.256   8.011  -1.644
  564   1HD1  LEU  69          HD12      LEU  69   1.792   5.246  -1.671
  565   2HD1  LEU  69          HD13      LEU  69   0.038   5.411  -1.567
  566   3HD1  LEU  69          HD11      LEU  69   0.920   6.195  -2.878
  567   1HD2  LEU  69          HD21      LEU  69  -0.249   6.612   0.568
  568   2HD2  LEU  69          HD22      LEU  69  -0.001   8.351   0.407
  569   3HD2  LEU  69          HD23      LEU  69  -0.986   7.490  -0.775
  570    HA   PRO  70           HA       PRO  70   5.530  10.770  -1.975
  571   1HB   PRO  70           HB2      PRO  70   3.730  11.161  -4.286
  572   2HB   PRO  70           HB3      PRO  70   5.491  11.228  -4.210
  573   1HG   PRO  70           HG2      PRO  70   4.233   9.210  -5.419
  574   2HG   PRO  70           HG3      PRO  70   5.711   8.937  -4.480
  575   1HD   PRO  70           HD2      PRO  70   2.846   8.484  -3.676
  576   2HD   PRO  70           HD3      PRO  70   4.259   7.418  -3.476
  577    H    ALA  71           HN       ALA  71   4.038  12.897  -3.077
  578    HA   ALA  71           HA       ALA  71   2.392  13.728  -0.885
  579   1HB   ALA  71           HB3      ALA  71   2.818  14.876  -3.645
  580   2HB   ALA  71           HB1      ALA  71   1.776  15.626  -2.432
  581   3HB   ALA  71           HB2      ALA  71   3.502  15.437  -2.118
  582    H    GLU  72           HN       GLU  72   0.526  12.686  -0.494
  583    HA   GLU  72           HA       GLU  72  -0.905  10.891  -1.668
  584   1HB   GLU  72           HB2      GLU  72  -1.860  13.217  -0.075
  585   2HB   GLU  72           HB3      GLU  72  -3.074  12.191  -0.819
  586   1HG   GLU  72           HG2      GLU  72  -2.849  11.207   1.240
  587   2HG   GLU  72           HG3      GLU  72  -1.755  10.238   0.258
  588    H    LEU  73           HN       LEU  73  -1.108  10.656  -3.802
  589    HA   LEU  73           HA       LEU  73  -2.176  12.713  -5.524
  590   1HB   LEU  73           HB2      LEU  73  -1.109   9.926  -5.899
  591   2HB   LEU  73           HB3      LEU  73  -2.009  10.686  -7.197
  592    HG   LEU  73           HG       LEU  73   0.194  12.300  -6.060
  593   1HD1  LEU  73          HD12      LEU  73   0.720   9.802  -7.664
  594   2HD1  LEU  73          HD13      LEU  73   1.894  11.086  -7.370
  595   3HD1  LEU  73          HD11      LEU  73   1.265  10.140  -6.020
  596   1HD2  LEU  73          HD21      LEU  73  -1.151  13.060  -7.946
  597   2HD2  LEU  73          HD22      LEU  73   0.539  12.842  -8.404
  598   3HD2  LEU  73          HD23      LEU  73  -0.664  11.640  -8.874
  599    H    GLY  74           HN       GLY  74  -4.281  12.944  -4.527
  600   1HA   GLY  74           HA1      GLY  74  -6.401  11.836  -5.835
  601   2HA   GLY  74           HA2      GLY  74  -6.139  10.732  -4.491
  602    H    VAL  75           HN       VAL  75  -7.433  11.136  -2.823
  603    HA   VAL  75           HA       VAL  75  -7.790  13.862  -1.864
  604    HB   VAL  75           HB       VAL  75  -9.618  13.758  -3.387
  605   1HG1  VAL  75          HG21      VAL  75  -9.721  10.996  -2.736
  606   2HG1  VAL  75          HG22      VAL  75 -11.289  11.703  -2.356
  607   3HG1  VAL  75          HG23      VAL  75 -10.618  11.866  -3.978
  608   1HG2  VAL  75          HG11      VAL  75  -9.926  14.556  -0.923
  609   2HG2  VAL  75          HG12      VAL  75 -11.316  14.440  -2.000
  610   3HG2  VAL  75          HG13      VAL  75 -11.011  13.169  -0.819
  611    HA   PRO  76           HA       PRO  76  -7.475  10.906   1.619
  612   1HB   PRO  76           HB2      PRO  76  -5.462  12.110   2.913
  613   2HB   PRO  76           HB3      PRO  76  -5.173  11.171   1.449
  614   1HG   PRO  76           HG2      PRO  76  -5.272  14.130   1.814
  615   2HG   PRO  76           HG3      PRO  76  -4.242  13.170   0.742
  616   1HD   PRO  76           HD2      PRO  76  -6.609  14.510   0.024
  617   2HD   PRO  76           HD3      PRO  76  -5.748  13.306  -0.955
  618    H    THR  77           HN       THR  77  -9.684  12.080   1.879
  619    HA   THR  77           HA       THR  77  -9.719  13.272   4.499
  620    HB   THR  77           HB       THR  77  -9.323  15.216   2.885
  621    HG1  THR  77           HG1      THR  77 -10.377  15.343   5.017
  622   1HG2  THR  77          HG21      THR  77 -11.025  14.332   1.151
  623   2HG2  THR  77          HG23      THR  77 -12.225  15.117   2.182
  624   3HG2  THR  77          HG22      THR  77 -10.920  16.064   1.467
  625    H    THR  78           HN       THR  78 -12.360  14.223   4.452
  626    HA   THR  78           HA       THR  78 -13.958  11.866   3.677
  627    HB   THR  78           HB       THR  78 -15.186  12.159   5.867
  628    HG1  THR  78           HG1      THR  78 -13.802  14.352   6.021
  629   1HG2  THR  78          HG22      THR  78 -13.449  10.419   5.621
  630   2HG2  THR  78          HG21      THR  78 -12.260  11.565   6.239
  631   3HG2  THR  78          HG23      THR  78 -13.596  11.043   7.264
   
  No H/Q in entry =         631
  Start of MODEL   19
    1   1H    MET   1           HT2      MET   1 -11.182  -0.544  14.113
    2   2H    MET   1           HT1      MET   1  -9.682  -1.048  14.787
    3   3H    MET   1           HT3      MET   1  -9.704  -0.004  13.421
    4    HA   MET   1           HA       MET   1 -10.428  -1.638  12.015
    5   1HB   MET   1           HB2      MET   1  -8.484  -2.821  14.020
    6   2HB   MET   1           HB3      MET   1  -8.797  -3.510  12.437
    7   1HG   MET   1           HG2      MET   1  -6.928  -2.318  11.963
    8   2HG   MET   1           HG3      MET   1  -8.148  -1.096  11.611
    9   1HE   MET   1           HE1      MET   1  -6.376   0.669  11.643
   10   2HE   MET   1           HE2      MET   1  -5.501   1.248  13.062
   11   3HE   MET   1           HE3      MET   1  -4.993  -0.236  12.258
   12    H    ARG   2           HN       ARG   2 -10.801  -4.120  11.851
   13    HA   ARG   2           HA       ARG   2 -12.137  -5.921  12.176
   14   1HB   ARG   2           HB2      ARG   2 -12.355  -5.115  15.084
   15   2HB   ARG   2           HB3      ARG   2 -12.697  -6.688  14.389
   16   1HG   ARG   2           HG2      ARG   2 -10.008  -5.359  14.631
   17   2HG   ARG   2           HG3      ARG   2 -10.590  -6.783  15.496
   18   1HD   ARG   2           HD2      ARG   2 -10.837  -7.904  13.248
   19   2HD   ARG   2           HD3      ARG   2  -9.958  -6.536  12.557
   20    HE   ARG   2           HE       ARG   2  -8.482  -7.576  14.716
   21   1HH1  ARG   2          HH12      ARG   2  -9.433  -8.440  11.455
   22   2HH1  ARG   2          HH11      ARG   2  -8.031  -9.442  11.179
   23   1HH2  ARG   2          HH22      ARG   2  -6.667  -8.871  14.373
   24   2HH2  ARG   2          HH21      ARG   2  -6.447  -9.687  12.847
   25    H    SER   3           HN       SER   3 -13.392  -4.166  10.908
   26    HA   SER   3           HA       SER   3 -16.127  -4.508  11.479
   27   1HB   SER   3           HB2      SER   3 -16.468  -1.835  11.577
   28   2HB   SER   3           HB3      SER   3 -16.319  -2.824  13.026
   29    HG   SER   3           HG       SER   3 -14.499  -1.883  13.479
   30    H    SER   4           HN       SER   4 -15.544  -5.326   9.336
   31    HA   SER   4           HA       SER   4 -14.849  -3.477   7.244
   32   1HB   SER   4           HB2      SER   4 -15.769  -6.354   6.986
   33   2HB   SER   4           HB3      SER   4 -14.893  -5.408   5.783
   34    HG   SER   4           HG       SER   4 -13.939  -6.207   8.347
   35    H    ALA   5           HN       ALA   5 -16.328  -2.021   6.698
   36    HA   ALA   5           HA       ALA   5 -18.867  -2.921   5.549
   37   1HB   ALA   5           HB1      ALA   5 -18.710  -0.862   7.754
   38   2HB   ALA   5           HB2      ALA   5 -20.118  -1.100   6.720
   39   3HB   ALA   5           HB3      ALA   5 -19.573  -2.399   7.780
   40    H    LYS   6           HN       LYS   6 -16.562  -0.335   6.162
   41    HA   LYS   6           HA       LYS   6 -17.379   1.118   3.733
   42   1HB   LYS   6           HB2      LYS   6 -15.385   1.985   5.821
   43   2HB   LYS   6           HB3      LYS   6 -16.135   2.971   4.572
   44   1HG   LYS   6           HG2      LYS   6 -17.579   1.724   6.904
   45   2HG   LYS   6           HG3      LYS   6 -17.047   3.391   6.781
   46   1HD   LYS   6           HD2      LYS   6 -18.479   3.682   4.783
   47   2HD   LYS   6           HD3      LYS   6 -19.079   2.040   5.011
   48   1HE   LYS   6           HE2      LYS   6 -20.476   4.019   5.939
   49   2HE   LYS   6           HE3      LYS   6 -20.244   2.596   6.954
   50   1HZ   LYS   6           HZ1      LYS   6 -18.305   4.782   7.172
   51   2HZ   LYS   6           HZ3      LYS   6 -19.841   5.011   7.865
   52   3HZ   LYS   6           HZ2      LYS   6 -18.863   3.704   8.367
   53    H    GLN   7           HN       GLN   7 -16.175   0.728   1.902
   54    HA   GLN   7           HA       GLN   7 -13.642  -0.682   2.218
   55   1HB   GLN   7           HB2      GLN   7 -15.615  -0.535   0.092
   56   2HB   GLN   7           HB3      GLN   7 -13.970  -0.353  -0.507
   57   1HG   GLN   7           HG2      GLN   7 -14.229  -2.432   1.510
   58   2HG   GLN   7           HG3      GLN   7 -15.244  -2.730   0.098
   59   1HE2  GLN   7          HE22      GLN   7 -11.838  -4.260  -0.288
   60   2HE2  GLN   7          HE21      GLN   7 -13.035  -4.311   0.955
   61    H    GLU   8           HN       GLU   8 -14.362   2.420   2.407
   62    HA   GLU   8           HA       GLU   8 -12.189   3.563   0.880
   63   1HB   GLU   8           HB2      GLU   8 -12.574   5.536   2.401
   64   2HB   GLU   8           HB3      GLU   8 -13.975   5.046   1.465
   65   1HG   GLU   8           HG2      GLU   8 -15.195   4.627   3.287
   66   2HG   GLU   8           HG3      GLU   8 -13.892   3.730   4.060
   67    H    GLU   9           HN       GLU   9 -12.225   1.319   3.187
   68    HA   GLU   9           HA       GLU   9 -10.050   2.354   4.875
   69   1HB   GLU   9           HB2      GLU   9 -11.794  -0.106   5.122
   70   2HB   GLU   9           HB3      GLU   9 -10.413   0.217   6.166
   71   1HG   GLU   9           HG2      GLU   9 -11.490   2.388   6.785
   72   2HG   GLU   9           HG3      GLU   9 -12.919   1.866   5.897
   73    H    LEU  10           HN       LEU  10 -10.753   0.063   2.324
   74    HA   LEU  10           HA       LEU  10  -8.301  -1.395   2.414
   75   1HB   LEU  10           HB2      LEU  10 -10.196  -2.231   1.120
   76   2HB   LEU  10           HB3      LEU  10 -10.154  -0.813   0.090
   77    HG   LEU  10           HG       LEU  10  -8.008  -1.509  -0.842
   78   1HD1  LEU  10          HD11      LEU  10  -8.128  -3.537   1.331
   79   2HD1  LEU  10          HD12      LEU  10  -7.336  -3.959  -0.185
   80   3HD1  LEU  10          HD13      LEU  10  -6.766  -2.581   0.751
   81   1HD2  LEU  10          HD22      LEU  10 -10.097  -2.406  -1.826
   82   2HD2  LEU  10          HD23      LEU  10  -8.703  -3.461  -2.060
   83   3HD2  LEU  10          HD21      LEU  10  -9.904  -3.847  -0.828
   84    H    VAL  11           HN       VAL  11  -9.350   1.671   1.086
   85    HA   VAL  11           HA       VAL  11  -6.865   2.207  -0.308
   86    HB   VAL  11           HB       VAL  11  -9.177   4.039   0.400
   87   1HG1  VAL  11          HG11      VAL  11  -6.539   4.625  -0.810
   88   2HG1  VAL  11          HG12      VAL  11  -7.939   5.328  -1.620
   89   3HG1  VAL  11          HG13      VAL  11  -7.643   5.670   0.083
   90   1HG2  VAL  11          HG21      VAL  11  -8.643   2.201  -1.819
   91   2HG2  VAL  11          HG22      VAL  11 -10.160   2.907  -1.262
   92   3HG2  VAL  11          HG23      VAL  11  -9.098   3.827  -2.326
   93    H    LYS  12           HN       LYS  12  -8.447   3.614   2.614
   94    HA   LYS  12           HA       LYS  12  -6.336   5.215   3.440
   95   1HB   LYS  12           HB2      LYS  12  -8.150   5.796   4.632
   96   2HB   LYS  12           HB3      LYS  12  -8.769   4.157   4.694
   97   1HG   LYS  12           HG2      LYS  12  -6.448   5.027   6.388
   98   2HG   LYS  12           HG3      LYS  12  -8.126   5.259   6.886
   99   1HD   LYS  12           HD2      LYS  12  -7.865   2.614   5.926
  100   2HD   LYS  12           HD3      LYS  12  -6.535   2.899   7.043
  101   1HE   LYS  12           HE2      LYS  12  -9.461   3.347   7.622
  102   2HE   LYS  12           HE3      LYS  12  -8.491   1.998   8.206
  103   1HZ   LYS  12           HZ2      LYS  12  -7.045   4.053   9.094
  104   2HZ   LYS  12           HZ1      LYS  12  -8.602   4.754   9.134
  105   3HZ   LYS  12           HZ3      LYS  12  -8.290   3.320   9.998
  106    H    ALA  13           HN       ALA  13  -6.846   1.787   4.045
  107    HA   ALA  13           HA       ALA  13  -4.676   1.460   5.878
  108   1HB   ALA  13           HB3      ALA  13  -6.480  -0.178   5.778
  109   2HB   ALA  13           HB1      ALA  13  -6.043  -0.585   4.119
  110   3HB   ALA  13           HB2      ALA  13  -4.931  -0.947   5.438
  111    H    PHE  14           HN       PHE  14  -5.060   0.920   2.374
  112    HA   PHE  14           HA       PHE  14  -2.506  -0.014   1.778
  113   1HB   PHE  14           HB2      PHE  14  -4.538   0.104   0.233
  114   2HB   PHE  14           HB3      PHE  14  -4.116   1.774  -0.058
  115    HD1  PHE  14           HD1      PHE  14  -3.018  -1.732  -0.490
  116    HD2  PHE  14           HD2      PHE  14  -2.326   2.356  -1.498
  117    HE1  PHE  14           HE1      PHE  14  -1.475  -2.419  -2.256
  118    HE2  PHE  14           HE2      PHE  14  -0.780   1.652  -3.275
  119    HZ   PHE  14           HZ       PHE  14  -0.360  -0.731  -3.625
  120    H    LYS  15           HN       LYS  15  -3.658   3.388   1.913
  121    HA   LYS  15           HA       LYS  15  -1.242   4.610   1.121
  122   1HB   LYS  15           HB2      LYS  15  -3.195   5.757   3.166
  123   2HB   LYS  15           HB3      LYS  15  -2.043   6.662   2.201
  124   1HG   LYS  15           HG2      LYS  15  -4.520   5.280   1.215
  125   2HG   LYS  15           HG3      LYS  15  -4.265   7.009   1.388
  126   1HD   LYS  15           HD2      LYS  15  -2.199   6.439  -0.210
  127   2HD   LYS  15           HD3      LYS  15  -3.264   5.119  -0.664
  128   1HE   LYS  15           HE2      LYS  15  -3.501   7.063  -2.158
  129   2HE   LYS  15           HE3      LYS  15  -5.000   6.660  -1.315
  130   1HZ   LYS  15           HZ1      LYS  15  -3.204   8.716  -0.196
  131   2HZ   LYS  15           HZ3      LYS  15  -4.248   9.108  -1.477
  132   3HZ   LYS  15           HZ2      LYS  15  -4.884   8.528  -0.006
  133    H    ALA  16           HN       ALA  16  -2.497   3.848   4.359
  134    HA   ALA  16           HA       ALA  16  -0.382   4.844   5.900
  135   1HB   ALA  16           HB2      ALA  16  -2.569   4.295   6.833
  136   2HB   ALA  16           HB3      ALA  16  -2.268   2.581   6.563
  137   3HB   ALA  16           HB1      ALA  16  -1.281   3.479   7.715
  138    H    LEU  17           HN       LEU  17  -0.935   1.555   4.644
  139    HA   LEU  17           HA       LEU  17   1.219   0.234   5.812
  140   1HB   LEU  17           HB2      LEU  17  -0.070  -0.157   3.105
  141   2HB   LEU  17           HB3      LEU  17   1.134  -1.252   3.747
  142    HG   LEU  17           HG       LEU  17  -1.716  -0.939   4.466
  143   1HD1  LEU  17          HD11      LEU  17   0.212  -3.243   4.340
  144   2HD1  LEU  17          HD12      LEU  17  -1.488  -3.385   4.786
  145   3HD1  LEU  17          HD13      LEU  17  -1.043  -2.827   3.172
  146   1HD2  LEU  17          HD23      LEU  17   0.381  -1.634   6.513
  147   2HD2  LEU  17          HD21      LEU  17  -0.818  -0.344   6.598
  148   3HD2  LEU  17          HD22      LEU  17  -1.326  -2.027   6.677
  149    H    LEU  18           HN       LEU  18   1.103   1.993   2.730
  150    HA   LEU  18           HA       LEU  18   3.853   1.522   2.084
  151   1HB   LEU  18           HB2      LEU  18   1.986   3.663   1.066
  152   2HB   LEU  18           HB3      LEU  18   3.522   3.221   0.343
  153    HG   LEU  18           HG       LEU  18   1.309   1.205   0.638
  154   1HD1  LEU  18          HD12      LEU  18   1.235   3.578  -0.938
  155   2HD1  LEU  18          HD13      LEU  18   1.399   2.181  -2.010
  156   3HD1  LEU  18          HD11      LEU  18   0.072   2.257  -0.858
  157   1HD2  LEU  18          HD23      LEU  18   3.638   1.432  -1.260
  158   2HD2  LEU  18          HD21      LEU  18   3.531   0.334   0.124
  159   3HD2  LEU  18          HD22      LEU  18   2.433   0.147  -1.248
  160    H    LYS  19           HN       LYS  19   2.163   4.449   3.235
  161    HA   LYS  19           HA       LYS  19   4.376   6.115   3.398
  162   1HB   LYS  19           HB2      LYS  19   1.802   6.154   4.973
  163   2HB   LYS  19           HB3      LYS  19   2.980   7.462   4.990
  164   1HG   LYS  19           HG2      LYS  19   2.654   7.890   2.661
  165   2HG   LYS  19           HG3      LYS  19   1.675   6.431   2.472
  166   1HD   LYS  19           HD2      LYS  19   0.151   8.249   2.541
  167   2HD   LYS  19           HD3      LYS  19   0.034   7.435   4.100
  168   1HE   LYS  19           HE2      LYS  19   0.148   9.587   4.839
  169   2HE   LYS  19           HE3      LYS  19   1.872   9.236   4.767
  170   1HZ   LYS  19           HZ1      LYS  19   0.299  10.621   2.663
  171   2HZ   LYS  19           HZ3      LYS  19   1.373  11.362   3.760
  172   3HZ   LYS  19           HZ2      LYS  19   1.970  10.279   2.593
  173    H    GLU  20           HN       GLU  20   3.494   3.579   5.603
  174    HA   GLU  20           HA       GLU  20   4.940   4.563   7.884
  175   1HB   GLU  20           HB2      GLU  20   3.798   1.873   7.134
  176   2HB   GLU  20           HB3      GLU  20   4.765   2.079   8.589
  177   1HG   GLU  20           HG2      GLU  20   2.451   3.912   8.137
  178   2HG   GLU  20           HG3      GLU  20   2.136   2.253   8.642
  179    H    GLU  21           HN       GLU  21   5.849   3.055   4.939
  180    HA   GLU  21           HA       GLU  21   7.800   2.311   4.065
  181   1HB   GLU  21           HB2      GLU  21   9.224   3.695   6.346
  182   2HB   GLU  21           HB3      GLU  21   9.811   3.396   4.715
  183   1HG   GLU  21           HG2      GLU  21   7.918   4.908   3.924
  184   2HG   GLU  21           HG3      GLU  21   7.743   5.381   5.610
  185    H    LYS  22           HN       LYS  22   7.001   0.207   4.730
  186    HA   LYS  22           HA       LYS  22   8.831  -1.175   6.586
  187   1HB   LYS  22           HB2      LYS  22   6.954  -1.003   7.953
  188   2HB   LYS  22           HB3      LYS  22   5.829  -1.068   6.608
  189   1HG   LYS  22           HG2      LYS  22   5.964  -3.407   6.457
  190   2HG   LYS  22           HG3      LYS  22   7.415  -3.470   7.457
  191   1HD   LYS  22           HD2      LYS  22   6.189  -2.863   9.414
  192   2HD   LYS  22           HD3      LYS  22   4.752  -2.481   8.468
  193   1HE   LYS  22           HE2      LYS  22   4.569  -4.643   9.651
  194   2HE   LYS  22           HE3      LYS  22   4.437  -4.803   7.904
  195   1HZ   LYS  22           HZ1      LYS  22   7.139  -5.076   8.792
  196   2HZ   LYS  22           HZ3      LYS  22   6.118  -6.211   9.542
  197   3HZ   LYS  22           HZ2      LYS  22   6.197  -6.132   7.846
  198    H    PHE  23           HN       PHE  23   6.383  -1.550   4.052
  199    HA   PHE  23           HA       PHE  23   7.210  -4.224   3.385
  200   1HB   PHE  23           HB2      PHE  23   5.311  -2.403   1.903
  201   2HB   PHE  23           HB3      PHE  23   5.397  -4.166   1.802
  202    HD1  PHE  23           HD2      PHE  23   4.994  -5.477   3.976
  203    HD2  PHE  23           HD1      PHE  23   3.934  -1.391   3.513
  204    HE1  PHE  23           HE2      PHE  23   3.477  -5.668   5.891
  205    HE2  PHE  23           HE1      PHE  23   2.415  -1.575   5.437
  206    HZ   PHE  23           HZ       PHE  23   2.174  -3.715   6.623
  207    H    SER  24           HN       SER  24   8.571  -4.856   1.866
  208    HA   SER  24           HA       SER  24   9.864  -2.826   0.208
  209   1HB   SER  24           HB2      SER  24  11.208  -5.331  -0.037
  210   2HB   SER  24           HB3      SER  24  11.756  -3.870   0.765
  211    HG   SER  24           HG       SER  24  10.236  -5.987   1.912
  212    H    SER  25           HN       SER  25   7.816  -5.606  -0.138
  213    HA   SER  25           HA       SER  25   7.911  -5.254  -3.067
  214   1HB   SER  25           HB2      SER  25   7.597  -7.750  -3.295
  215   2HB   SER  25           HB3      SER  25   9.171  -7.268  -2.670
  216    HG   SER  25           HG       SER  25   8.387  -7.757  -0.556
  217    H    GLN  26           HN       GLN  26   5.985  -6.765  -3.963
  218    HA   GLN  26           HA       GLN  26   3.555  -5.445  -3.201
  219   1HB   GLN  26           HB2      GLN  26   3.372  -7.998  -4.733
  220   2HB   GLN  26           HB3      GLN  26   2.645  -6.444  -5.020
  221   1HG   GLN  26           HG2      GLN  26   5.512  -7.077  -5.637
  222   2HG   GLN  26           HG3      GLN  26   4.193  -7.167  -6.793
  223   1HE2  GLN  26          HE22      GLN  26   3.883  -3.692  -7.206
  224   2HE2  GLN  26          HE21      GLN  26   3.016  -5.190  -7.235
  225    H    GLY  27           HN       GLY  27   4.396  -8.891  -3.212
  226   1HA   GLY  27           HA1      GLY  27   2.410 -10.065  -1.838
  227   2HA   GLY  27           HA2      GLY  27   4.067 -10.594  -1.688
  228    H    GLU  28           HN       GLU  28   5.041  -8.312  -0.201
  229    HA   GLU  28           HA       GLU  28   4.481  -9.153   2.425
  230   1HB   GLU  28           HB2      GLU  28   5.715  -6.554   1.471
  231   2HB   GLU  28           HB3      GLU  28   5.732  -7.128   3.132
  232   1HG   GLU  28           HG2      GLU  28   7.133  -8.956   2.596
  233   2HG   GLU  28           HG3      GLU  28   6.946  -8.676   0.867
  234    H    ILE  29           HN       ILE  29   3.288  -6.309   0.620
  235    HA   ILE  29           HA       ILE  29   1.649  -5.439   2.827
  236    HB   ILE  29           HB       ILE  29   1.984  -3.511   1.818
  237   1HG1  ILE  29          HG12      ILE  29   0.046  -4.434  -0.303
  238   2HG1  ILE  29          HG13      ILE  29  -0.388  -3.745   1.261
  239   1HG2  ILE  29          HG21      ILE  29   3.707  -4.516   0.357
  240   2HG2  ILE  29          HG22      ILE  29   2.458  -4.787  -0.858
  241   3HG2  ILE  29          HG23      ILE  29   2.872  -3.150  -0.373
  242   1HD1  ILE  29          HD11      ILE  29   1.312  -1.854   0.253
  243   2HD1  ILE  29          HD12      ILE  29   0.482  -2.428  -1.191
  244   3HD1  ILE  29          HD13      ILE  29  -0.447  -1.802   0.169
  245    H    VAL  30           HN       VAL  30   1.244  -7.629   0.180
  246    HA   VAL  30           HA       VAL  30  -1.593  -7.664  -0.007
  247    HB   VAL  30           HB       VAL  30   0.323  -9.978  -0.459
  248   1HG1  VAL  30          HG13      VAL  30  -2.548  -9.579  -1.259
  249   2HG1  VAL  30          HG11      VAL  30  -1.507 -10.825  -1.941
  250   3HG1  VAL  30          HG12      VAL  30  -1.889 -10.841  -0.224
  251   1HG2  VAL  30          HG22      VAL  30   0.543  -7.782  -1.860
  252   2HG2  VAL  30          HG23      VAL  30   0.583  -9.350  -2.653
  253   3HG2  VAL  30          HG21      VAL  30  -0.894  -8.395  -2.668
  254    H    ALA  31           HN       ALA  31   0.706  -9.550   1.954
  255    HA   ALA  31           HA       ALA  31  -1.276 -11.043   3.372
  256   1HB   ALA  31           HB3      ALA  31   1.021 -11.855   3.130
  257   2HB   ALA  31           HB1      ALA  31   1.606 -10.511   4.107
  258   3HB   ALA  31           HB2      ALA  31   0.562 -11.736   4.827
  259    H    ALA  32           HN       ALA  32   0.536  -8.066   4.059
  260    HA   ALA  32           HA       ALA  32  -0.154  -7.635   6.706
  261   1HB   ALA  32           HB3      ALA  32   1.479  -6.303   5.411
  262   2HB   ALA  32           HB1      ALA  32   0.141  -5.484   4.612
  263   3HB   ALA  32           HB2      ALA  32   0.366  -5.313   6.355
  264    H    LEU  33           HN       LEU  33  -2.020  -6.705   3.799
  265    HA   LEU  33           HA       LEU  33  -4.085  -5.390   5.244
  266   1HB   LEU  33           HB2      LEU  33  -4.160  -6.560   2.461
  267   2HB   LEU  33           HB3      LEU  33  -5.388  -5.502   3.144
  268    HG   LEU  33           HG       LEU  33  -2.531  -4.586   2.946
  269   1HD1  LEU  33          HD12      LEU  33  -3.754  -5.395   0.705
  270   2HD1  LEU  33          HD13      LEU  33  -4.415  -3.765   0.828
  271   3HD1  LEU  33          HD11      LEU  33  -2.670  -4.011   0.771
  272   1HD2  LEU  33          HD21      LEU  33  -4.221  -3.364   4.339
  273   2HD2  LEU  33          HD22      LEU  33  -3.474  -2.408   3.063
  274   3HD2  LEU  33          HD23      LEU  33  -5.105  -3.033   2.853
  275    H    GLN  34           HN       GLN  34  -3.547  -8.770   4.420
  276    HA   GLN  34           HA       GLN  34  -6.206  -9.666   4.978
  277   1HB   GLN  34           HB2      GLN  34  -3.564 -11.134   4.945
  278   2HB   GLN  34           HB3      GLN  34  -5.100 -11.926   5.264
  279   1HG   GLN  34           HG2      GLN  34  -5.920 -11.388   3.087
  280   2HG   GLN  34           HG3      GLN  34  -4.527 -10.360   2.758
  281   1HE2  GLN  34          HE22      GLN  34  -2.767 -12.943   1.311
  282   2HE2  GLN  34          HE21      GLN  34  -3.151 -11.258   1.423
  283    H    GLU  35           HN       GLU  35  -3.339  -9.079   6.940
  284    HA   GLU  35           HA       GLU  35  -4.440 -10.145   9.379
  285   1HB   GLU  35           HB2      GLU  35  -2.129  -8.227   8.986
  286   2HB   GLU  35           HB3      GLU  35  -2.513  -9.085  10.471
  287   1HG   GLU  35           HG2      GLU  35  -2.095 -11.220   9.335
  288   2HG   GLU  35           HG3      GLU  35  -1.667 -10.345   7.867
  289    H    GLN  36           HN       GLN  36  -4.443  -7.030   7.765
  290    HA   GLN  36           HA       GLN  36  -5.210  -5.375   9.929
  291   1HB   GLN  36           HB2      GLN  36  -5.394  -5.123   6.946
  292   2HB   GLN  36           HB3      GLN  36  -6.175  -3.937   7.975
  293   1HG   GLN  36           HG2      GLN  36  -3.327  -4.573   8.531
  294   2HG   GLN  36           HG3      GLN  36  -3.690  -3.650   7.075
  295   1HE2  GLN  36          HE22      GLN  36  -3.908  -0.680   8.829
  296   2HE2  GLN  36          HE21      GLN  36  -3.527  -1.543   7.380
  297    H    GLY  37           HN       GLY  37  -7.242  -6.569   7.239
  298   1HA   GLY  37           HA1      GLY  37  -9.334  -7.635   8.649
  299   2HA   GLY  37           HA2      GLY  37  -9.670  -5.910   8.629
  300    H    PHE  38           HN       PHE  38  -8.103  -7.636   5.979
  301    HA   PHE  38           HA       PHE  38 -10.540  -7.208   4.347
  302   1HB   PHE  38           HB2      PHE  38  -7.664  -7.021   3.411
  303   2HB   PHE  38           HB3      PHE  38  -9.105  -6.738   2.433
  304    HD1  PHE  38           HD1      PHE  38 -10.575  -4.793   2.942
  305    HD2  PHE  38           HD2      PHE  38  -6.849  -5.345   4.898
  306    HE1  PHE  38           HE1      PHE  38 -10.618  -2.456   3.709
  307    HE2  PHE  38           HE2      PHE  38  -6.884  -3.031   5.669
  308    HZ   PHE  38           HZ       PHE  38  -8.758  -1.581   5.074
  309    H    ASP  39           HN       ASP  39 -10.761  -8.652   2.493
  310    HA   ASP  39           HA       ASP  39  -9.432 -11.211   2.650
  311   1HB   ASP  39           HB2      ASP  39 -11.533 -11.147   4.194
  312   2HB   ASP  39           HB3      ASP  39 -12.427 -11.227   2.692
  313    H    ASN  40           HN       ASN  40  -9.204 -12.047   0.788
  314    HA   ASN  40           HA       ASN  40  -9.469 -12.626  -1.436
  315   1HB   ASN  40           HB2      ASN  40 -11.972 -12.010  -1.153
  316   2HB   ASN  40           HB3      ASN  40 -11.527 -10.461  -1.859
  317   1HD2  ASN  40          HD22      ASN  40 -11.862 -11.688  -5.072
  318   2HD2  ASN  40          HD21      ASN  40 -12.000 -10.382  -3.949
  319    H    ILE  41           HN       ILE  41  -7.649 -10.870  -0.255
  320    HA   ILE  41           HA       ILE  41  -7.148  -8.823  -2.316
  321    HB   ILE  41           HB       ILE  41  -6.520  -9.020   0.582
  322   1HG1  ILE  41          HG12      ILE  41  -6.967  -6.661   0.545
  323   2HG1  ILE  41          HG13      ILE  41  -6.791  -6.594  -1.207
  324   1HG2  ILE  41          HG22      ILE  41  -4.529  -7.939  -1.382
  325   2HG2  ILE  41          HG23      ILE  41  -4.638  -7.338   0.269
  326   3HG2  ILE  41          HG21      ILE  41  -4.271  -9.036  -0.020
  327   1HD1  ILE  41          HD11      ILE  41  -8.948  -8.177   0.142
  328   2HD1  ILE  41          HD12      ILE  41  -9.135  -6.485  -0.322
  329   3HD1  ILE  41          HD13      ILE  41  -8.828  -7.708  -1.554
  330    H    ASN  42           HN       ASN  42  -5.848  -9.453  -3.872
  331    HA   ASN  42           HA       ASN  42  -3.807 -11.529  -3.344
  332   1HB   ASN  42           HB2      ASN  42  -4.004 -12.120  -5.760
  333   2HB   ASN  42           HB3      ASN  42  -5.474 -12.396  -4.841
  334   1HD2  ASN  42          HD22      ASN  42  -7.357 -10.635  -7.141
  335   2HD2  ASN  42          HD21      ASN  42  -7.196 -11.951  -6.022
  336    H    GLN  43           HN       GLN  43  -2.038 -11.502  -5.093
  337    HA   GLN  43           HA       GLN  43  -0.450  -9.239  -4.708
  338   1HB   GLN  43           HB2      GLN  43   0.197 -11.671  -5.389
  339   2HB   GLN  43           HB3      GLN  43   0.002 -11.090  -7.036
  340   1HG   GLN  43           HG2      GLN  43   1.658  -9.315  -6.569
  341   2HG   GLN  43           HG3      GLN  43   1.891  -9.993  -4.960
  342   1HE2  GLN  43          HE22      GLN  43   4.151 -11.328  -7.857
  343   2HE2  GLN  43          HE21      GLN  43   3.350  -9.798  -7.787
  344    H    SER  44           HN       SER  44  -2.383 -10.153  -7.577
  345    HA   SER  44           HA       SER  44  -1.560  -8.109  -9.264
  346   1HB   SER  44           HB2      SER  44  -4.267  -9.378  -9.184
  347   2HB   SER  44           HB3      SER  44  -3.514  -8.605 -10.555
  348    HG   SER  44           HG       SER  44  -3.322 -10.863 -10.693
  349    H    LYS  45           HN       LYS  45  -4.127  -8.114  -6.815
  350    HA   LYS  45           HA       LYS  45  -5.196  -5.558  -7.472
  351   1HB   LYS  45           HB2      LYS  45  -6.020  -7.549  -5.831
  352   2HB   LYS  45           HB3      LYS  45  -5.332  -6.464  -4.634
  353   1HG   LYS  45           HG2      LYS  45  -7.183  -5.234  -4.675
  354   2HG   LYS  45           HG3      LYS  45  -6.944  -4.915  -6.395
  355   1HD   LYS  45           HD2      LYS  45  -8.051  -7.105  -6.885
  356   2HD   LYS  45           HD3      LYS  45  -8.435  -7.236  -5.169
  357   1HE   LYS  45           HE2      LYS  45  -9.467  -4.845  -5.548
  358   2HE   LYS  45           HE3      LYS  45  -9.516  -5.366  -7.232
  359   1HZ   LYS  45           HZ3      LYS  45 -10.518  -7.474  -5.724
  360   2HZ   LYS  45           HZ2      LYS  45 -11.252  -6.066  -5.105
  361   3HZ   LYS  45           HZ1      LYS  45 -11.385  -6.445  -6.761
  362    H    VAL  46           HN       VAL  46  -2.662  -6.640  -5.278
  363    HA   VAL  46           HA       VAL  46  -2.111  -4.118  -4.053
  364    HB   VAL  46           HB       VAL  46  -0.689  -6.748  -4.179
  365   1HG1  VAL  46          HG13      VAL  46   0.413  -4.217  -2.961
  366   2HG1  VAL  46          HG11      VAL  46   1.047  -5.838  -2.695
  367   3HG1  VAL  46          HG12      VAL  46   1.122  -5.136  -4.308
  368   1HG2  VAL  46          HG21      VAL  46  -2.145  -5.099  -2.159
  369   2HG2  VAL  46          HG22      VAL  46  -2.322  -6.810  -2.550
  370   3HG2  VAL  46          HG23      VAL  46  -0.933  -6.253  -1.616
  371    H    SER  47           HN       SER  47  -0.630  -5.877  -6.763
  372    HA   SER  47           HA       SER  47   1.335  -3.914  -7.332
  373   1HB   SER  47           HB2      SER  47   0.163  -6.129  -9.022
  374   2HB   SER  47           HB3      SER  47   1.539  -5.143  -9.511
  375    HG   SER  47           HG       SER  47   2.439  -6.891  -8.565
  376    H    ARG  48           HN       ARG  48  -1.990  -4.396  -8.428
  377    HA   ARG  48           HA       ARG  48  -1.908  -2.361 -10.460
  378   1HB   ARG  48           HB2      ARG  48  -4.097  -3.935  -9.142
  379   2HB   ARG  48           HB3      ARG  48  -4.519  -2.483 -10.038
  380   1HG   ARG  48           HG2      ARG  48  -2.879  -3.735 -11.813
  381   2HG   ARG  48           HG3      ARG  48  -3.642  -5.108 -11.016
  382   1HD   ARG  48           HD2      ARG  48  -5.107  -2.778 -12.256
  383   2HD   ARG  48           HD3      ARG  48  -4.870  -4.351 -13.020
  384    HE   ARG  48           HE       ARG  48  -6.064  -4.987 -10.678
  385   1HH1  ARG  48          HH12      ARG  48  -6.875  -2.800 -13.296
  386   2HH1  ARG  48          HH11      ARG  48  -8.591  -2.962 -13.062
  387   1HH2  ARG  48          HH22      ARG  48  -8.300  -5.194 -10.357
  388   2HH2  ARG  48          HH21      ARG  48  -9.408  -4.318 -11.380
  389    H    MET  49           HN       MET  49  -2.908  -2.464  -7.057
  390    HA   MET  49           HA       MET  49  -3.829   0.205  -6.887
  391   1HB   MET  49           HB2      MET  49  -2.909  -1.801  -4.838
  392   2HB   MET  49           HB3      MET  49  -3.281  -0.147  -4.368
  393   1HG   MET  49           HG2      MET  49  -5.537  -0.361  -5.050
  394   2HG   MET  49           HG3      MET  49  -5.225  -1.898  -5.853
  395   1HE   MET  49           HE1      MET  49  -4.933  -0.031  -2.525
  396   2HE   MET  49           HE2      MET  49  -6.665  -0.378  -2.561
  397   3HE   MET  49           HE3      MET  49  -5.637  -1.148  -1.355
  398    H    LEU  50           HN       LEU  50  -0.609  -1.236  -6.497
  399    HA   LEU  50           HA       LEU  50   0.743   1.043  -5.512
  400   1HB   LEU  50           HB2      LEU  50   1.585  -1.459  -6.918
  401   2HB   LEU  50           HB3      LEU  50   2.740  -0.140  -6.824
  402    HG   LEU  50           HG       LEU  50   1.382  -1.093  -4.340
  403   1HD1  LEU  50          HD11      LEU  50   3.795  -2.383  -5.595
  404   2HD1  LEU  50          HD12      LEU  50   3.217  -2.684  -3.957
  405   3HD1  LEU  50          HD13      LEU  50   2.223  -3.139  -5.337
  406   1HD2  LEU  50          HD23      LEU  50   3.867   0.388  -5.014
  407   2HD2  LEU  50          HD21      LEU  50   2.590   0.781  -3.859
  408   3HD2  LEU  50          HD22      LEU  50   3.747  -0.497  -3.492
  409    H    THR  51           HN       THR  51   0.255  -0.104  -8.847
  410    HA   THR  51           HA       THR  51   1.589   2.098 -10.081
  411    HB   THR  51           HB       THR  51  -0.487   0.418 -11.481
  412    HG1  THR  51           HG1      THR  51   0.743  -1.089 -10.365
  413   1HG2  THR  51          HG21      THR  51   0.626   2.151 -12.796
  414   2HG2  THR  51          HG23      THR  51   2.195   1.450 -12.392
  415   3HG2  THR  51          HG22      THR  51   1.037   0.531 -13.358
  416    H    LYS  52           HN       LYS  52  -1.796   1.417  -9.304
  417    HA   LYS  52           HA       LYS  52  -2.931   3.634 -10.675
  418   1HB   LYS  52           HB2      LYS  52  -4.115   1.523  -9.911
  419   2HB   LYS  52           HB3      LYS  52  -4.099   2.177  -8.282
  420   1HG   LYS  52           HG2      LYS  52  -5.283   3.773 -10.520
  421   2HG   LYS  52           HG3      LYS  52  -6.196   2.443  -9.815
  422   1HD   LYS  52           HD2      LYS  52  -5.066   4.176  -7.768
  423   2HD   LYS  52           HD3      LYS  52  -6.079   5.070  -8.894
  424   1HE   LYS  52           HE2      LYS  52  -6.913   2.581  -7.402
  425   2HE   LYS  52           HE3      LYS  52  -7.331   4.233  -6.949
  426   1HZ   LYS  52           HZ1      LYS  52  -7.988   3.617  -9.681
  427   2HZ   LYS  52           HZ3      LYS  52  -8.811   2.632  -8.557
  428   3HZ   LYS  52           HZ2      LYS  52  -8.939   4.329  -8.463
  429    H    PHE  53           HN       PHE  53  -2.125   3.108  -7.246
  430    HA   PHE  53           HA       PHE  53  -2.997   5.670  -6.382
  431   1HB   PHE  53           HB2      PHE  53  -1.284   3.535  -5.091
  432   2HB   PHE  53           HB3      PHE  53  -1.594   5.073  -4.306
  433    HD1  PHE  53           HD1      PHE  53  -4.012   3.025  -6.289
  434    HD2  PHE  53           HD2      PHE  53  -2.810   4.439  -2.480
  435    HE1  PHE  53           HE1      PHE  53  -6.082   2.141  -5.323
  436    HE2  PHE  53           HE2      PHE  53  -4.877   3.554  -1.492
  437    HZ   PHE  53           HZ       PHE  53  -6.524   2.402  -2.923
  438    H    GLY  54           HN       GLY  54   0.142   4.408  -7.400
  439   1HA   GLY  54           HA1      GLY  54   1.829   5.716  -8.401
  440   2HA   GLY  54           HA2      GLY  54   1.138   7.155  -7.674
  441    H    ALA  55           HN       ALA  55   2.375   4.035  -6.446
  442    HA   ALA  55           HA       ALA  55   3.629   5.352  -4.180
  443   1HB   ALA  55           HB1      ALA  55   2.563   2.843  -4.536
  444   2HB   ALA  55           HB2      ALA  55   4.301   2.533  -4.557
  445   3HB   ALA  55           HB3      ALA  55   3.567   3.358  -3.181
  446    H    VAL  56           HN       VAL  56   5.875   5.177  -3.682
  447    HA   VAL  56           HA       VAL  56   7.673   4.706  -5.977
  448    HB   VAL  56           HB       VAL  56   9.082   6.604  -5.249
  449   1HG1  VAL  56          HG12      VAL  56   7.263   6.801  -6.993
  450   2HG1  VAL  56          HG13      VAL  56   6.280   7.579  -5.750
  451   3HG1  VAL  56          HG11      VAL  56   7.800   8.311  -6.259
  452   1HG2  VAL  56          HG22      VAL  56   6.924   6.942  -3.192
  453   2HG2  VAL  56          HG23      VAL  56   8.675   6.980  -2.996
  454   3HG2  VAL  56          HG21      VAL  56   7.843   8.331  -3.764
  455    H    ARG  57           HN       ARG  57   9.915   4.216  -5.329
  456    HA   ARG  57           HA       ARG  57   9.984   2.715  -2.793
  457   1HB   ARG  57           HB2      ARG  57  11.805   2.459  -5.203
  458   2HB   ARG  57           HB3      ARG  57  11.824   1.443  -3.769
  459   1HG   ARG  57           HG2      ARG  57   9.605   0.604  -4.295
  460   2HG   ARG  57           HG3      ARG  57   9.531   1.650  -5.714
  461   1HD   ARG  57           HD2      ARG  57  10.117  -0.691  -6.258
  462   2HD   ARG  57           HD3      ARG  57  11.344   0.468  -6.754
  463    HE   ARG  57           HE       ARG  57  11.539  -1.348  -4.422
  464   1HH1  ARG  57          HH12      ARG  57  13.099   0.620  -6.882
  465   2HH1  ARG  57          HH11      ARG  57  14.700   0.081  -6.459
  466   1HH2  ARG  57          HH22      ARG  57  13.606  -2.036  -3.881
  467   2HH2  ARG  57          HH21      ARG  57  14.991  -1.439  -4.755
  468    H    THR  58           HN       THR  58  11.413   3.250  -1.187
  469    HA   THR  58           HA       THR  58  13.699   4.953  -1.760
  470    HB   THR  58           HB       THR  58  11.461   6.352  -1.352
  471    HG1  THR  58           HG1      THR  58  12.776   7.991  -1.138
  472   1HG2  THR  58          HG21      THR  58  11.102   5.324   0.925
  473   2HG2  THR  58          HG23      THR  58  12.504   6.253   1.458
  474   3HG2  THR  58          HG22      THR  58  11.079   7.086   0.838
  475    H    ARG  59           HN       ARG  59  15.003   5.402   0.230
  476    HA   ARG  59           HA       ARG  59  15.215   2.990   1.817
  477   1HB   ARG  59           HB2      ARG  59  17.014   4.992   0.962
  478   2HB   ARG  59           HB3      ARG  59  16.946   5.134   2.710
  479   1HG   ARG  59           HG2      ARG  59  17.257   2.526   2.612
  480   2HG   ARG  59           HG3      ARG  59  17.947   2.892   1.032
  481   1HD   ARG  59           HD2      ARG  59  18.829   4.271   3.571
  482   2HD   ARG  59           HD3      ARG  59  19.575   2.795   2.979
  483    HE   ARG  59           HE       ARG  59  20.516   3.965   1.198
  484   1HH1  ARG  59          HH12      ARG  59  18.538   6.089   3.182
  485   2HH1  ARG  59          HH11      ARG  59  19.194   7.545   2.492
  486   1HH2  ARG  59          HH22      ARG  59  21.379   5.873   0.309
  487   2HH2  ARG  59          HH21      ARG  59  20.806   7.428   0.859
  488    H    ASN  60           HN       ASN  60  14.329   2.699   3.781
  489    HA   ASN  60           HA       ASN  60  12.881   4.876   5.035
  490   1HB   ASN  60           HB2      ASN  60  11.958   3.179   6.537
  491   2HB   ASN  60           HB3      ASN  60  11.807   2.691   4.860
  492   1HD2  ASN  60          HD22      ASN  60  12.788  -0.379   6.384
  493   2HD2  ASN  60          HD21      ASN  60  11.414   0.636   6.108
  494    H    ALA  61           HN       ALA  61  12.940   4.485   7.664
  495    HA   ALA  61           HA       ALA  61  15.214   5.844   8.535
  496   1HB   ALA  61           HB1      ALA  61  13.199   4.251  10.120
  497   2HB   ALA  61           HB2      ALA  61  14.395   5.338  10.827
  498   3HB   ALA  61           HB3      ALA  61  13.151   5.975   9.753
  499    H    LYS  62           HN       LYS  62  14.701   2.411   8.209
  500    HA   LYS  62           HA       LYS  62  17.156   1.805   9.715
  501   1HB   LYS  62           HB2      LYS  62  14.986  -0.021   8.663
  502   2HB   LYS  62           HB3      LYS  62  16.454  -0.569   9.460
  503   1HG   LYS  62           HG2      LYS  62  15.054  -0.580  11.244
  504   2HG   LYS  62           HG3      LYS  62  15.629   1.081  11.357
  505   1HD   LYS  62           HD2      LYS  62  13.611   1.958  10.841
  506   2HD   LYS  62           HD3      LYS  62  13.259   0.713   9.641
  507   1HE   LYS  62           HE2      LYS  62  13.023   0.441  12.640
  508   2HE   LYS  62           HE3      LYS  62  11.692   0.581  11.494
  509   1HZ   LYS  62           HZ1      LYS  62  13.023  -1.529  10.511
  510   2HZ   LYS  62           HZ3      LYS  62  13.308  -1.726  12.180
  511   3HZ   LYS  62           HZ2      LYS  62  11.713  -1.650  11.589
  512    H    MET  63           HN       MET  63  17.127   3.066   7.058
  513    HA   MET  63           HA       MET  63  18.081   2.979   5.020
  514   1HB   MET  63           HB2      MET  63  20.365   1.922   4.979
  515   2HB   MET  63           HB3      MET  63  20.098   3.122   6.236
  516   1HG   MET  63           HG2      MET  63  19.836   1.354   7.893
  517   2HG   MET  63           HG3      MET  63  20.025   0.132   6.635
  518   1HE   MET  63           HE2      MET  63  21.646   1.008   9.516
  519   2HE   MET  63           HE3      MET  63  21.936  -0.581   8.797
  520   3HE   MET  63           HE1      MET  63  23.290   0.502   9.124
  521    H    GLU  64           HN       GLU  64  16.020   1.147   5.005
  522    HA   GLU  64           HA       GLU  64  17.129  -0.962   3.256
  523   1HB   GLU  64           HB2      GLU  64  14.581  -1.078   4.890
  524   2HB   GLU  64           HB3      GLU  64  15.183  -2.343   3.831
  525   1HG   GLU  64           HG2      GLU  64  17.303  -1.873   5.552
  526   2HG   GLU  64           HG3      GLU  64  15.886  -1.716   6.586
  527    H    MET  65           HN       MET  65  16.224  -1.220   1.236
  528    HA   MET  65           HA       MET  65  14.737   0.992   0.157
  529   1HB   MET  65           HB2      MET  65  15.651  -1.632  -1.055
  530   2HB   MET  65           HB3      MET  65  14.789  -0.399  -1.965
  531   1HG   MET  65           HG2      MET  65  16.928   0.928  -0.719
  532   2HG   MET  65           HG3      MET  65  17.582  -0.589  -1.335
  533   1HE   MET  65           HE3      MET  65  15.818   2.755  -2.147
  534   2HE   MET  65           HE1      MET  65  15.607   2.692  -3.898
  535   3HE   MET  65           HE2      MET  65  14.631   1.661  -2.855
  536    H    VAL  66           HN       VAL  66  12.672   1.086   0.999
  537    HA   VAL  66           HA       VAL  66  10.902  -1.211   0.430
  538    HB   VAL  66           HB       VAL  66   9.462  -0.358   2.337
  539   1HG1  VAL  66          HG13      VAL  66  12.232  -1.347   3.011
  540   2HG1  VAL  66          HG11      VAL  66  10.830  -1.407   4.081
  541   3HG1  VAL  66          HG12      VAL  66  10.841  -2.339   2.583
  542   1HG2  VAL  66          HG23      VAL  66  10.565   1.907   2.408
  543   2HG2  VAL  66          HG21      VAL  66  10.397   1.106   3.969
  544   3HG2  VAL  66          HG22      VAL  66  11.960   1.128   3.157
  545    H    TYR  67           HN       TYR  67   8.533  -0.428   0.496
  546    HA   TYR  67           HA       TYR  67   8.186   1.553  -1.582
  547   1HB   TYR  67           HB2      TYR  67   6.488  -0.549  -0.294
  548   2HB   TYR  67           HB3      TYR  67   5.665   0.827  -1.011
  549    HD1  TYR  67           HD2      TYR  67   7.285   1.352  -3.404
  550    HD2  TYR  67           HD1      TYR  67   5.983  -2.324  -1.705
  551    HE1  TYR  67           HE2      TYR  67   7.380   0.308  -5.616
  552    HE2  TYR  67           HE1      TYR  67   6.051  -3.387  -3.921
  553    HH   TYR  67           HH       TYR  67   6.463  -3.098  -6.093
  554    H    CYS  68           HN       CYS  68   7.064   3.446  -1.388
  555    HA   CYS  68           HA       CYS  68   5.841   4.213   1.121
  556   1HB   CYS  68           HB2      CYS  68   7.157   6.334   1.261
  557   2HB   CYS  68           HB3      CYS  68   8.117   4.897   1.571
  558    HG   CYS  68           HG       CYS  68   8.328   6.617  -1.006
  559    H    LEU  69           HN       LEU  69   4.951   6.551   0.865
  560    HA   LEU  69           HA       LEU  69   3.905   6.798  -1.883
  561   1HB   LEU  69           HB2      LEU  69   2.434   6.235   0.272
  562   2HB   LEU  69           HB3      LEU  69   2.448   7.981   0.428
  563    HG   LEU  69           HG       LEU  69   1.523   8.154  -1.875
  564   1HD1  LEU  69          HD13      LEU  69   2.166   5.356  -1.911
  565   2HD1  LEU  69          HD11      LEU  69   0.441   5.583  -2.213
  566   3HD1  LEU  69          HD12      LEU  69   1.629   6.400  -3.231
  567   1HD2  LEU  69          HD21      LEU  69   0.071   8.237   0.075
  568   2HD2  LEU  69          HD22      LEU  69  -0.724   7.449  -1.286
  569   3HD2  LEU  69          HD23      LEU  69  -0.081   6.478   0.044
  570    HA   PRO  70           HA       PRO  70   5.725  10.909  -2.006
  571   1HB   PRO  70           HB2      PRO  70   3.522  11.565  -3.886
  572   2HB   PRO  70           HB3      PRO  70   5.270  11.636  -4.131
  573   1HG   PRO  70           HG2      PRO  70   3.800   9.741  -5.295
  574   2HG   PRO  70           HG3      PRO  70   5.412   9.375  -4.647
  575   1HD   PRO  70           HD2      PRO  70   2.715   8.840  -3.426
  576   2HD   PRO  70           HD3      PRO  70   4.124   7.766  -3.559
  577    H    ALA  71           HN       ALA  71   4.299  13.224  -2.498
  578    HA   ALA  71           HA       ALA  71   3.024  13.730   0.032
  579   1HB   ALA  71           HB2      ALA  71   3.394  15.483  -2.391
  580   2HB   ALA  71           HB3      ALA  71   2.832  16.031  -0.815
  581   3HB   ALA  71           HB1      ALA  71   4.460  15.387  -0.990
  582    H    GLU  72           HN       GLU  72   1.538  11.844  -1.185
  583    HA   GLU  72           HA       GLU  72  -0.540  11.163  -1.715
  584   1HB   GLU  72           HB2      GLU  72  -1.289  13.912  -0.724
  585   2HB   GLU  72           HB3      GLU  72  -2.415  12.587  -0.972
  586   1HG   GLU  72           HG2      GLU  72  -0.069  12.438   0.915
  587   2HG   GLU  72           HG3      GLU  72  -1.663  13.007   1.399
  588    H    LEU  73           HN       LEU  73  -0.505  10.857  -3.897
  589    HA   LEU  73           HA       LEU  73  -0.778  13.064  -5.753
  590   1HB   LEU  73           HB2      LEU  73  -0.681  10.070  -6.179
  591   2HB   LEU  73           HB3      LEU  73  -0.776  11.242  -7.480
  592    HG   LEU  73           HG       LEU  73   1.494  11.141  -5.483
  593   1HD1  LEU  73          HD13      LEU  73   1.186   9.853  -8.180
  594   2HD1  LEU  73          HD11      LEU  73   2.765  10.228  -7.491
  595   3HD1  LEU  73          HD12      LEU  73   1.678   9.120  -6.657
  596   1HD2  LEU  73          HD21      LEU  73   0.946  12.736  -7.961
  597   2HD2  LEU  73          HD22      LEU  73   1.461  13.291  -6.367
  598   3HD2  LEU  73          HD23      LEU  73   2.594  12.434  -7.413
  599    H    GLY  74           HN       GLY  74  -2.870  13.653  -4.645
  600   1HA   GLY  74           HA1      GLY  74  -5.054  13.094  -6.365
  601   2HA   GLY  74           HA2      GLY  74  -5.241  12.195  -4.862
  602    H    VAL  75           HN       VAL  75  -4.807  15.427  -6.219
  603    HA   VAL  75           HA       VAL  75  -5.640  17.452  -5.621
  604    HB   VAL  75           HB       VAL  75  -7.051  16.277  -3.230
  605   1HG1  VAL  75          HG21      VAL  75  -7.255  18.784  -4.837
  606   2HG1  VAL  75          HG22      VAL  75  -8.698  18.140  -4.059
  607   3HG1  VAL  75          HG23      VAL  75  -7.291  18.558  -3.091
  608   1HG2  VAL  75          HG13      VAL  75  -7.630  15.860  -6.089
  609   2HG2  VAL  75          HG11      VAL  75  -8.128  14.931  -4.678
  610   3HG2  VAL  75          HG12      VAL  75  -8.992  16.402  -5.116
  611    HA   PRO  76           HA       PRO  76  -2.188  18.003  -2.734
  612   1HB   PRO  76           HB2      PRO  76  -1.613  20.569  -3.439
  613   2HB   PRO  76           HB3      PRO  76  -1.099  19.167  -4.379
  614   1HG   PRO  76           HG2      PRO  76  -3.395  21.025  -4.841
  615   2HG   PRO  76           HG3      PRO  76  -2.272  20.317  -6.015
  616   1HD   PRO  76           HD2      PRO  76  -4.794  19.376  -5.589
  617   2HD   PRO  76           HD3      PRO  76  -3.454  18.352  -6.142
  618    H    THR  77           HN       THR  77  -2.787  18.202  -0.652
  619    HA   THR  77           HA       THR  77  -4.795  20.125   0.177
  620    HB   THR  77           HB       THR  77  -4.672  17.790   1.068
  621    HG1  THR  77           HG1      THR  77  -5.828  19.130   2.317
  622   1HG2  THR  77          HG21      THR  77  -1.987  18.186   1.532
  623   2HG2  THR  77          HG23      THR  77  -2.699  18.309   3.142
  624   3HG2  THR  77          HG22      THR  77  -2.976  16.870   2.164
  625    H    THR  78           HN       THR  78  -3.276  21.875  -0.669
  626    HA   THR  78           HA       THR  78  -2.161  23.282   1.543
  627    HB   THR  78           HB       THR  78  -0.210  21.953   1.251
  628    HG1  THR  78           HG1      THR  78   0.268  24.180   1.376
  629   1HG2  THR  78          HG21      THR  78  -0.603  22.307  -1.690
  630   2HG2  THR  78          HG23      THR  78   0.981  21.923  -1.021
  631   3HG2  THR  78          HG22      THR  78  -0.371  20.829  -0.762
   
  No H/Q in entry =         631
  Start of MODEL   20
    1   1H    MET   1           HT1      MET   1 -25.415  -1.498  12.232
    2   2H    MET   1           HT3      MET   1 -25.906  -0.759  13.708
    3   3H    MET   1           HT2      MET   1 -27.087  -1.385  12.625
    4    HA   MET   1           HA       MET   1 -27.244   0.533  11.685
    5   1HB   MET   1           HB2      MET   1 -24.951   1.206  13.540
    6   2HB   MET   1           HB3      MET   1 -25.649   2.405  12.455
    7   1HG   MET   1           HG2      MET   1 -27.858   2.003  13.506
    8   2HG   MET   1           HG3      MET   1 -27.069   0.940  14.666
    9   1HE   MET   1           HE3      MET   1 -25.265   1.577  16.227
   10   2HE   MET   1           HE1      MET   1 -24.232   2.708  15.359
   11   3HE   MET   1           HE2      MET   1 -24.991   3.193  16.877
   12    H    ARG   2           HN       ARG   2 -26.494   1.735   9.874
   13    HA   ARG   2           HA       ARG   2 -23.879   0.935   8.762
   14   1HB   ARG   2           HB2      ARG   2 -25.141   0.897   6.477
   15   2HB   ARG   2           HB3      ARG   2 -25.206  -0.508   7.524
   16   1HG   ARG   2           HG2      ARG   2 -27.418   0.079   8.280
   17   2HG   ARG   2           HG3      ARG   2 -27.364   1.594   7.377
   18   1HD   ARG   2           HD2      ARG   2 -27.140  -1.141   6.114
   19   2HD   ARG   2           HD3      ARG   2 -28.660  -0.256   6.271
   20    HE   ARG   2           HE       ARG   2 -27.044   1.523   5.010
   21   1HH1  ARG   2          HH12      ARG   2 -27.918  -1.811   4.356
   22   2HH1  ARG   2          HH11      ARG   2 -27.742  -1.651   2.629
   23   1HH2  ARG   2          HH22      ARG   2 -26.810   1.738   2.750
   24   2HH2  ARG   2          HH21      ARG   2 -27.112   0.369   1.714
   25    H    SER   3           HN       SER   3 -23.328   3.082   9.599
   26    HA   SER   3           HA       SER   3 -24.474   5.457   8.494
   27   1HB   SER   3           HB2      SER   3 -21.734   5.068   9.750
   28   2HB   SER   3           HB3      SER   3 -22.549   6.609   9.484
   29    HG   SER   3           HG       SER   3 -22.899   6.013  11.597
   30    H    SER   4           HN       SER   4 -21.567   3.552   7.768
   31    HA   SER   4           HA       SER   4 -21.659   4.346   4.983
   32   1HB   SER   4           HB2      SER   4 -19.422   5.199   6.818
   33   2HB   SER   4           HB3      SER   4 -19.109   4.899   5.109
   34    HG   SER   4           HG       SER   4 -19.804   6.849   4.801
   35    H    ALA   5           HN       ALA   5 -21.085   2.678   3.745
   36    HA   ALA   5           HA       ALA   5 -19.360   0.553   4.827
   37   1HB   ALA   5           HB3      ALA   5 -22.101   0.156   3.655
   38   2HB   ALA   5           HB1      ALA   5 -20.900  -1.134   3.730
   39   3HB   ALA   5           HB2      ALA   5 -21.487  -0.391   5.215
   40    H    LYS   6           HN       LYS   6 -17.977   1.960   3.426
   41    HA   LYS   6           HA       LYS   6 -18.164   1.190   0.571
   42   1HB   LYS   6           HB2      LYS   6 -16.814   3.619   1.797
   43   2HB   LYS   6           HB3      LYS   6 -16.821   3.212   0.087
   44   1HG   LYS   6           HG2      LYS   6 -18.936   3.956  -0.231
   45   2HG   LYS   6           HG3      LYS   6 -19.471   3.476   1.378
   46   1HD   LYS   6           HD2      LYS   6 -18.743   5.431   2.361
   47   2HD   LYS   6           HD3      LYS   6 -17.510   5.716   1.131
   48   1HE   LYS   6           HE2      LYS   6 -20.486   5.986   0.689
   49   2HE   LYS   6           HE3      LYS   6 -19.389   7.325   1.021
   50   1HZ   LYS   6           HZ1      LYS   6 -18.275   5.915  -1.087
   51   2HZ   LYS   6           HZ3      LYS   6 -19.931   6.035  -1.451
   52   3HZ   LYS   6           HZ2      LYS   6 -19.016   7.445  -1.153
   53    H    GLN   7           HN       GLN   7 -16.189   0.521  -0.438
   54    HA   GLN   7           HA       GLN   7 -14.362  -0.732   1.417
   55   1HB   GLN   7           HB2      GLN   7 -15.218  -1.263  -1.242
   56   2HB   GLN   7           HB3      GLN   7 -13.470  -1.083  -1.278
   57   1HG   GLN   7           HG2      GLN   7 -13.538  -2.653   0.801
   58   2HG   GLN   7           HG3      GLN   7 -15.149  -3.061   0.211
   59   1HE2  GLN   7          HE22      GLN   7 -12.387  -5.289  -1.151
   60   2HE2  GLN   7          HE21      GLN   7 -12.647  -4.641   0.428
   61    H    GLU   8           HN       GLU   8 -14.346   2.242   1.142
   62    HA   GLU   8           HA       GLU   8 -11.779   2.938   0.021
   63   1HB   GLU   8           HB2      GLU   8 -13.585   4.473   1.911
   64   2HB   GLU   8           HB3      GLU   8 -12.158   5.130   1.115
   65   1HG   GLU   8           HG2      GLU   8 -13.301   4.553  -1.083
   66   2HG   GLU   8           HG3      GLU   8 -14.755   4.266  -0.132
   67    H    GLU   9           HN       GLU   9 -12.559   1.082   2.564
   68    HA   GLU   9           HA       GLU   9 -10.761   2.022   4.621
   69   1HB   GLU   9           HB2      GLU   9 -12.108  -0.668   4.247
   70   2HB   GLU   9           HB3      GLU   9 -11.252  -0.150   5.692
   71   1HG   GLU   9           HG2      GLU   9 -12.904   1.486   6.191
   72   2HG   GLU   9           HG3      GLU   9 -13.675   1.278   4.620
   73    H    LEU  10           HN       LEU  10 -10.816  -0.320   2.007
   74    HA   LEU  10           HA       LEU  10  -8.261  -1.491   2.473
   75   1HB   LEU  10           HB2      LEU  10 -10.008  -2.575   1.131
   76   2HB   LEU  10           HB3      LEU  10  -9.910  -1.292  -0.059
   77    HG   LEU  10           HG       LEU  10  -7.711  -2.003  -0.741
   78   1HD1  LEU  10          HD11      LEU  10  -7.819  -3.583   1.773
   79   2HD1  LEU  10          HD12      LEU  10  -6.959  -4.273   0.399
   80   3HD1  LEU  10          HD13      LEU  10  -6.472  -2.708   1.040
   81   1HD2  LEU  10          HD21      LEU  10  -9.699  -3.233  -1.608
   82   2HD2  LEU  10          HD22      LEU  10  -8.201  -4.166  -1.638
   83   3HD2  LEU  10          HD23      LEU  10  -9.403  -4.467  -0.385
   84    H    VAL  11           HN       VAL  11  -9.331   1.493   1.083
   85    HA   VAL  11           HA       VAL  11  -6.909   1.966  -0.461
   86    HB   VAL  11           HB       VAL  11  -9.194   3.835   0.239
   87   1HG1  VAL  11          HG11      VAL  11  -6.610   4.309  -1.091
   88   2HG1  VAL  11          HG12      VAL  11  -8.020   4.913  -1.962
   89   3HG1  VAL  11          HG13      VAL  11  -7.714   5.441  -0.307
   90   1HG2  VAL  11          HG23      VAL  11  -8.563   2.286  -2.271
   91   2HG2  VAL  11          HG21      VAL  11  -9.935   2.044  -1.193
   92   3HG2  VAL  11          HG22      VAL  11  -9.811   3.522  -2.143
   93    H    LYS  12           HN       LYS  12  -8.396   3.722   2.302
   94    HA   LYS  12           HA       LYS  12  -6.234   5.269   3.022
   95   1HB   LYS  12           HB2      LYS  12  -7.248   5.282   5.302
   96   2HB   LYS  12           HB3      LYS  12  -8.324   5.719   3.990
   97   1HG   LYS  12           HG2      LYS  12  -9.720   4.345   5.092
   98   2HG   LYS  12           HG3      LYS  12  -8.884   3.119   4.144
   99   1HD   LYS  12           HD2      LYS  12  -8.495   2.140   6.121
  100   2HD   LYS  12           HD3      LYS  12  -7.226   3.362   6.253
  101   1HE   LYS  12           HE2      LYS  12  -8.516   3.339   8.296
  102   2HE   LYS  12           HE3      LYS  12  -8.827   4.841   7.431
  103   1HZ   LYS  12           HZ1      LYS  12 -10.902   3.837   6.579
  104   2HZ   LYS  12           HZ3      LYS  12 -10.600   2.453   7.527
  105   3HZ   LYS  12           HZ2      LYS  12 -10.875   3.956   8.277
  106    H    ALA  13           HN       ALA  13  -6.991   2.025   4.148
  107    HA   ALA  13           HA       ALA  13  -4.828   1.618   5.872
  108   1HB   ALA  13           HB3      ALA  13  -6.731   0.081   5.725
  109   2HB   ALA  13           HB1      ALA  13  -6.188  -0.446   4.132
  110   3HB   ALA  13           HB2      ALA  13  -5.198  -0.772   5.557
  111    H    PHE  14           HN       PHE  14  -5.075   1.073   2.363
  112    HA   PHE  14           HA       PHE  14  -2.560  -0.068   1.906
  113   1HB   PHE  14           HB2      PHE  14  -4.510   0.099   0.279
  114   2HB   PHE  14           HB3      PHE  14  -4.022   1.744  -0.040
  115    HD1  PHE  14           HD1      PHE  14  -3.087  -1.801  -0.336
  116    HD2  PHE  14           HD2      PHE  14  -2.134   2.196  -1.440
  117    HE1  PHE  14           HE1      PHE  14  -1.540  -2.648  -2.035
  118    HE2  PHE  14           HE2      PHE  14  -0.580   1.341  -3.155
  119    HZ   PHE  14           HZ       PHE  14  -0.291  -1.069  -3.435
  120    H    LYS  15           HN       LYS  15  -3.545   3.365   1.694
  121    HA   LYS  15           HA       LYS  15  -1.098   4.455   0.978
  122   1HB   LYS  15           HB2      LYS  15  -2.945   5.889   2.899
  123   2HB   LYS  15           HB3      LYS  15  -1.953   6.574   1.621
  124   1HG   LYS  15           HG2      LYS  15  -4.265   4.778   1.013
  125   2HG   LYS  15           HG3      LYS  15  -4.493   6.485   1.320
  126   1HD   LYS  15           HD2      LYS  15  -2.440   6.477  -0.519
  127   2HD   LYS  15           HD3      LYS  15  -3.408   5.095  -1.030
  128   1HE   LYS  15           HE2      LYS  15  -3.983   7.302  -2.123
  129   2HE   LYS  15           HE3      LYS  15  -5.326   6.434  -1.373
  130   1HZ   LYS  15           HZ1      LYS  15  -3.958   8.367   0.316
  131   2HZ   LYS  15           HZ3      LYS  15  -4.857   9.004  -0.972
  132   3HZ   LYS  15           HZ2      LYS  15  -5.614   8.011   0.185
  133    H    ALA  16           HN       ALA  16  -2.404   4.020   4.270
  134    HA   ALA  16           HA       ALA  16  -0.276   5.152   5.676
  135   1HB   ALA  16           HB2      ALA  16  -2.440   4.700   6.699
  136   2HB   ALA  16           HB3      ALA  16  -2.151   2.963   6.593
  137   3HB   ALA  16           HB1      ALA  16  -1.141   3.967   7.637
  138    H    LEU  17           HN       LEU  17  -0.807   1.695   4.891
  139    HA   LEU  17           HA       LEU  17   1.426   0.613   6.164
  140   1HB   LEU  17           HB2      LEU  17   0.067  -0.238   3.600
  141   2HB   LEU  17           HB3      LEU  17   1.290  -1.197   4.403
  142    HG   LEU  17           HG       LEU  17  -1.504  -0.593   5.296
  143   1HD1  LEU  17          HD12      LEU  17   0.056  -3.146   4.989
  144   2HD1  LEU  17          HD13      LEU  17  -1.619  -3.024   5.537
  145   3HD1  LEU  17          HD11      LEU  17  -1.190  -2.537   3.895
  146   1HD2  LEU  17          HD21      LEU  17   0.801  -1.438   7.012
  147   2HD2  LEU  17          HD22      LEU  17  -0.373  -0.159   7.296
  148   3HD2  LEU  17          HD23      LEU  17  -0.864  -1.847   7.416
  149    H    LEU  18           HN       LEU  18   1.156   2.014   2.930
  150    HA   LEU  18           HA       LEU  18   3.878   1.483   2.190
  151   1HB   LEU  18           HB2      LEU  18   1.841   3.392   1.060
  152   2HB   LEU  18           HB3      LEU  18   3.409   3.096   0.339
  153    HG   LEU  18           HG       LEU  18   1.369   0.911   0.750
  154   1HD1  LEU  18          HD13      LEU  18   1.713   2.892  -1.448
  155   2HD1  LEU  18          HD11      LEU  18   1.099   1.275  -1.784
  156   3HD1  LEU  18          HD12      LEU  18   0.237   2.338  -0.666
  157   1HD2  LEU  18          HD23      LEU  18   3.743   0.239   0.415
  158   2HD2  LEU  18          HD21      LEU  18   2.672  -0.278  -0.886
  159   3HD2  LEU  18          HD22      LEU  18   3.722   1.116  -1.117
  160    H    LYS  19           HN       LYS  19   2.194   4.555   2.940
  161    HA   LYS  19           HA       LYS  19   4.410   6.213   2.839
  162   1HB   LYS  19           HB2      LYS  19   1.899   6.554   4.490
  163   2HB   LYS  19           HB3      LYS  19   3.070   7.826   4.175
  164   1HG   LYS  19           HG2      LYS  19   2.549   7.898   1.859
  165   2HG   LYS  19           HG3      LYS  19   1.654   6.363   1.952
  166   1HD   LYS  19           HD2      LYS  19  -0.027   7.986   1.870
  167   2HD   LYS  19           HD3      LYS  19   0.094   7.588   3.585
  168   1HE   LYS  19           HE2      LYS  19   1.894   9.629   3.368
  169   2HE   LYS  19           HE3      LYS  19   0.689  10.096   2.170
  170   1HZ   LYS  19           HZ3      LYS  19   0.046   9.397   4.990
  171   2HZ   LYS  19           HZ2      LYS  19   0.281  10.991   4.433
  172   3HZ   LYS  19           HZ1      LYS  19  -1.017  10.062   3.834
  173    H    GLU  20           HN       GLU  20   3.655   3.960   5.350
  174    HA   GLU  20           HA       GLU  20   5.148   5.246   7.452
  175   1HB   GLU  20           HB2      GLU  20   3.852   2.570   7.085
  176   2HB   GLU  20           HB3      GLU  20   5.056   2.748   8.353
  177   1HG   GLU  20           HG2      GLU  20   3.727   4.665   9.250
  178   2HG   GLU  20           HG3      GLU  20   2.474   4.274   8.074
  179    H    GLU  21           HN       GLU  21   5.997   3.290   4.721
  180    HA   GLU  21           HA       GLU  21   7.973   2.540   3.892
  181   1HB   GLU  21           HB2      GLU  21   9.364   3.990   6.155
  182   2HB   GLU  21           HB3      GLU  21  10.046   3.509   4.611
  183   1HG   GLU  21           HG2      GLU  21   8.617   5.100   3.455
  184   2HG   GLU  21           HG3      GLU  21   7.887   5.578   4.983
  185    H    LYS  22           HN       LYS  22   7.212   0.430   4.538
  186    HA   LYS  22           HA       LYS  22   8.951  -0.861   6.520
  187   1HB   LYS  22           HB2      LYS  22   7.225  -0.745   7.964
  188   2HB   LYS  22           HB3      LYS  22   6.036  -0.515   6.698
  189   1HG   LYS  22           HG2      LYS  22   5.534  -2.499   7.842
  190   2HG   LYS  22           HG3      LYS  22   6.098  -2.953   6.249
  191   1HD   LYS  22           HD2      LYS  22   8.353  -3.375   7.308
  192   2HD   LYS  22           HD3      LYS  22   7.574  -3.143   8.872
  193   1HE   LYS  22           HE2      LYS  22   6.502  -5.110   6.868
  194   2HE   LYS  22           HE3      LYS  22   7.813  -5.548   7.964
  195   1HZ   LYS  22           HZ2      LYS  22   5.159  -4.520   8.839
  196   2HZ   LYS  22           HZ1      LYS  22   5.601  -6.163   8.792
  197   3HZ   LYS  22           HZ3      LYS  22   6.412  -5.094   9.842
  198    H    PHE  23           HN       PHE  23   6.364  -1.567   4.170
  199    HA   PHE  23           HA       PHE  23   7.374  -4.201   3.633
  200   1HB   PHE  23           HB2      PHE  23   5.299  -2.598   2.144
  201   2HB   PHE  23           HB3      PHE  23   5.524  -4.347   2.059
  202    HD1  PHE  23           HD2      PHE  23   5.151  -5.728   4.119
  203    HD2  PHE  23           HD1      PHE  23   4.045  -1.626   3.924
  204    HE1  PHE  23           HE2      PHE  23   3.712  -6.033   6.084
  205    HE2  PHE  23           HE1      PHE  23   2.612  -1.922   5.898
  206    HZ   PHE  23           HZ       PHE  23   2.442  -4.127   6.977
  207    H    SER  24           HN       SER  24   8.677  -4.884   2.048
  208    HA   SER  24           HA       SER  24   9.870  -2.893   0.311
  209   1HB   SER  24           HB2      SER  24  11.035  -5.507  -0.047
  210   2HB   SER  24           HB3      SER  24  11.770  -4.035   0.573
  211    HG   SER  24           HG       SER  24  10.456  -6.106   1.980
  212    H    SER  25           HN       SER  25   7.844  -5.710  -0.005
  213    HA   SER  25           HA       SER  25   7.613  -5.120  -2.881
  214   1HB   SER  25           HB2      SER  25   7.349  -7.679  -3.185
  215   2HB   SER  25           HB3      SER  25   8.970  -7.023  -2.985
  216    HG   SER  25           HG       SER  25   8.370  -7.509  -0.579
  217    H    GLN  26           HN       GLN  26   5.692  -6.217  -3.844
  218    HA   GLN  26           HA       GLN  26   3.314  -5.325  -2.669
  219   1HB   GLN  26           HB2      GLN  26   3.526  -7.518  -4.732
  220   2HB   GLN  26           HB3      GLN  26   2.241  -6.375  -4.497
  221   1HG   GLN  26           HG2      GLN  26   3.165  -5.204  -6.146
  222   2HG   GLN  26           HG3      GLN  26   4.339  -4.701  -4.941
  223   1HE2  GLN  26          HE22      GLN  26   5.897  -6.165  -8.081
  224   2HE2  GLN  26          HE21      GLN  26   4.544  -5.103  -7.876
  225    H    GLY  27           HN       GLY  27   4.429  -8.692  -3.060
  226   1HA   GLY  27           HA1      GLY  27   2.507 -10.141  -1.813
  227   2HA   GLY  27           HA2      GLY  27   4.206 -10.544  -1.691
  228    H    GLU  28           HN       GLU  28   5.048  -8.364  -0.049
  229    HA   GLU  28           HA       GLU  28   4.422  -9.359   2.521
  230   1HB   GLU  28           HB2      GLU  28   5.635  -6.660   1.871
  231   2HB   GLU  28           HB3      GLU  28   5.766  -7.547   3.385
  232   1HG   GLU  28           HG2      GLU  28   7.108  -9.246   2.344
  233   2HG   GLU  28           HG3      GLU  28   6.898  -8.499   0.762
  234    H    ILE  29           HN       ILE  29   3.309  -6.415   0.813
  235    HA   ILE  29           HA       ILE  29   1.698  -5.563   3.040
  236    HB   ILE  29           HB       ILE  29   2.031  -3.629   2.051
  237   1HG1  ILE  29          HG12      ILE  29   0.060  -4.506  -0.058
  238   2HG1  ILE  29          HG13      ILE  29  -0.356  -3.848   1.527
  239   1HG2  ILE  29          HG21      ILE  29   3.736  -4.589   0.578
  240   2HG2  ILE  29          HG22      ILE  29   2.489  -4.924  -0.621
  241   3HG2  ILE  29          HG23      ILE  29   2.862  -3.263  -0.183
  242   1HD1  ILE  29          HD11      ILE  29   1.315  -1.930   0.570
  243   2HD1  ILE  29          HD12      ILE  29   0.529  -2.491  -0.910
  244   3HD1  ILE  29          HD13      ILE  29  -0.444  -1.901   0.432
  245    H    VAL  30           HN       VAL  30   1.228  -7.730   0.405
  246    HA   VAL  30           HA       VAL  30  -1.623  -7.710   0.249
  247    HB   VAL  30           HB       VAL  30   0.283 -10.013  -0.301
  248   1HG1  VAL  30          HG11      VAL  30  -2.580  -9.584  -1.132
  249   2HG1  VAL  30          HG12      VAL  30  -1.542 -10.884  -1.709
  250   3HG1  VAL  30          HG13      VAL  30  -1.991 -10.801  -0.007
  251   1HG2  VAL  30          HG21      VAL  30   0.205  -7.635  -1.656
  252   2HG2  VAL  30          HG22      VAL  30   0.733  -9.169  -2.333
  253   3HG2  VAL  30          HG23      VAL  30  -0.918  -8.623  -2.576
  254    H    ALA  31           HN       ALA  31   0.701  -9.747   2.029
  255    HA   ALA  31           HA       ALA  31  -1.205 -11.203   3.536
  256   1HB   ALA  31           HB2      ALA  31   1.712 -10.648   4.081
  257   2HB   ALA  31           HB3      ALA  31   0.723 -11.778   5.002
  258   3HB   ALA  31           HB1      ALA  31   1.021 -12.066   3.288
  259    H    ALA  32           HN       ALA  32   0.449  -8.131   4.120
  260    HA   ALA  32           HA       ALA  32  -0.187  -7.758   6.825
  261   1HB   ALA  32           HB1      ALA  32   1.436  -6.396   5.547
  262   2HB   ALA  32           HB2      ALA  32   0.087  -5.594   4.741
  263   3HB   ALA  32           HB3      ALA  32   0.300  -5.429   6.488
  264    H    LEU  33           HN       LEU  33  -2.024  -6.738   3.916
  265    HA   LEU  33           HA       LEU  33  -4.138  -5.532   5.403
  266   1HB   LEU  33           HB2      LEU  33  -4.213  -6.515   2.549
  267   2HB   LEU  33           HB3      LEU  33  -5.389  -5.448   3.308
  268    HG   LEU  33           HG       LEU  33  -2.503  -4.625   3.198
  269   1HD1  LEU  33          HD12      LEU  33  -3.036  -5.283   0.918
  270   2HD1  LEU  33          HD13      LEU  33  -4.493  -4.285   0.959
  271   3HD1  LEU  33          HD11      LEU  33  -2.898  -3.530   1.061
  272   1HD2  LEU  33          HD23      LEU  33  -5.114  -3.125   3.210
  273   2HD2  LEU  33          HD21      LEU  33  -3.982  -3.286   4.548
  274   3HD2  LEU  33          HD22      LEU  33  -3.520  -2.381   3.110
  275    H    GLN  34           HN       GLN  34  -3.588  -8.806   4.187
  276    HA   GLN  34           HA       GLN  34  -6.191  -9.821   4.619
  277   1HB   GLN  34           HB2      GLN  34  -3.477 -11.147   4.621
  278   2HB   GLN  34           HB3      GLN  34  -4.954 -12.056   4.903
  279   1HG   GLN  34           HG2      GLN  34  -5.773 -11.617   2.743
  280   2HG   GLN  34           HG3      GLN  34  -4.577 -10.354   2.456
  281   1HE2  GLN  34          HE22      GLN  34  -3.302 -13.101   0.524
  282   2HE2  GLN  34          HE21      GLN  34  -4.512 -11.869   0.475
  283    H    GLU  35           HN       GLU  35  -3.421  -9.425   6.781
  284    HA   GLU  35           HA       GLU  35  -4.640 -10.645   9.068
  285   1HB   GLU  35           HB2      GLU  35  -2.262  -8.800   8.753
  286   2HB   GLU  35           HB3      GLU  35  -2.767  -9.443  10.307
  287   1HG   GLU  35           HG2      GLU  35  -2.120 -11.224   7.975
  288   2HG   GLU  35           HG3      GLU  35  -0.887 -10.643   9.090
  289    H    GLN  36           HN       GLN  36  -4.581  -7.393   7.726
  290    HA   GLN  36           HA       GLN  36  -5.489  -5.962  10.002
  291   1HB   GLN  36           HB2      GLN  36  -5.583  -5.380   7.047
  292   2HB   GLN  36           HB3      GLN  36  -6.271  -4.281   8.224
  293   1HG   GLN  36           HG2      GLN  36  -3.495  -5.134   8.749
  294   2HG   GLN  36           HG3      GLN  36  -3.729  -4.156   7.303
  295   1HE2  GLN  36          HE22      GLN  36  -4.012  -1.174   9.038
  296   2HE2  GLN  36          HE21      GLN  36  -3.855  -2.012   7.536
  297    H    GLY  37           HN       GLY  37  -7.282  -7.081   7.110
  298   1HA   GLY  37           HA1      GLY  37  -9.428  -8.268   8.229
  299   2HA   GLY  37           HA2      GLY  37  -9.817  -6.566   8.437
  300    H    PHE  38           HN       PHE  38  -8.118  -7.956   5.652
  301    HA   PHE  38           HA       PHE  38 -10.479  -7.329   3.976
  302   1HB   PHE  38           HB2      PHE  38  -7.576  -6.902   3.242
  303   2HB   PHE  38           HB3      PHE  38  -8.972  -6.525   2.235
  304    HD1  PHE  38           HD2      PHE  38 -10.477  -4.664   2.865
  305    HD2  PHE  38           HD1      PHE  38  -6.911  -5.468   5.031
  306    HE1  PHE  38           HE2      PHE  38 -10.595  -2.438   3.895
  307    HE2  PHE  38           HE1      PHE  38  -7.021  -3.252   6.064
  308    HZ   PHE  38           HZ       PHE  38  -8.856  -1.730   5.495
  309    H    ASP  39           HN       ASP  39 -11.293  -9.143   3.196
  310    HA   ASP  39           HA       ASP  39  -9.592 -11.454   2.666
  311   1HB   ASP  39           HB2      ASP  39 -11.791 -11.550   3.988
  312   2HB   ASP  39           HB3      ASP  39 -12.572 -11.391   2.427
  313    H    ASN  40           HN       ASN  40 -10.669  -8.904   0.977
  314    HA   ASN  40           HA       ASN  40 -10.810 -10.335  -1.586
  315   1HB   ASN  40           HB2      ASN  40 -12.787  -8.881  -0.838
  316   2HB   ASN  40           HB3      ASN  40 -11.742  -7.498  -1.129
  317   1HD2  ASN  40          HD22      ASN  40 -13.764  -7.977  -4.140
  318   2HD2  ASN  40          HD21      ASN  40 -14.020  -7.573  -2.477
  319    H    ILE  41           HN       ILE  41  -8.363 -10.311  -0.948
  320    HA   ILE  41           HA       ILE  41  -7.107  -8.114  -2.431
  321    HB   ILE  41           HB       ILE  41  -6.752  -8.704   0.434
  322   1HG1  ILE  41          HG12      ILE  41  -7.492  -6.538  -0.731
  323   2HG1  ILE  41          HG13      ILE  41  -6.322  -6.403   0.577
  324   1HG2  ILE  41          HG23      ILE  41  -4.304  -8.287  -1.273
  325   2HG2  ILE  41          HG21      ILE  41  -4.358  -8.064   0.475
  326   3HG2  ILE  41          HG22      ILE  41  -4.652  -9.661  -0.214
  327   1HD1  ILE  41          HD12      ILE  41  -5.317  -6.628  -2.213
  328   2HD1  ILE  41          HD13      ILE  41  -6.004  -5.097  -1.667
  329   3HD1  ILE  41          HD11      ILE  41  -4.622  -5.794  -0.818
  330    H    ASN  42           HN       ASN  42  -5.167  -8.636  -3.423
  331    HA   ASN  42           HA       ASN  42  -3.922 -11.196  -3.143
  332   1HB   ASN  42           HB2      ASN  42  -4.229 -11.924  -5.510
  333   2HB   ASN  42           HB3      ASN  42  -5.722 -11.951  -4.589
  334   1HD2  ASN  42          HD22      ASN  42  -7.412  -9.959  -6.841
  335   2HD2  ASN  42          HD21      ASN  42  -7.437 -11.088  -5.528
  336    H    GLN  43           HN       GLN  43  -2.124 -11.387  -4.922
  337    HA   GLN  43           HA       GLN  43  -0.400  -9.220  -4.598
  338   1HB   GLN  43           HB2      GLN  43  -0.035 -11.748  -5.409
  339   2HB   GLN  43           HB3      GLN  43   0.052 -10.955  -6.976
  340   1HG   GLN  43           HG2      GLN  43   1.770  -9.395  -5.880
  341   2HG   GLN  43           HG3      GLN  43   1.822 -10.577  -4.571
  342   1HE2  GLN  43          HE22      GLN  43   3.458 -13.065  -6.474
  343   2HE2  GLN  43          HE21      GLN  43   2.342 -12.796  -5.178
  344    H    SER  44           HN       SER  44  -2.389 -10.040  -7.437
  345    HA   SER  44           HA       SER  44  -1.510  -8.010  -9.137
  346   1HB   SER  44           HB2      SER  44  -4.320  -8.972  -9.208
  347   2HB   SER  44           HB3      SER  44  -3.233  -8.637 -10.530
  348    HG   SER  44           HG       SER  44  -3.091 -10.854  -8.760
  349    H    LYS  45           HN       LYS  45  -4.209  -8.066  -6.854
  350    HA   LYS  45           HA       LYS  45  -5.260  -5.509  -7.389
  351   1HB   LYS  45           HB2      LYS  45  -6.191  -7.502  -5.969
  352   2HB   LYS  45           HB3      LYS  45  -5.341  -6.739  -4.637
  353   1HG   LYS  45           HG2      LYS  45  -6.877  -5.118  -4.433
  354   2HG   LYS  45           HG3      LYS  45  -7.032  -4.907  -6.179
  355   1HD   LYS  45           HD2      LYS  45  -8.654  -6.538  -6.375
  356   2HD   LYS  45           HD3      LYS  45  -8.150  -7.368  -4.903
  357   1HE   LYS  45           HE2      LYS  45 -10.308  -6.263  -4.611
  358   2HE   LYS  45           HE3      LYS  45  -9.080  -5.586  -3.541
  359   1HZ   LYS  45           HZ2      LYS  45  -9.567  -4.306  -6.148
  360   2HZ   LYS  45           HZ1      LYS  45 -10.658  -4.031  -4.871
  361   3HZ   LYS  45           HZ3      LYS  45  -9.016  -3.619  -4.688
  362    H    VAL  46           HN       VAL  46  -2.673  -6.568  -5.256
  363    HA   VAL  46           HA       VAL  46  -2.234  -4.060  -3.933
  364    HB   VAL  46           HB       VAL  46  -0.733  -6.649  -4.089
  365   1HG1  VAL  46          HG13      VAL  46   0.995  -4.923  -4.138
  366   2HG1  VAL  46          HG11      VAL  46   0.260  -4.157  -2.723
  367   3HG1  VAL  46          HG12      VAL  46   0.967  -5.762  -2.592
  368   1HG2  VAL  46          HG23      VAL  46  -2.475  -5.225  -2.187
  369   2HG2  VAL  46          HG21      VAL  46  -2.203  -6.950  -2.397
  370   3HG2  VAL  46          HG22      VAL  46  -1.062  -5.982  -1.465
  371    H    SER  47           HN       SER  47  -0.620  -5.773  -6.614
  372    HA   SER  47           HA       SER  47   1.319  -3.792  -7.154
  373   1HB   SER  47           HB2      SER  47   0.108  -6.039  -8.747
  374   2HB   SER  47           HB3      SER  47   1.257  -4.931  -9.494
  375    HG   SER  47           HG       SER  47   2.099  -6.940  -8.456
  376    H    ARG  48           HN       ARG  48  -2.007  -4.207  -8.251
  377    HA   ARG  48           HA       ARG  48  -1.971  -2.146 -10.230
  378   1HB   ARG  48           HB2      ARG  48  -4.153  -3.651  -8.814
  379   2HB   ARG  48           HB3      ARG  48  -4.543  -2.267  -9.825
  380   1HG   ARG  48           HG2      ARG  48  -3.685  -3.311 -11.764
  381   2HG   ARG  48           HG3      ARG  48  -2.915  -4.590 -10.821
  382   1HD   ARG  48           HD2      ARG  48  -4.953  -5.380 -11.917
  383   2HD   ARG  48           HD3      ARG  48  -5.086  -5.447 -10.159
  384    HE   ARG  48           HE       ARG  48  -6.142  -2.999 -11.191
  385   1HH1  ARG  48          HH12      ARG  48  -6.851  -6.409 -10.834
  386   2HH1  ARG  48          HH11      ARG  48  -8.581  -6.181 -10.837
  387   1HH2  ARG  48          HH22      ARG  48  -8.418  -2.687 -11.200
  388   2HH2  ARG  48          HH21      ARG  48  -9.464  -4.068 -11.053
  389    H    MET  49           HN       MET  49  -2.849  -2.236  -6.792
  390    HA   MET  49           HA       MET  49  -3.760   0.456  -6.649
  391   1HB   MET  49           HB2      MET  49  -2.988  -1.610  -4.627
  392   2HB   MET  49           HB3      MET  49  -3.152   0.062  -4.110
  393   1HG   MET  49           HG2      MET  49  -5.446   0.026  -5.190
  394   2HG   MET  49           HG3      MET  49  -5.251  -1.721  -5.288
  395   1HE   MET  49           HE2      MET  49  -3.998  -2.786  -2.781
  396   2HE   MET  49           HE3      MET  49  -5.349  -2.914  -1.659
  397   3HE   MET  49           HE1      MET  49  -5.566  -3.355  -3.352
  398    H    LEU  50           HN       LEU  50  -0.572  -1.043  -6.325
  399    HA   LEU  50           HA       LEU  50   0.830   1.197  -5.301
  400   1HB   LEU  50           HB2      LEU  50   1.627  -1.247  -6.853
  401   2HB   LEU  50           HB3      LEU  50   2.791   0.049  -6.662
  402    HG   LEU  50           HG       LEU  50   1.450  -0.980  -4.220
  403   1HD1  LEU  50          HD13      LEU  50   3.381  -2.535  -5.873
  404   2HD1  LEU  50          HD11      LEU  50   3.423  -2.659  -4.114
  405   3HD1  LEU  50          HD12      LEU  50   1.958  -3.089  -4.991
  406   1HD2  LEU  50          HD23      LEU  50   4.087   0.215  -4.894
  407   2HD2  LEU  50          HD21      LEU  50   2.874   0.744  -3.727
  408   3HD2  LEU  50          HD22      LEU  50   3.855  -0.681  -3.398
  409    H    THR  51           HN       THR  51   0.200   0.109  -8.628
  410    HA   THR  51           HA       THR  51   1.501   2.298  -9.901
  411    HB   THR  51           HB       THR  51  -0.672   0.552 -11.083
  412    HG1  THR  51           HG1      THR  51   0.739  -0.927 -10.337
  413   1HG2  THR  51          HG23      THR  51   1.111   2.514 -12.199
  414   2HG2  THR  51          HG22      THR  51   1.407   0.928 -12.910
  415   3HG2  THR  51          HG21      THR  51  -0.211   1.630 -12.958
  416    H    LYS  52           HN       LYS  52  -1.928   1.592  -9.200
  417    HA   LYS  52           HA       LYS  52  -3.109   3.840 -10.346
  418   1HB   LYS  52           HB2      LYS  52  -4.357   1.877  -9.546
  419   2HB   LYS  52           HB3      LYS  52  -3.975   2.297  -7.884
  420   1HG   LYS  52           HG2      LYS  52  -5.247   4.517  -9.245
  421   2HG   LYS  52           HG3      LYS  52  -6.230   3.056  -9.347
  422   1HD   LYS  52           HD2      LYS  52  -5.867   2.803  -6.840
  423   2HD   LYS  52           HD3      LYS  52  -5.238   4.451  -6.864
  424   1HE   LYS  52           HE2      LYS  52  -7.997   3.576  -7.724
  425   2HE   LYS  52           HE3      LYS  52  -7.591   4.430  -6.237
  426   1HZ   LYS  52           HZ1      LYS  52  -6.811   6.308  -7.591
  427   2HZ   LYS  52           HZ3      LYS  52  -7.279   5.479  -9.008
  428   3HZ   LYS  52           HZ2      LYS  52  -8.454   5.957  -7.872
  429    H    PHE  53           HN       PHE  53  -2.096   3.412  -6.941
  430    HA   PHE  53           HA       PHE  53  -2.683   6.134  -6.255
  431   1HB   PHE  53           HB2      PHE  53  -1.234   3.923  -4.770
  432   2HB   PHE  53           HB3      PHE  53  -1.523   5.515  -4.086
  433    HD1  PHE  53           HD2      PHE  53  -4.225   6.178  -4.726
  434    HD2  PHE  53           HD1      PHE  53  -2.587   2.371  -3.769
  435    HE1  PHE  53           HE2      PHE  53  -6.429   5.425  -3.935
  436    HE2  PHE  53           HE1      PHE  53  -4.771   1.620  -2.969
  437    HZ   PHE  53           HZ       PHE  53  -6.703   3.136  -3.055
  438    H    GLY  54           HN       GLY  54  -0.088   4.796  -7.943
  439   1HA   GLY  54           HA1      GLY  54   1.870   5.756  -8.705
  440   2HA   GLY  54           HA2      GLY  54   1.370   7.255  -7.939
  441    H    ALA  55           HN       ALA  55   2.354   4.003  -6.860
  442    HA   ALA  55           HA       ALA  55   3.615   5.025  -4.493
  443   1HB   ALA  55           HB3      ALA  55   2.504   2.849  -4.522
  444   2HB   ALA  55           HB1      ALA  55   3.702   2.252  -5.673
  445   3HB   ALA  55           HB2      ALA  55   4.200   2.706  -4.041
  446    H    VAL  56           HN       VAL  56   5.751   5.050  -3.940
  447    HA   VAL  56           HA       VAL  56   7.742   4.790  -6.111
  448    HB   VAL  56           HB       VAL  56   8.988   6.651  -5.186
  449   1HG1  VAL  56          HG11      VAL  56   6.891   6.993  -6.687
  450   2HG1  VAL  56          HG12      VAL  56   6.178   7.694  -5.232
  451   3HG1  VAL  56          HG13      VAL  56   7.641   8.394  -5.922
  452   1HG2  VAL  56          HG22      VAL  56   7.168   6.319  -2.893
  453   2HG2  VAL  56          HG23      VAL  56   8.824   6.922  -2.949
  454   3HG2  VAL  56          HG21      VAL  56   7.478   7.986  -3.357
  455    H    ARG  57           HN       ARG  57   9.978   4.352  -5.273
  456    HA   ARG  57           HA       ARG  57   9.898   2.664  -2.841
  457   1HB   ARG  57           HB2      ARG  57  11.549   2.224  -5.345
  458   2HB   ARG  57           HB3      ARG  57  11.603   1.243  -3.890
  459   1HG   ARG  57           HG2      ARG  57   9.060   0.921  -4.322
  460   2HG   ARG  57           HG3      ARG  57   9.473   1.406  -5.965
  461   1HD   ARG  57           HD2      ARG  57   9.479  -1.060  -5.621
  462   2HD   ARG  57           HD3      ARG  57  11.024  -0.416  -6.180
  463    HE   ARG  57           HE       ARG  57  11.138  -0.502  -3.403
  464   1HH1  ARG  57          HH12      ARG  57  10.835  -2.763  -6.044
  465   2HH1  ARG  57          HH11      ARG  57  11.631  -4.061  -5.201
  466   1HH2  ARG  57          HH22      ARG  57  12.193  -2.213  -2.280
  467   2HH2  ARG  57          HH21      ARG  57  12.396  -3.750  -3.068
  468    H    THR  58           HN       THR  58  11.498   2.981  -1.310
  469    HA   THR  58           HA       THR  58  13.894   4.462  -1.966
  470    HB   THR  58           HB       THR  58  11.942   6.172  -1.663
  471    HG1  THR  58           HG1      THR  58  13.927   7.016  -1.811
  472   1HG2  THR  58          HG23      THR  58  11.337   5.103   0.633
  473   2HG2  THR  58          HG22      THR  58  12.667   6.099   1.221
  474   3HG2  THR  58          HG21      THR  58  11.290   6.853   0.416
  475    H    ARG  59           HN       ARG  59  15.217   4.949   0.058
  476    HA   ARG  59           HA       ARG  59  15.278   2.572   1.700
  477   1HB   ARG  59           HB2      ARG  59  17.128   4.754   1.033
  478   2HB   ARG  59           HB3      ARG  59  17.230   4.236   2.704
  479   1HG   ARG  59           HG2      ARG  59  17.375   1.854   1.738
  480   2HG   ARG  59           HG3      ARG  59  17.742   2.658   0.211
  481   1HD   ARG  59           HD2      ARG  59  19.267   3.096   2.775
  482   2HD   ARG  59           HD3      ARG  59  19.743   1.964   1.513
  483    HE   ARG  59           HE       ARG  59  19.369   4.782   0.774
  484   1HH1  ARG  59          HH12      ARG  59  21.594   2.158   1.472
  485   2HH1  ARG  59          HH11      ARG  59  22.961   2.961   0.746
  486   1HH2  ARG  59          HH22      ARG  59  21.133   5.819  -0.174
  487   2HH2  ARG  59          HH21      ARG  59  22.696   5.051  -0.196
  488    H    ASN  60           HN       ASN  60  14.482   2.367   3.701
  489    HA   ASN  60           HA       ASN  60  13.177   4.656   4.941
  490   1HB   ASN  60           HB2      ASN  60  12.033   3.099   6.354
  491   2HB   ASN  60           HB3      ASN  60  11.998   2.472   4.718
  492   1HD2  ASN  60          HD22      ASN  60  12.675  -0.360   6.931
  493   2HD2  ASN  60          HD21      ASN  60  11.396   0.769   6.641
  494    H    ALA  61           HN       ALA  61  13.273   3.974   7.627
  495    HA   ALA  61           HA       ALA  61  15.581   5.275   8.500
  496   1HB   ALA  61           HB3      ALA  61  13.642   3.547  10.042
  497   2HB   ALA  61           HB1      ALA  61  14.869   4.575  10.784
  498   3HB   ALA  61           HB2      ALA  61  13.579   5.296   9.823
  499    H    LYS  62           HN       LYS  62  15.167   1.898   7.781
  500    HA   LYS  62           HA       LYS  62  17.680   1.241   9.180
  501   1HB   LYS  62           HB2      LYS  62  15.378  -0.510   8.321
  502   2HB   LYS  62           HB3      LYS  62  16.951  -1.155   8.769
  503   1HG   LYS  62           HG2      LYS  62  15.780  -1.330  10.737
  504   2HG   LYS  62           HG3      LYS  62  16.632   0.199  10.947
  505   1HD   LYS  62           HD2      LYS  62  14.691   1.467  10.543
  506   2HD   LYS  62           HD3      LYS  62  13.827   0.088   9.857
  507   1HE   LYS  62           HE2      LYS  62  14.766   0.042  12.703
  508   2HE   LYS  62           HE3      LYS  62  13.276   0.880  12.271
  509   1HZ   LYS  62           HZ3      LYS  62  12.520  -1.236  11.232
  510   2HZ   LYS  62           HZ2      LYS  62  13.886  -2.008  11.895
  511   3HZ   LYS  62           HZ1      LYS  62  12.712  -1.318  12.922
  512    H    MET  63           HN       MET  63  17.334   2.527   6.478
  513    HA   MET  63           HA       MET  63  18.412   2.530   4.504
  514   1HB   MET  63           HB2      MET  63  20.130   0.193   5.254
  515   2HB   MET  63           HB3      MET  63  20.556   1.672   4.422
  516   1HG   MET  63           HG2      MET  63  20.144   1.282   7.352
  517   2HG   MET  63           HG3      MET  63  21.624   1.718   6.511
  518   1HE   MET  63           HE2      MET  63  22.519   3.984   6.727
  519   2HE   MET  63           HE3      MET  63  21.826   4.102   5.114
  520   3HE   MET  63           HE1      MET  63  21.611   5.421   6.260
  521    H    GLU  64           HN       GLU  64  16.180   0.454   5.072
  522    HA   GLU  64           HA       GLU  64  16.742  -1.560   3.043
  523   1HB   GLU  64           HB2      GLU  64  14.217  -1.153   4.662
  524   2HB   GLU  64           HB3      GLU  64  14.647  -2.570   3.711
  525   1HG   GLU  64           HG2      GLU  64  16.745  -2.564   5.341
  526   2HG   GLU  64           HG3      GLU  64  15.622  -1.696   6.381
  527    H    MET  65           HN       MET  65  16.144  -1.368   0.962
  528    HA   MET  65           HA       MET  65  14.724   0.931   0.007
  529   1HB   MET  65           HB2      MET  65  15.488  -1.604  -1.464
  530   2HB   MET  65           HB3      MET  65  14.928  -0.112  -2.209
  531   1HG   MET  65           HG2      MET  65  17.008   0.811  -0.756
  532   2HG   MET  65           HG3      MET  65  17.550  -0.820  -1.117
  533   1HE   MET  65           HE1      MET  65  16.117   2.398  -2.367
  534   2HE   MET  65           HE2      MET  65  17.805   2.820  -2.653
  535   3HE   MET  65           HE3      MET  65  16.709   2.599  -4.017
  536    H    VAL  66           HN       VAL  66  12.746   0.826   1.074
  537    HA   VAL  66           HA       VAL  66  10.961  -1.387   0.349
  538    HB   VAL  66           HB       VAL  66   9.523  -0.631   2.244
  539   1HG1  VAL  66          HG12      VAL  66  11.139  -2.438   2.557
  540   2HG1  VAL  66          HG13      VAL  66  12.372  -1.259   3.006
  541   3HG1  VAL  66          HG11      VAL  66  10.948  -1.477   4.027
  542   1HG2  VAL  66          HG22      VAL  66  11.780   1.322   2.686
  543   2HG2  VAL  66          HG23      VAL  66  10.065   1.672   2.460
  544   3HG2  VAL  66          HG21      VAL  66  10.614   0.879   3.932
  545    H    TYR  67           HN       TYR  67   8.589  -0.675   0.425
  546    HA   TYR  67           HA       TYR  67   8.175   1.215  -1.710
  547   1HB   TYR  67           HB2      TYR  67   6.558  -0.878  -0.343
  548   2HB   TYR  67           HB3      TYR  67   5.663   0.506  -0.940
  549    HD1  TYR  67           HD1      TYR  67   6.970   1.184  -3.423
  550    HD2  TYR  67           HD2      TYR  67   6.088  -2.628  -1.759
  551    HE1  TYR  67           HE1      TYR  67   6.953   0.223  -5.674
  552    HE2  TYR  67           HE2      TYR  67   6.018  -3.617  -4.010
  553    HH   TYR  67           HH       TYR  67   7.038  -3.074  -6.289
  554    H    CYS  68           HN       CYS  68   6.919   3.034  -1.591
  555    HA   CYS  68           HA       CYS  68   5.801   3.969   0.885
  556   1HB   CYS  68           HB2      CYS  68   7.171   6.151   0.720
  557   2HB   CYS  68           HB3      CYS  68   7.966   4.742   1.404
  558    HG   CYS  68           HG       CYS  68   8.847   4.601  -1.301
  559    H    LEU  69           HN       LEU  69   4.913   6.252   0.521
  560    HA   LEU  69           HA       LEU  69   4.132   6.650  -2.279
  561   1HB   LEU  69           HB2      LEU  69   2.351   6.266   0.067
  562   2HB   LEU  69           HB3      LEU  69   1.889   7.535  -1.042
  563    HG   LEU  69           HG       LEU  69   2.439   4.752  -1.965
  564   1HD1  LEU  69          HD13      LEU  69  -0.191   5.888  -1.061
  565   2HD1  LEU  69          HD11      LEU  69   0.025   4.329  -1.860
  566   3HD1  LEU  69          HD12      LEU  69   0.713   4.603  -0.260
  567   1HD2  LEU  69          HD22      LEU  69   2.391   6.481  -3.677
  568   2HD2  LEU  69          HD23      LEU  69   1.122   5.277  -3.859
  569   3HD2  LEU  69          HD21      LEU  69   0.735   6.865  -3.198
  570    HA   PRO  70           HA       PRO  70   5.006  10.919  -1.552
  571   1HB   PRO  70           HB2      PRO  70   2.654  11.998  -2.753
  572   2HB   PRO  70           HB3      PRO  70   4.228  11.774  -3.487
  573   1HG   PRO  70           HG2      PRO  70   1.792  10.305  -3.927
  574   2HG   PRO  70           HG3      PRO  70   3.335  10.154  -4.777
  575   1HD   PRO  70           HD2      PRO  70   2.185   8.340  -2.888
  576   2HD   PRO  70           HD3      PRO  70   3.747   8.226  -3.720
  577    H    ALA  71           HN       ALA  71   3.138  12.930  -1.274
  578    HA   ALA  71           HA       ALA  71   2.412  12.914   1.468
  579   1HB   ALA  71           HB1      ALA  71   2.964  14.927   0.087
  580   2HB   ALA  71           HB2      ALA  71   1.408  14.739  -0.718
  581   3HB   ALA  71           HB3      ALA  71   1.472  15.080   1.015
  582    H    GLU  72           HN       GLU  72  -0.099  13.733   1.840
  583    HA   GLU  72           HA       GLU  72  -1.644  11.397   1.348
  584   1HB   GLU  72           HB2      GLU  72  -1.814  12.962   3.365
  585   2HB   GLU  72           HB3      GLU  72  -2.771  14.019   2.338
  586   1HG   GLU  72           HG2      GLU  72  -4.077  12.491   3.831
  587   2HG   GLU  72           HG3      GLU  72  -4.490  12.408   2.120
  588    H    LEU  73           HN       LEU  73  -2.244  10.938  -0.661
  589    HA   LEU  73           HA       LEU  73  -3.379  13.021  -2.402
  590   1HB   LEU  73           HB2      LEU  73  -1.430  11.840  -3.297
  591   2HB   LEU  73           HB3      LEU  73  -2.218  10.296  -3.069
  592    HG   LEU  73           HG       LEU  73  -3.617  12.283  -4.802
  593   1HD1  LEU  73          HD12      LEU  73  -1.280  12.531  -5.502
  594   2HD1  LEU  73          HD13      LEU  73  -1.173  10.782  -5.735
  595   3HD1  LEU  73          HD11      LEU  73  -2.260  11.743  -6.739
  596   1HD2  LEU  73          HD23      LEU  73  -3.325   9.318  -4.626
  597   2HD2  LEU  73          HD21      LEU  73  -4.781  10.304  -4.741
  598   3HD2  LEU  73          HD22      LEU  73  -3.771  10.052  -6.165
  599    H    GLY  74           HN       GLY  74  -5.508  13.089  -1.935
  600   1HA   GLY  74           HA1      GLY  74  -7.120  10.728  -2.519
  601   2HA   GLY  74           HA2      GLY  74  -7.250  11.350  -0.877
  602    H    VAL  75           HN       VAL  75  -8.773  11.357  -3.706
  603    HA   VAL  75           HA       VAL  75  -9.415  14.090  -4.142
  604    HB   VAL  75           HB       VAL  75 -11.415  13.072  -5.435
  605   1HG1  VAL  75          HG22      VAL  75  -8.506  12.797  -6.065
  606   2HG1  VAL  75          HG23      VAL  75  -9.701  12.144  -7.187
  607   3HG1  VAL  75          HG21      VAL  75  -9.722  13.856  -6.778
  608   1HG2  VAL  75          HG12      VAL  75 -11.095  10.847  -4.119
  609   2HG2  VAL  75          HG13      VAL  75 -11.510  10.793  -5.831
  610   3HG2  VAL  75          HG11      VAL  75  -9.844  10.525  -5.319
  611    HA   PRO  76           HA       PRO  76 -12.548  15.029  -1.160
  612   1HB   PRO  76           HB2      PRO  76 -14.295  16.087  -3.316
  613   2HB   PRO  76           HB3      PRO  76 -13.624  16.904  -1.901
  614   1HG   PRO  76           HG2      PRO  76 -12.673  17.375  -4.355
  615   2HG   PRO  76           HG3      PRO  76 -11.603  17.333  -2.943
  616   1HD   PRO  76           HD2      PRO  76 -12.045  15.256  -5.053
  617   2HD   PRO  76           HD3      PRO  76 -10.538  15.766  -4.267
  618    H    THR  77           HN       THR  77 -14.168  13.963  -0.178
  619    HA   THR  77           HA       THR  77 -16.235  12.601  -1.742
  620    HB   THR  77           HB       THR  77 -14.504  10.892  -1.500
  621    HG1  THR  77           HG1      THR  77 -15.987   9.482  -1.147
  622   1HG2  THR  77          HG22      THR  77 -13.373  11.735   0.549
  623   2HG2  THR  77          HG21      THR  77 -14.716  11.095   1.497
  624   3HG2  THR  77          HG23      THR  77 -13.704  10.004   0.559
  625    H    THR  78           HN       THR  78 -16.928  14.754  -0.594
  626    HA   THR  78           HA       THR  78 -17.953  14.187   2.113
  627    HB   THR  78           HB       THR  78 -18.299  16.623   2.287
  628    HG1  THR  78           HG1      THR  78 -18.450  16.809  -0.136
  629   1HG2  THR  78          HG22      THR  78 -16.085  15.629   2.910
  630   2HG2  THR  78          HG21      THR  78 -15.491  16.141   1.330
  631   3HG2  THR  78          HG23      THR  78 -16.058  17.343   2.489
   
  No H/Q in entry =         631
  Start of MODEL   21
    1   1H    MET   1           HT2      MET   1 -24.134  -8.808   7.435
    2   2H    MET   1           HT1      MET   1 -25.491  -8.012   6.742
    3   3H    MET   1           HT3      MET   1 -23.918  -7.331   6.581
    4    HA   MET   1           HA       MET   1 -24.560  -6.085   8.241
    5   1HB   MET   1           HB2      MET   1 -26.372  -6.659   9.782
    6   2HB   MET   1           HB3      MET   1 -26.866  -6.959   8.124
    7   1HG   MET   1           HG2      MET   1 -27.545  -8.953   8.816
    8   2HG   MET   1           HG3      MET   1 -25.845  -9.396   8.934
    9   1HE   MET   1           HE3      MET   1 -28.218 -10.605  10.134
   10   2HE   MET   1           HE1      MET   1 -27.505 -11.143  11.655
   11   3HE   MET   1           HE2      MET   1 -28.841  -9.995  11.667
   12    H    ARG   2           HN       ARG   2 -24.575  -6.340  10.855
   13    HA   ARG   2           HA       ARG   2 -23.469  -6.965  12.744
   14   1HB   ARG   2           HB2      ARG   2 -23.683  -9.390  11.562
   15   2HB   ARG   2           HB3      ARG   2 -21.936  -9.219  11.573
   16   1HG   ARG   2           HG2      ARG   2 -23.286  -8.596  14.120
   17   2HG   ARG   2           HG3      ARG   2 -23.380 -10.275  13.588
   18   1HD   ARG   2           HD2      ARG   2 -21.083 -10.570  13.659
   19   2HD   ARG   2           HD3      ARG   2 -20.755  -8.836  13.574
   20    HE   ARG   2           HE       ARG   2 -22.160  -9.431  15.959
   21   1HH1  ARG   2          HH12      ARG   2 -19.002  -9.856  14.498
   22   2HH1  ARG   2          HH11      ARG   2 -18.168  -9.887  16.023
   23   1HH2  ARG   2          HH22      ARG   2 -21.046  -9.469  17.962
   24   2HH2  ARG   2          HH21      ARG   2 -19.312  -9.671  17.977
   25    H    SER   3           HN       SER   3 -21.341  -7.727  10.049
   26    HA   SER   3           HA       SER   3 -19.358  -5.784  11.073
   27   1HB   SER   3           HB2      SER   3 -18.998  -8.402   9.606
   28   2HB   SER   3           HB3      SER   3 -17.758  -7.148   9.520
   29    HG   SER   3           HG       SER   3 -17.081  -7.990  11.315
   30    H    SER   4           HN       SER   4 -20.369  -4.029  10.004
   31    HA   SER   4           HA       SER   4 -20.971  -4.071   7.198
   32   1HB   SER   4           HB2      SER   4 -20.530  -1.522   8.739
   33   2HB   SER   4           HB3      SER   4 -21.683  -1.860   7.454
   34    HG   SER   4           HG       SER   4 -21.767  -2.816  10.137
   35    H    ALA   5           HN       ALA   5 -19.312  -4.444   5.848
   36    HA   ALA   5           HA       ALA   5 -16.651  -3.474   6.376
   37   1HB   ALA   5           HB3      ALA   5 -17.018  -5.692   5.429
   38   2HB   ALA   5           HB1      ALA   5 -17.728  -4.969   3.985
   39   3HB   ALA   5           HB2      ALA   5 -16.025  -4.696   4.362
   40    H    LYS   6           HN       LYS   6 -16.147  -1.428   6.002
   41    HA   LYS   6           HA       LYS   6 -17.230   0.043   3.692
   42   1HB   LYS   6           HB2      LYS   6 -15.398   0.943   5.946
   43   2HB   LYS   6           HB3      LYS   6 -15.998   1.975   4.661
   44   1HG   LYS   6           HG2      LYS   6 -17.485   2.526   6.279
   45   2HG   LYS   6           HG3      LYS   6 -18.342   1.157   5.575
   46   1HD   LYS   6           HD2      LYS   6 -18.441   0.817   7.902
   47   2HD   LYS   6           HD3      LYS   6 -17.200  -0.286   7.320
   48   1HE   LYS   6           HE2      LYS   6 -16.483   0.789   9.368
   49   2HE   LYS   6           HE3      LYS   6 -15.457   1.276   8.026
   50   1HZ   LYS   6           HZ2      LYS   6 -17.757   2.972   8.694
   51   2HZ   LYS   6           HZ1      LYS   6 -16.400   3.012   9.724
   52   3HZ   LYS   6           HZ3      LYS   6 -16.227   3.401   8.075
   53    H    GLN   7           HN       GLN   7 -16.107  -0.352   1.808
   54    HA   GLN   7           HA       GLN   7 -13.518  -1.532   1.887
   55   1HB   GLN   7           HB2      GLN   7 -15.394  -1.740   0.061
   56   2HB   GLN   7           HB3      GLN   7 -14.545  -0.378  -0.663
   57   1HG   GLN   7           HG2      GLN   7 -13.472  -2.159  -1.652
   58   2HG   GLN   7           HG3      GLN   7 -12.426  -1.819  -0.270
   59   1HE2  GLN   7          HE22      GLN   7 -12.876  -5.456  -0.367
   60   2HE2  GLN   7          HE21      GLN   7 -12.205  -4.239  -1.400
   61    H    GLU   8           HN       GLU   8 -14.422   1.739   2.049
   62    HA   GLU   8           HA       GLU   8 -12.120   2.892   0.781
   63   1HB   GLU   8           HB2      GLU   8 -12.782   4.838   2.447
   64   2HB   GLU   8           HB3      GLU   8 -13.752   4.488   1.028
   65   1HG   GLU   8           HG2      GLU   8 -14.445   3.138   3.596
   66   2HG   GLU   8           HG3      GLU   8 -14.834   4.845   3.405
   67    H    GLU   9           HN       GLU   9 -12.253   0.847   3.274
   68    HA   GLU   9           HA       GLU   9 -10.232   2.110   5.005
   69   1HB   GLU   9           HB2      GLU   9 -11.987  -0.315   5.326
   70   2HB   GLU   9           HB3      GLU   9 -10.539  -0.128   6.303
   71   1HG   GLU   9           HG2      GLU   9 -11.420   2.091   7.039
   72   2HG   GLU   9           HG3      GLU   9 -12.928   1.702   6.210
   73    H    LEU  10           HN       LEU  10 -10.723  -0.486   2.699
   74    HA   LEU  10           HA       LEU  10  -8.212  -1.798   2.986
   75   1HB   LEU  10           HB2      LEU  10  -9.801  -3.025   1.781
   76   2HB   LEU  10           HB3      LEU  10 -10.295  -1.644   0.826
   77    HG   LEU  10           HG       LEU  10  -8.205  -1.775  -0.467
   78   1HD1  LEU  10          HD11      LEU  10  -7.466  -3.610   1.665
   79   2HD1  LEU  10          HD12      LEU  10  -7.161  -4.268   0.060
   80   3HD1  LEU  10          HD13      LEU  10  -6.447  -2.724   0.528
   81   1HD2  LEU  10          HD23      LEU  10 -10.238  -3.876  -0.368
   82   2HD2  LEU  10          HD21      LEU  10  -9.614  -2.962  -1.741
   83   3HD2  LEU  10          HD22      LEU  10  -8.743  -4.372  -1.152
   84    H    VAL  11           HN       VAL  11  -9.381   1.000   1.231
   85    HA   VAL  11           HA       VAL  11  -6.932   1.476  -0.210
   86    HB   VAL  11           HB       VAL  11  -9.193   3.430   0.341
   87   1HG1  VAL  11          HG12      VAL  11  -6.736   3.541  -1.297
   88   2HG1  VAL  11          HG13      VAL  11  -8.210   4.114  -2.082
   89   3HG1  VAL  11          HG11      VAL  11  -7.679   4.842  -0.568
   90   1HG2  VAL  11          HG21      VAL  11  -9.028   1.123  -1.462
   91   2HG2  VAL  11          HG22      VAL  11 -10.434   1.983  -0.837
   92   3HG2  VAL  11          HG23      VAL  11  -9.555   2.622  -2.227
   93    H    LYS  12           HN       LYS  12  -8.536   3.175   2.543
   94    HA   LYS  12           HA       LYS  12  -6.469   4.954   3.063
   95   1HB   LYS  12           HB2      LYS  12  -8.362   5.637   4.084
   96   2HB   LYS  12           HB3      LYS  12  -8.851   4.010   4.518
   97   1HG   LYS  12           HG2      LYS  12  -6.565   5.336   5.911
   98   2HG   LYS  12           HG3      LYS  12  -8.235   5.663   6.369
   99   1HD   LYS  12           HD2      LYS  12  -7.878   2.852   6.039
  100   2HD   LYS  12           HD3      LYS  12  -6.617   3.455   7.096
  101   1HE   LYS  12           HE2      LYS  12  -9.591   3.549   7.492
  102   2HE   LYS  12           HE3      LYS  12  -8.361   2.887   8.562
  103   1HZ   LYS  12           HZ3      LYS  12  -7.616   5.443   8.470
  104   2HZ   LYS  12           HZ2      LYS  12  -9.306   5.608   8.303
  105   3HZ   LYS  12           HZ1      LYS  12  -8.657   4.795   9.653
  106    H    ALA  13           HN       ALA  13  -6.848   1.630   4.106
  107    HA   ALA  13           HA       ALA  13  -4.653   1.610   5.942
  108   1HB   ALA  13           HB2      ALA  13  -5.966  -0.663   4.447
  109   2HB   ALA  13           HB3      ALA  13  -4.783  -0.844   5.742
  110   3HB   ALA  13           HB1      ALA  13  -6.346  -0.113   6.076
  111    H    PHE  14           HN       PHE  14  -5.028   0.645   2.534
  112    HA   PHE  14           HA       PHE  14  -2.501  -0.281   1.914
  113   1HB   PHE  14           HB2      PHE  14  -4.566  -0.182   0.420
  114   2HB   PHE  14           HB3      PHE  14  -4.146   1.458   0.075
  115    HD1  PHE  14           HD1      PHE  14  -3.192  -2.029  -0.433
  116    HD2  PHE  14           HD2      PHE  14  -2.280   2.029  -1.351
  117    HE1  PHE  14           HE1      PHE  14  -1.707  -2.768  -2.243
  118    HE2  PHE  14           HE2      PHE  14  -0.797   1.283  -3.170
  119    HZ   PHE  14           HZ       PHE  14  -0.516  -1.119  -3.608
  120    H    LYS  15           HN       LYS  15  -3.626   3.058   1.382
  121    HA   LYS  15           HA       LYS  15  -1.223   4.273   0.744
  122   1HB   LYS  15           HB2      LYS  15  -3.276   5.680   2.453
  123   2HB   LYS  15           HB3      LYS  15  -2.262   6.356   1.189
  124   1HG   LYS  15           HG2      LYS  15  -4.281   4.288   0.470
  125   2HG   LYS  15           HG3      LYS  15  -4.819   5.919   0.807
  126   1HD   LYS  15           HD2      LYS  15  -2.549   6.012  -0.935
  127   2HD   LYS  15           HD3      LYS  15  -3.692   4.832  -1.560
  128   1HE   LYS  15           HE2      LYS  15  -3.918   7.277  -2.357
  129   2HE   LYS  15           HE3      LYS  15  -5.375   6.416  -1.857
  130   1HZ   LYS  15           HZ1      LYS  15  -3.960   8.015   0.166
  131   2HZ   LYS  15           HZ3      LYS  15  -4.878   8.831  -1.012
  132   3HZ   LYS  15           HZ2      LYS  15  -5.621   7.682   0.005
  133    H    ALA  16           HN       ALA  16  -2.605   3.831   3.994
  134    HA   ALA  16           HA       ALA  16  -0.637   5.199   5.463
  135   1HB   ALA  16           HB1      ALA  16  -2.821   4.593   6.382
  136   2HB   ALA  16           HB2      ALA  16  -2.362   2.891   6.366
  137   3HB   ALA  16           HB3      ALA  16  -1.507   4.024   7.411
  138    H    LEU  17           HN       LEU  17  -0.921   1.715   4.734
  139    HA   LEU  17           HA       LEU  17   1.299   0.724   6.073
  140   1HB   LEU  17           HB2      LEU  17   0.077  -0.129   3.440
  141   2HB   LEU  17           HB3      LEU  17   1.330  -1.043   4.241
  142    HG   LEU  17           HG       LEU  17  -1.529  -0.703   4.986
  143   1HD1  LEU  17          HD12      LEU  17   0.363  -3.037   4.918
  144   2HD1  LEU  17          HD13      LEU  17  -1.327  -3.125   5.413
  145   3HD1  LEU  17          HD11      LEU  17  -0.915  -2.670   3.759
  146   1HD2  LEU  17          HD23      LEU  17   0.691  -1.246   6.940
  147   2HD2  LEU  17          HD21      LEU  17  -0.566  -0.010   7.032
  148   3HD2  LEU  17          HD22      LEU  17  -0.982  -1.711   7.227
  149    H    LEU  18           HN       LEU  18   1.135   2.036   2.786
  150    HA   LEU  18           HA       LEU  18   3.853   1.647   2.100
  151   1HB   LEU  18           HB2      LEU  18   1.841   3.668   1.096
  152   2HB   LEU  18           HB3      LEU  18   3.411   3.395   0.367
  153    HG   LEU  18           HG       LEU  18   1.197   1.354   0.558
  154   1HD1  LEU  18          HD12      LEU  18   0.783   3.288  -0.952
  155   2HD1  LEU  18          HD13      LEU  18   2.244   2.844  -1.838
  156   3HD1  LEU  18          HD11      LEU  18   0.879   1.729  -1.779
  157   1HD2  LEU  18          HD21      LEU  18   4.021   1.121   0.011
  158   2HD2  LEU  18          HD22      LEU  18   2.809  -0.142   0.204
  159   3HD2  LEU  18          HD23      LEU  18   3.060   0.606  -1.375
  160    H    LYS  19           HN       LYS  19   2.146   4.583   3.153
  161    HA   LYS  19           HA       LYS  19   4.343   6.286   3.202
  162   1HB   LYS  19           HB2      LYS  19   1.749   6.406   4.744
  163   2HB   LYS  19           HB3      LYS  19   2.901   7.734   4.645
  164   1HG   LYS  19           HG2      LYS  19   2.607   7.914   2.272
  165   2HG   LYS  19           HG3      LYS  19   1.628   6.443   2.223
  166   1HD   LYS  19           HD2      LYS  19  -0.138   7.821   2.323
  167   2HD   LYS  19           HD3      LYS  19   0.246   7.963   4.037
  168   1HE   LYS  19           HE2      LYS  19   1.333   9.801   1.903
  169   2HE   LYS  19           HE3      LYS  19  -0.104  10.142   2.867
  170   1HZ   LYS  19           HZ1      LYS  19   1.349   9.882   4.872
  171   2HZ   LYS  19           HZ3      LYS  19   2.696   9.866   3.823
  172   3HZ   LYS  19           HZ2      LYS  19   1.692  11.244   3.905
  173    H    GLU  20           HN       GLU  20   3.527   3.830   5.493
  174    HA   GLU  20           HA       GLU  20   4.978   4.939   7.728
  175   1HB   GLU  20           HB2      GLU  20   3.776   2.241   7.134
  176   2HB   GLU  20           HB3      GLU  20   4.830   2.463   8.524
  177   1HG   GLU  20           HG2      GLU  20   3.347   4.054   9.498
  178   2HG   GLU  20           HG3      GLU  20   2.365   4.117   8.037
  179    H    GLU  21           HN       GLU  21   5.844   3.249   4.854
  180    HA   GLU  21           HA       GLU  21   7.779   2.483   3.973
  181   1HB   GLU  21           HB2      GLU  21   8.994   4.224   6.130
  182   2HB   GLU  21           HB3      GLU  21   9.917   3.461   4.845
  183   1HG   GLU  21           HG2      GLU  21   8.746   4.719   3.172
  184   2HG   GLU  21           HG3      GLU  21   7.660   5.401   4.376
  185    H    LYS  22           HN       LYS  22   7.041   0.358   4.791
  186    HA   LYS  22           HA       LYS  22   9.137  -0.851   6.447
  187   1HB   LYS  22           HB2      LYS  22   7.452  -2.191   7.680
  188   2HB   LYS  22           HB3      LYS  22   7.380  -0.472   8.025
  189   1HG   LYS  22           HG2      LYS  22   5.550  -0.691   6.019
  190   2HG   LYS  22           HG3      LYS  22   5.379  -2.240   6.839
  191   1HD   LYS  22           HD2      LYS  22   5.433   0.290   8.442
  192   2HD   LYS  22           HD3      LYS  22   3.959  -0.182   7.599
  193   1HE   LYS  22           HE2      LYS  22   4.007  -0.959   9.943
  194   2HE   LYS  22           HE3      LYS  22   3.881  -2.278   8.781
  195   1HZ   LYS  22           HZ2      LYS  22   6.523  -1.467   9.844
  196   2HZ   LYS  22           HZ1      LYS  22   5.510  -2.500  10.736
  197   3HZ   LYS  22           HZ3      LYS  22   6.041  -2.968   9.188
  198    H    PHE  23           HN       PHE  23   6.530  -1.314   4.120
  199    HA   PHE  23           HA       PHE  23   7.267  -4.079   3.610
  200   1HB   PHE  23           HB2      PHE  23   5.247  -2.359   2.162
  201   2HB   PHE  23           HB3      PHE  23   5.347  -4.118   2.142
  202    HD1  PHE  23           HD1      PHE  23   5.013  -5.366   4.340
  203    HD2  PHE  23           HD2      PHE  23   4.021  -1.252   3.845
  204    HE1  PHE  23           HE1      PHE  23   3.603  -5.464   6.354
  205    HE2  PHE  23           HE2      PHE  23   2.627  -1.348   5.863
  206    HZ   PHE  23           HZ       PHE  23   2.404  -3.457   7.115
  207    H    SER  24           HN       SER  24   8.578  -4.758   2.057
  208    HA   SER  24           HA       SER  24   9.724  -2.808   0.206
  209   1HB   SER  24           HB2      SER  24  11.159  -5.180  -0.112
  210   2HB   SER  24           HB3      SER  24  11.623  -3.797   0.870
  211    HG   SER  24           HG       SER  24   9.959  -5.864   1.874
  212    H    SER  25           HN       SER  25   7.680  -5.616   0.127
  213    HA   SER  25           HA       SER  25   7.694  -5.485  -2.828
  214   1HB   SER  25           HB2      SER  25   7.123  -8.041  -2.634
  215   2HB   SER  25           HB3      SER  25   8.798  -7.509  -2.506
  216    HG   SER  25           HG       SER  25   8.234  -7.442  -0.106
  217    H    GLN  26           HN       GLN  26   5.721  -6.438  -3.827
  218    HA   GLN  26           HA       GLN  26   3.348  -5.233  -2.830
  219   1HB   GLN  26           HB2      GLN  26   3.545  -7.470  -4.848
  220   2HB   GLN  26           HB3      GLN  26   2.245  -6.337  -4.661
  221   1HG   GLN  26           HG2      GLN  26   3.171  -5.030  -6.178
  222   2HG   GLN  26           HG3      GLN  26   4.527  -4.771  -5.088
  223   1HE2  GLN  26          HE22      GLN  26   5.605  -6.125  -8.440
  224   2HE2  GLN  26          HE21      GLN  26   4.521  -4.856  -7.985
  225    H    GLY  27           HN       GLY  27   4.193  -8.691  -3.165
  226   1HA   GLY  27           HA1      GLY  27   2.106  -9.874  -1.812
  227   2HA   GLY  27           HA2      GLY  27   3.731 -10.522  -1.844
  228    H    GLU  28           HN       GLU  28   4.725  -8.081  -0.382
  229    HA   GLU  28           HA       GLU  28   4.534  -9.064   2.275
  230   1HB   GLU  28           HB2      GLU  28   6.263  -7.461   0.880
  231   2HB   GLU  28           HB3      GLU  28   5.427  -6.275   1.849
  232   1HG   GLU  28           HG2      GLU  28   6.120  -7.334   3.877
  233   2HG   GLU  28           HG3      GLU  28   6.739  -8.729   2.993
  234    H    ILE  29           HN       ILE  29   3.218  -6.161   0.638
  235    HA   ILE  29           HA       ILE  29   1.655  -5.391   2.930
  236    HB   ILE  29           HB       ILE  29   1.937  -3.430   1.980
  237   1HG1  ILE  29          HG12      ILE  29  -0.038  -4.273  -0.142
  238   2HG1  ILE  29          HG13      ILE  29  -0.462  -3.687   1.470
  239   1HG2  ILE  29          HG21      ILE  29   3.650  -4.255   0.486
  240   2HG2  ILE  29          HG22      ILE  29   2.426  -4.713  -0.695
  241   3HG2  ILE  29          HG23      ILE  29   2.684  -3.017  -0.308
  242   1HD1  ILE  29          HD12      ILE  29   1.191  -1.712   0.564
  243   2HD1  ILE  29          HD13      ILE  29   0.363  -2.211  -0.914
  244   3HD1  ILE  29          HD11      ILE  29  -0.570  -1.686   0.490
  245    H    VAL  30           HN       VAL  30   1.186  -7.516   0.271
  246    HA   VAL  30           HA       VAL  30  -1.655  -7.579   0.123
  247    HB   VAL  30           HB       VAL  30   0.389  -9.758  -0.412
  248   1HG1  VAL  30          HG12      VAL  30  -2.586  -9.780  -0.682
  249   2HG1  VAL  30          HG13      VAL  30  -1.580 -10.752  -1.756
  250   3HG1  VAL  30          HG11      VAL  30  -1.518 -11.013  -0.013
  251   1HG2  VAL  30          HG22      VAL  30   0.270  -7.663  -1.890
  252   2HG2  VAL  30          HG23      VAL  30   0.242  -9.238  -2.672
  253   3HG2  VAL  30          HG21      VAL  30  -1.249  -8.333  -2.464
  254    H    ALA  31           HN       ALA  31   0.677  -9.615   1.888
  255    HA   ALA  31           HA       ALA  31  -1.214 -11.050   3.428
  256   1HB   ALA  31           HB2      ALA  31   1.148 -11.758   2.993
  257   2HB   ALA  31           HB3      ALA  31   1.670 -10.546   4.163
  258   3HB   ALA  31           HB1      ALA  31   0.643 -11.886   4.677
  259    H    ALA  32           HN       ALA  32   0.459  -7.982   3.938
  260    HA   ALA  32           HA       ALA  32  -0.071  -7.620   6.672
  261   1HB   ALA  32           HB1      ALA  32   1.495  -6.247   5.295
  262   2HB   ALA  32           HB2      ALA  32   0.092  -5.419   4.618
  263   3HB   ALA  32           HB3      ALA  32   0.433  -5.308   6.345
  264    H    LEU  33           HN       LEU  33  -2.003  -6.516   3.844
  265    HA   LEU  33           HA       LEU  33  -4.077  -5.424   5.479
  266   1HB   LEU  33           HB2      LEU  33  -4.068  -6.106   2.539
  267   2HB   LEU  33           HB3      LEU  33  -5.411  -5.317   3.363
  268    HG   LEU  33           HG       LEU  33  -2.622  -4.147   3.294
  269   1HD1  LEU  33          HD11      LEU  33  -4.758  -4.089   1.259
  270   2HD1  LEU  33          HD12      LEU  33  -4.031  -2.527   1.663
  271   3HD1  LEU  33          HD13      LEU  33  -3.017  -3.859   1.092
  272   1HD2  LEU  33          HD22      LEU  33  -5.323  -3.012   3.985
  273   2HD2  LEU  33          HD23      LEU  33  -3.978  -3.297   5.091
  274   3HD2  LEU  33          HD21      LEU  33  -3.844  -2.068   3.837
  275    H    GLN  34           HN       GLN  34  -3.471  -8.631   4.155
  276    HA   GLN  34           HA       GLN  34  -6.061  -9.711   4.516
  277   1HB   GLN  34           HB2      GLN  34  -3.316 -10.941   4.419
  278   2HB   GLN  34           HB3      GLN  34  -4.710 -11.926   4.839
  279   1HG   GLN  34           HG2      GLN  34  -5.770 -11.348   2.713
  280   2HG   GLN  34           HG3      GLN  34  -4.371 -10.361   2.285
  281   1HE2  GLN  34          HE22      GLN  34  -3.241 -13.198   0.575
  282   2HE2  GLN  34          HE21      GLN  34  -3.905 -11.603   0.459
  283    H    GLU  35           HN       GLU  35  -3.294  -9.425   6.723
  284    HA   GLU  35           HA       GLU  35  -4.534 -10.741   8.942
  285   1HB   GLU  35           HB2      GLU  35  -2.191  -8.816   8.867
  286   2HB   GLU  35           HB3      GLU  35  -2.668  -9.773  10.263
  287   1HG   GLU  35           HG2      GLU  35  -2.132 -11.815   9.143
  288   2HG   GLU  35           HG3      GLU  35  -1.843 -10.966   7.628
  289    H    GLN  36           HN       GLN  36  -4.403  -7.424   7.804
  290    HA   GLN  36           HA       GLN  36  -5.234  -6.039  10.092
  291   1HB   GLN  36           HB2      GLN  36  -5.494  -5.487   7.149
  292   2HB   GLN  36           HB3      GLN  36  -6.172  -4.390   8.331
  293   1HG   GLN  36           HG2      GLN  36  -3.418  -5.092   8.946
  294   2HG   GLN  36           HG3      GLN  36  -3.578  -4.385   7.341
  295   1HE2  GLN  36          HE22      GLN  36  -3.951  -1.145   8.511
  296   2HE2  GLN  36          HE21      GLN  36  -3.736  -2.231   7.185
  297    H    GLY  37           HN       GLY  37  -7.287  -6.961   7.309
  298   1HA   GLY  37           HA1      GLY  37  -9.353  -8.166   8.670
  299   2HA   GLY  37           HA2      GLY  37  -9.700  -6.443   8.775
  300    H    PHE  38           HN       PHE  38  -8.093  -7.777   5.966
  301    HA   PHE  38           HA       PHE  38 -10.596  -7.405   4.417
  302   1HB   PHE  38           HB2      PHE  38  -7.770  -6.928   3.432
  303   2HB   PHE  38           HB3      PHE  38  -9.272  -6.560   2.585
  304    HD1  PHE  38           HD2      PHE  38 -10.800  -4.798   3.527
  305    HD2  PHE  38           HD1      PHE  38  -6.864  -5.404   5.019
  306    HE1  PHE  38           HE2      PHE  38 -10.850  -2.583   4.592
  307    HE2  PHE  38           HE1      PHE  38  -6.908  -3.205   6.079
  308    HZ   PHE  38           HZ       PHE  38  -8.892  -1.791   5.863
  309    H    ASP  39           HN       ASP  39 -11.062  -8.847   2.781
  310    HA   ASP  39           HA       ASP  39  -9.394 -11.226   2.479
  311   1HB   ASP  39           HB2      ASP  39 -11.229 -11.630   4.197
  312   2HB   ASP  39           HB3      ASP  39 -12.394 -11.369   2.908
  313    H    ASN  40           HN       ASN  40  -9.167 -11.703   0.502
  314    HA   ASN  40           HA       ASN  40  -9.769 -12.155  -1.755
  315   1HB   ASN  40           HB2      ASN  40 -12.162 -11.329  -1.344
  316   2HB   ASN  40           HB3      ASN  40 -11.559  -9.716  -1.723
  317   1HD2  ASN  40          HD22      ASN  40 -12.394 -10.284  -5.029
  318   2HD2  ASN  40          HD21      ASN  40 -12.562  -9.325  -3.596
  319    H    ILE  41           HN       ILE  41  -7.893 -10.497  -0.197
  320    HA   ILE  41           HA       ILE  41  -7.072  -8.481  -2.168
  321    HB   ILE  41           HB       ILE  41  -6.554  -8.820   0.765
  322   1HG1  ILE  41          HG12      ILE  41  -7.224  -6.549   0.898
  323   2HG1  ILE  41          HG13      ILE  41  -6.942  -6.288  -0.819
  324   1HG2  ILE  41          HG23      ILE  41  -4.648  -7.573  -1.181
  325   2HG2  ILE  41          HG21      ILE  41  -4.795  -6.955   0.462
  326   3HG2  ILE  41          HG22      ILE  41  -4.314  -8.628   0.194
  327   1HD1  ILE  41          HD12      ILE  41  -9.087  -8.098   0.222
  328   2HD1  ILE  41          HD13      ILE  41  -9.336  -6.390  -0.131
  329   3HD1  ILE  41          HD11      ILE  41  -8.874  -7.496  -1.425
  330    H    ASN  42           HN       ASN  42  -5.645  -9.120  -3.580
  331    HA   ASN  42           HA       ASN  42  -3.646 -11.176  -2.849
  332   1HB   ASN  42           HB2      ASN  42  -3.932 -12.099  -5.192
  333   2HB   ASN  42           HB3      ASN  42  -5.291 -12.354  -4.113
  334   1HD2  ASN  42          HD22      ASN  42  -7.570 -10.782  -6.185
  335   2HD2  ASN  42          HD21      ASN  42  -7.240 -11.805  -4.828
  336    H    GLN  43           HN       GLN  43  -2.142 -11.388  -4.996
  337    HA   GLN  43           HA       GLN  43  -0.392  -9.232  -4.915
  338   1HB   GLN  43           HB2      GLN  43   0.395 -11.387  -5.596
  339   2HB   GLN  43           HB3      GLN  43  -0.731 -11.452  -6.939
  340   1HG   GLN  43           HG2      GLN  43   1.503 -11.070  -7.733
  341   2HG   GLN  43           HG3      GLN  43   0.500  -9.669  -8.074
  342   1HE2  GLN  43          HE22      GLN  43   3.484  -9.406  -5.277
  343   2HE2  GLN  43          HE21      GLN  43   2.751 -10.931  -5.643
  344    H    SER  44           HN       SER  44  -2.726 -10.044  -7.512
  345    HA   SER  44           HA       SER  44  -2.192  -7.937  -9.220
  346   1HB   SER  44           HB2      SER  44  -4.981  -8.886  -8.921
  347   2HB   SER  44           HB3      SER  44  -4.071  -8.550 -10.372
  348    HG   SER  44           HG       SER  44  -2.990 -10.472 -10.166
  349    H    LYS  45           HN       LYS  45  -4.511  -8.076  -6.564
  350    HA   LYS  45           HA       LYS  45  -5.711  -5.558  -6.761
  351   1HB   LYS  45           HB2      LYS  45  -6.492  -7.318  -5.249
  352   2HB   LYS  45           HB3      LYS  45  -5.012  -7.229  -4.317
  353   1HG   LYS  45           HG2      LYS  45  -6.860  -4.875  -4.506
  354   2HG   LYS  45           HG3      LYS  45  -7.136  -6.186  -3.366
  355   1HD   LYS  45           HD2      LYS  45  -5.485  -5.515  -1.991
  356   2HD   LYS  45           HD3      LYS  45  -4.393  -5.157  -3.305
  357   1HE   LYS  45           HE2      LYS  45  -5.286  -3.223  -1.807
  358   2HE   LYS  45           HE3      LYS  45  -5.151  -2.998  -3.549
  359   1HZ   LYS  45           HZ1      LYS  45  -7.696  -4.074  -2.998
  360   2HZ   LYS  45           HZ3      LYS  45  -7.441  -2.759  -1.961
  361   3HZ   LYS  45           HZ2      LYS  45  -7.309  -2.548  -3.639
  362    H    VAL  46           HN       VAL  46  -2.715  -6.515  -5.158
  363    HA   VAL  46           HA       VAL  46  -2.146  -3.930  -4.065
  364    HB   VAL  46           HB       VAL  46  -0.684  -6.551  -4.115
  365   1HG1  VAL  46          HG12      VAL  46   1.054  -4.833  -4.213
  366   2HG1  VAL  46          HG13      VAL  46   0.305  -4.002  -2.851
  367   3HG1  VAL  46          HG11      VAL  46   0.999  -5.599  -2.634
  368   1HG2  VAL  46          HG22      VAL  46  -2.206  -4.918  -2.118
  369   2HG2  VAL  46          HG23      VAL  46  -2.385  -6.618  -2.532
  370   3HG2  VAL  46          HG21      VAL  46  -1.005  -6.083  -1.575
  371    H    SER  47           HN       SER  47  -0.782  -5.817  -6.791
  372    HA   SER  47           HA       SER  47   1.181  -3.891  -7.472
  373   1HB   SER  47           HB2      SER  47   0.994  -5.098  -9.788
  374   2HB   SER  47           HB3      SER  47   1.602  -5.979  -8.389
  375    HG   SER  47           HG       SER  47  -0.274  -7.073  -8.224
  376    H    ARG  48           HN       ARG  48  -2.219  -4.241  -8.309
  377    HA   ARG  48           HA       ARG  48  -2.245  -2.275 -10.378
  378   1HB   ARG  48           HB2      ARG  48  -4.380  -3.623  -8.752
  379   2HB   ARG  48           HB3      ARG  48  -4.786  -2.219  -9.729
  380   1HG   ARG  48           HG2      ARG  48  -3.693  -3.454 -11.675
  381   2HG   ARG  48           HG3      ARG  48  -3.765  -4.885 -10.649
  382   1HD   ARG  48           HD2      ARG  48  -6.300  -3.407 -10.784
  383   2HD   ARG  48           HD3      ARG  48  -5.753  -4.009 -12.344
  384    HE   ARG  48           HE       ARG  48  -5.961  -6.208 -11.583
  385   1HH1  ARG  48          HH12      ARG  48  -6.914  -3.908  -9.102
  386   2HH1  ARG  48          HH11      ARG  48  -7.746  -5.103  -8.145
  387   1HH2  ARG  48          HH22      ARG  48  -7.055  -7.765 -10.328
  388   2HH2  ARG  48          HH21      ARG  48  -7.829  -7.286  -8.842
  389    H    MET  49           HN       MET  49  -3.179  -2.143  -6.922
  390    HA   MET  49           HA       MET  49  -3.780   0.606  -6.906
  391   1HB   MET  49           HB2      MET  49  -3.167  -1.401  -4.773
  392   2HB   MET  49           HB3      MET  49  -3.173   0.303  -4.347
  393   1HG   MET  49           HG2      MET  49  -5.486   0.371  -5.471
  394   2HG   MET  49           HG3      MET  49  -5.435  -1.382  -5.332
  395   1HE   MET  49           HE2      MET  49  -7.404   0.655  -4.454
  396   2HE   MET  49           HE3      MET  49  -8.003  -0.163  -3.012
  397   3HE   MET  49           HE1      MET  49  -7.215   1.412  -2.875
  398    H    LEU  50           HN       LEU  50  -0.681  -1.066  -6.488
  399    HA   LEU  50           HA       LEU  50   0.793   1.132  -5.502
  400   1HB   LEU  50           HB2      LEU  50   1.502  -1.438  -6.831
  401   2HB   LEU  50           HB3      LEU  50   2.736  -0.194  -6.778
  402    HG   LEU  50           HG       LEU  50   1.328  -0.870  -4.248
  403   1HD1  LEU  50          HD11      LEU  50   1.862  -3.061  -5.206
  404   2HD1  LEU  50          HD12      LEU  50   3.539  -2.555  -5.400
  405   3HD1  LEU  50          HD13      LEU  50   2.843  -2.711  -3.785
  406   1HD2  LEU  50          HD23      LEU  50   4.008   0.162  -5.030
  407   2HD2  LEU  50          HD21      LEU  50   2.814   0.842  -3.921
  408   3HD2  LEU  50          HD22      LEU  50   3.753  -0.572  -3.449
  409    H    THR  51           HN       THR  51   0.362  -0.038  -8.847
  410    HA   THR  51           HA       THR  51   1.829   2.081 -10.067
  411    HB   THR  51           HB       THR  51  -0.360   0.553 -11.472
  412    HG1  THR  51           HG1      THR  51   0.661  -1.129 -10.538
  413   1HG2  THR  51          HG22      THR  51   0.943   2.255 -12.718
  414   2HG2  THR  51          HG21      THR  51   2.398   1.310 -12.407
  415   3HG2  THR  51          HG23      THR  51   1.088   0.625 -13.370
  416    H    LYS  52           HN       LYS  52  -1.603   1.557  -9.384
  417    HA   LYS  52           HA       LYS  52  -2.703   3.756 -10.713
  418   1HB   LYS  52           HB2      LYS  52  -3.927   1.790  -9.728
  419   2HB   LYS  52           HB3      LYS  52  -3.704   2.509  -8.139
  420   1HG   LYS  52           HG2      LYS  52  -4.866   4.571  -9.450
  421   2HG   LYS  52           HG3      LYS  52  -5.576   3.203 -10.307
  422   1HD   LYS  52           HD2      LYS  52  -7.054   3.050  -8.640
  423   2HD   LYS  52           HD3      LYS  52  -5.736   2.477  -7.624
  424   1HE   LYS  52           HE2      LYS  52  -6.817   4.283  -6.490
  425   2HE   LYS  52           HE3      LYS  52  -5.240   4.848  -7.035
  426   1HZ   LYS  52           HZ1      LYS  52  -7.515   5.306  -8.816
  427   2HZ   LYS  52           HZ3      LYS  52  -7.454   6.226  -7.384
  428   3HZ   LYS  52           HZ2      LYS  52  -6.165   6.298  -8.495
  429    H    PHE  53           HN       PHE  53  -1.675   3.492  -7.300
  430    HA   PHE  53           HA       PHE  53  -2.261   6.260  -6.754
  431   1HB   PHE  53           HB2      PHE  53  -0.955   4.066  -5.138
  432   2HB   PHE  53           HB3      PHE  53  -1.111   5.709  -4.532
  433    HD1  PHE  53           HD2      PHE  53  -3.689   6.615  -5.152
  434    HD2  PHE  53           HD1      PHE  53  -2.498   2.648  -4.164
  435    HE1  PHE  53           HE2      PHE  53  -5.966   6.122  -4.375
  436    HE2  PHE  53           HE1      PHE  53  -4.770   2.159  -3.384
  437    HZ   PHE  53           HZ       PHE  53  -6.512   3.896  -3.497
  438    H    GLY  54           HN       GLY  54   0.522   4.539  -7.902
  439   1HA   GLY  54           HA1      GLY  54   2.482   5.427  -8.770
  440   2HA   GLY  54           HA2      GLY  54   1.968   7.019  -8.234
  441    H    ALA  55           HN       ALA  55   2.804   3.918  -6.668
  442    HA   ALA  55           HA       ALA  55   4.001   5.236  -4.408
  443   1HB   ALA  55           HB1      ALA  55   2.793   3.042  -4.322
  444   2HB   ALA  55           HB2      ALA  55   4.187   2.317  -5.124
  445   3HB   ALA  55           HB3      ALA  55   4.370   3.053  -3.532
  446    H    VAL  56           HN       VAL  56   6.191   5.055  -3.732
  447    HA   VAL  56           HA       VAL  56   8.173   4.514  -5.859
  448    HB   VAL  56           HB       VAL  56   9.503   6.410  -5.155
  449   1HG1  VAL  56          HG11      VAL  56   7.557   6.650  -6.798
  450   2HG1  VAL  56          HG12      VAL  56   6.733   7.502  -5.489
  451   3HG1  VAL  56          HG13      VAL  56   8.255   8.125  -6.124
  452   1HG2  VAL  56          HG22      VAL  56   7.425   6.704  -3.016
  453   2HG2  VAL  56          HG23      VAL  56   9.182   6.735  -2.877
  454   3HG2  VAL  56          HG21      VAL  56   8.328   8.108  -3.576
  455    H    ARG  57           HN       ARG  57  10.034   3.447  -5.215
  456    HA   ARG  57           HA       ARG  57  10.035   2.382  -2.484
  457   1HB   ARG  57           HB2      ARG  57  11.767   1.667  -4.838
  458   2HB   ARG  57           HB3      ARG  57  11.822   0.876  -3.271
  459   1HG   ARG  57           HG2      ARG  57   9.366   0.356  -3.632
  460   2HG   ARG  57           HG3      ARG  57   9.609   0.837  -5.308
  461   1HD   ARG  57           HD2      ARG  57  10.431  -1.596  -3.875
  462   2HD   ARG  57           HD3      ARG  57  10.032  -1.361  -5.579
  463    HE   ARG  57           HE       ARG  57  12.466  -0.127  -5.210
  464   1HH1  ARG  57          HH12      ARG  57  11.179  -3.364  -4.845
  465   2HH1  ARG  57          HH11      ARG  57  12.705  -4.142  -5.186
  466   1HH2  ARG  57          HH22      ARG  57  14.427  -1.108  -5.653
  467   2HH2  ARG  57          HH21      ARG  57  14.565  -2.846  -5.660
  468    H    THR  58           HN       THR  58  11.212   3.227  -0.966
  469    HA   THR  58           HA       THR  58  13.536   4.919  -1.631
  470    HB   THR  58           HB       THR  58  12.256   5.919   0.735
  471    HG1  THR  58           HG1      THR  58  10.334   4.955  -0.060
  472   1HG2  THR  58          HG23      THR  58  13.391   6.987  -1.560
  473   2HG2  THR  58          HG22      THR  58  11.720   7.546  -1.566
  474   3HG2  THR  58          HG21      THR  58  12.750   7.862  -0.171
  475    H    ARG  59           HN       ARG  59  15.085   5.228   0.064
  476    HA   ARG  59           HA       ARG  59  15.553   2.838   1.640
  477   1HB   ARG  59           HB2      ARG  59  17.142   4.973   0.560
  478   2HB   ARG  59           HB3      ARG  59  17.405   4.928   2.293
  479   1HG   ARG  59           HG2      ARG  59  17.705   2.344   1.825
  480   2HG   ARG  59           HG3      ARG  59  18.098   2.931   0.211
  481   1HD   ARG  59           HD2      ARG  59  19.389   4.042   2.694
  482   2HD   ARG  59           HD3      ARG  59  20.029   2.642   1.845
  483    HE   ARG  59           HE       ARG  59  20.442   4.034  -0.076
  484   1HH1  ARG  59          HH12      ARG  59  19.605   5.805   2.850
  485   2HH1  ARG  59          HH11      ARG  59  20.321   7.290   2.292
  486   1HH2  ARG  59          HH22      ARG  59  21.376   5.978  -0.790
  487   2HH2  ARG  59          HH21      ARG  59  21.312   7.394   0.223
  488    H    ASN  60           HN       ASN  60  15.043   2.589   3.769
  489    HA   ASN  60           HA       ASN  60  13.839   4.846   5.176
  490   1HB   ASN  60           HB2      ASN  60  12.865   3.290   6.677
  491   2HB   ASN  60           HB3      ASN  60  12.699   2.608   5.070
  492   1HD2  ASN  60          HD22      ASN  60  13.621  -0.154   7.230
  493   2HD2  ASN  60          HD21      ASN  60  12.291   0.920   6.979
  494    H    ALA  61           HN       ALA  61  14.267   4.216   7.807
  495    HA   ALA  61           HA       ALA  61  16.571   5.598   8.442
  496   1HB   ALA  61           HB2      ALA  61  15.051   3.624  10.147
  497   2HB   ALA  61           HB3      ALA  61  16.250   4.767  10.750
  498   3HB   ALA  61           HB1      ALA  61  14.763   5.358  10.017
  499    H    LYS  62           HN       LYS  62  16.185   2.076   8.166
  500    HA   LYS  62           HA       LYS  62  19.019   1.717   8.855
  501   1HB   LYS  62           HB2      LYS  62  16.754  -0.267   8.684
  502   2HB   LYS  62           HB3      LYS  62  18.435  -0.708   8.953
  503   1HG   LYS  62           HG2      LYS  62  18.494   0.426  11.047
  504   2HG   LYS  62           HG3      LYS  62  16.925   1.187  10.745
  505   1HD   LYS  62           HD2      LYS  62  16.448  -0.557  12.233
  506   2HD   LYS  62           HD3      LYS  62  15.987  -1.190  10.653
  507   1HE   LYS  62           HE2      LYS  62  18.502  -2.057  10.695
  508   2HE   LYS  62           HE3      LYS  62  18.242  -1.958  12.433
  509   1HZ   LYS  62           HZ3      LYS  62  16.010  -3.221  11.297
  510   2HZ   LYS  62           HZ2      LYS  62  17.406  -3.966  10.661
  511   3HZ   LYS  62           HZ1      LYS  62  17.179  -3.880  12.351
  512    H    MET  63           HN       MET  63  18.217   2.755   6.242
  513    HA   MET  63           HA       MET  63  18.896   2.588   4.094
  514   1HB   MET  63           HB2      MET  63  20.645   0.236   4.762
  515   2HB   MET  63           HB3      MET  63  20.945   1.555   3.653
  516   1HG   MET  63           HG2      MET  63  21.077   1.632   6.632
  517   2HG   MET  63           HG3      MET  63  22.400   1.804   5.488
  518   1HE   MET  63           HE2      MET  63  22.159   3.633   3.514
  519   2HE   MET  63           HE3      MET  63  22.034   5.309   4.051
  520   3HE   MET  63           HE1      MET  63  23.270   4.253   4.737
  521    H    GLU  64           HN       GLU  64  16.691   0.660   5.101
  522    HA   GLU  64           HA       GLU  64  16.882  -1.471   3.100
  523   1HB   GLU  64           HB2      GLU  64  14.698  -0.920   5.127
  524   2HB   GLU  64           HB3      GLU  64  14.800  -2.326   4.079
  525   1HG   GLU  64           HG2      GLU  64  17.167  -2.574   5.246
  526   2HG   GLU  64           HG3      GLU  64  16.367  -1.647   6.514
  527    H    MET  65           HN       MET  65  15.980  -1.340   1.142
  528    HA   MET  65           HA       MET  65  14.529   1.035   0.352
  529   1HB   MET  65           HB2      MET  65  15.325  -1.442  -1.197
  530   2HB   MET  65           HB3      MET  65  14.512  -0.053  -1.904
  531   1HG   MET  65           HG2      MET  65  16.571   1.223  -0.801
  532   2HG   MET  65           HG3      MET  65  17.316  -0.362  -1.004
  533   1HE   MET  65           HE3      MET  65  15.903   2.754  -2.452
  534   2HE   MET  65           HE1      MET  65  16.168   2.670  -4.196
  535   3HE   MET  65           HE2      MET  65  14.802   1.823  -3.474
  536    H    VAL  66           HN       VAL  66  12.477   1.164   0.997
  537    HA   VAL  66           HA       VAL  66  10.701  -1.145   0.527
  538    HB   VAL  66           HB       VAL  66   9.351  -0.333   2.497
  539   1HG1  VAL  66          HG12      VAL  66  10.876  -2.276   2.607
  540   2HG1  VAL  66          HG13      VAL  66  12.178  -1.203   3.125
  541   3HG1  VAL  66          HG11      VAL  66  10.756  -1.420   4.144
  542   1HG2  VAL  66          HG23      VAL  66  11.813   1.364   2.956
  543   2HG2  VAL  66          HG21      VAL  66  10.154   1.922   2.736
  544   3HG2  VAL  66          HG22      VAL  66  10.601   1.022   4.185
  545    H    TYR  67           HN       TYR  67   8.489  -0.677   0.131
  546    HA   TYR  67           HA       TYR  67   8.043   1.390  -1.756
  547   1HB   TYR  67           HB2      TYR  67   6.361  -0.724  -0.454
  548   2HB   TYR  67           HB3      TYR  67   5.530   0.612  -1.228
  549    HD1  TYR  67           HD2      TYR  67   7.124   1.099  -3.629
  550    HD2  TYR  67           HD1      TYR  67   5.947  -2.559  -1.798
  551    HE1  TYR  67           HE2      TYR  67   7.251  -0.019  -5.805
  552    HE2  TYR  67           HE1      TYR  67   6.049  -3.694  -3.972
  553    HH   TYR  67           HH       TYR  67   5.970  -2.274  -6.792
  554    H    CYS  68           HN       CYS  68   7.206   3.367  -1.533
  555    HA   CYS  68           HA       CYS  68   5.824   4.145   0.927
  556   1HB   CYS  68           HB2      CYS  68   8.270   4.781   1.079
  557   2HB   CYS  68           HB3      CYS  68   8.004   5.867  -0.272
  558    HG   CYS  68           HG       CYS  68   7.322   6.425   2.612
  559    H    LEU  69           HN       LEU  69   4.903   6.401   0.643
  560    HA   LEU  69           HA       LEU  69   3.849   6.673  -2.104
  561   1HB   LEU  69           HB2      LEU  69   2.358   6.133   0.083
  562   2HB   LEU  69           HB3      LEU  69   2.375   7.881   0.181
  563    HG   LEU  69           HG       LEU  69   1.376   8.040  -2.041
  564   1HD1  LEU  69          HD13      LEU  69   2.129   5.226  -2.152
  565   2HD1  LEU  69          HD11      LEU  69   0.452   5.493  -2.623
  566   3HD1  LEU  69          HD12      LEU  69   1.750   6.344  -3.464
  567   1HD2  LEU  69          HD23      LEU  69   0.012   7.718   0.074
  568   2HD2  LEU  69          HD21      LEU  69  -0.794   7.392  -1.461
  569   3HD2  LEU  69          HD22      LEU  69  -0.220   6.055  -0.463
  570    HA   PRO  70           HA       PRO  70   5.771  10.735  -1.886
  571   1HB   PRO  70           HB2      PRO  70   4.870  11.763  -4.187
  572   2HB   PRO  70           HB3      PRO  70   6.029  10.434  -4.171
  573   1HG   PRO  70           HG2      PRO  70   3.075  10.357  -4.628
  574   2HG   PRO  70           HG3      PRO  70   4.364   9.493  -5.484
  575   1HD   PRO  70           HD2      PRO  70   2.808   8.414  -3.485
  576   2HD   PRO  70           HD3      PRO  70   4.415   7.812  -3.937
  577    H    ALA  71           HN       ALA  71   4.444  13.030  -2.888
  578    HA   ALA  71           HA       ALA  71   2.798  13.817  -0.733
  579   1HB   ALA  71           HB3      ALA  71   3.971  15.434  -2.156
  580   2HB   ALA  71           HB1      ALA  71   2.923  15.011  -3.510
  581   3HB   ALA  71           HB2      ALA  71   2.246  15.783  -2.075
  582    H    GLU  72           HN       GLU  72   0.697  13.381  -0.318
  583    HA   GLU  72           HA       GLU  72  -0.778  11.408  -1.342
  584   1HB   GLU  72           HB2      GLU  72  -1.862  14.009  -0.255
  585   2HB   GLU  72           HB3      GLU  72  -2.830  12.556  -0.494
  586   1HG   GLU  72           HG2      GLU  72  -1.058  11.394   0.975
  587   2HG   GLU  72           HG3      GLU  72  -0.595  13.026   1.452
  588    H    LEU  73           HN       LEU  73  -1.198  10.929  -3.359
  589    HA   LEU  73           HA       LEU  73  -2.047  12.997  -5.258
  590   1HB   LEU  73           HB2      LEU  73  -0.002  11.627  -5.726
  591   2HB   LEU  73           HB3      LEU  73  -1.013  10.199  -5.810
  592    HG   LEU  73           HG       LEU  73  -1.753  12.471  -7.594
  593   1HD1  LEU  73          HD13      LEU  73   0.810  10.944  -7.823
  594   2HD1  LEU  73          HD11      LEU  73  -0.047  11.487  -9.266
  595   3HD1  LEU  73          HD12      LEU  73   0.500  12.665  -8.074
  596   1HD2  LEU  73          HD22      LEU  73  -1.675   9.475  -7.839
  597   2HD2  LEU  73          HD23      LEU  73  -3.088  10.530  -7.775
  598   3HD2  LEU  73          HD21      LEU  73  -2.037  10.551  -9.188
  599    H    GLY  74           HN       GLY  74  -4.203  13.151  -5.040
  600   1HA   GLY  74           HA1      GLY  74  -6.085  11.897  -6.301
  601   2HA   GLY  74           HA2      GLY  74  -5.855  10.704  -5.038
  602    H    VAL  75           HN       VAL  75  -6.799  14.064  -5.655
  603    HA   VAL  75           HA       VAL  75  -8.129  14.140  -3.036
  604    HB   VAL  75           HB       VAL  75  -7.284  16.172  -2.912
  605   1HG1  VAL  75          HG21      VAL  75  -5.864  15.733  -4.954
  606   2HG1  VAL  75          HG22      VAL  75  -7.066  16.637  -5.865
  607   3HG1  VAL  75          HG23      VAL  75  -6.193  17.413  -4.555
  608   1HG2  VAL  75          HG12      VAL  75  -9.685  16.643  -3.299
  609   2HG2  VAL  75          HG13      VAL  75  -8.608  17.983  -3.678
  610   3HG2  VAL  75          HG11      VAL  75  -9.299  17.021  -4.975
  611    HA   PRO  76           HA       PRO  76 -11.816  15.069  -6.124
  612   1HB   PRO  76           HB2      PRO  76 -11.365  14.222  -8.727
  613   2HB   PRO  76           HB3      PRO  76 -11.218  15.893  -8.168
  614   1HG   PRO  76           HG2      PRO  76  -9.074  13.807  -8.478
  615   2HG   PRO  76           HG3      PRO  76  -9.065  15.504  -9.007
  616   1HD   PRO  76           HD2      PRO  76  -7.793  14.850  -6.790
  617   2HD   PRO  76           HD3      PRO  76  -8.809  16.303  -6.822
  618    H    THR  77           HN       THR  77  -9.781  12.249  -6.251
  619    HA   THR  77           HA       THR  77 -12.019  10.484  -5.854
  620    HB   THR  77           HB       THR  77 -11.839  10.778  -8.383
  621    HG1  THR  77           HG1      THR  77 -12.827   8.940  -7.719
  622   1HG2  THR  77          HG22      THR  77  -9.276  10.793  -8.401
  623   2HG2  THR  77          HG21      THR  77  -9.400   9.033  -8.304
  624   3HG2  THR  77          HG23      THR  77 -10.113   9.898  -9.665
  625    H    THR  78           HN       THR  78 -11.186   8.166  -5.633
  626    HA   THR  78           HA       THR  78  -8.744   8.207  -4.033
  627    HB   THR  78           HB       THR  78  -9.482   5.840  -3.458
  628    HG1  THR  78           HG1      THR  78 -10.843   5.582  -5.314
  629   1HG2  THR  78          HG21      THR  78 -11.104   8.246  -2.780
  630   2HG2  THR  78          HG23      THR  78 -11.609   6.657  -2.217
  631   3HG2  THR  78          HG22      THR  78 -10.027   7.290  -1.766
   
  No H/Q in entry =         631
  Start of MODEL   22
    1   1H    MET   1           HT3      MET   1 -11.804  -0.243  17.158
    2   2H    MET   1           HT2      MET   1 -12.747  -1.681  17.172
    3   3H    MET   1           HT1      MET   1 -11.165  -1.679  17.854
    4    HA   MET   1           HA       MET   1 -10.166  -1.437  15.801
    5   1HB   MET   1           HB2      MET   1 -12.425  -3.444  15.856
    6   2HB   MET   1           HB3      MET   1 -11.258  -3.408  14.541
    7   1HG   MET   1           HG2      MET   1 -10.473  -3.699  17.429
    8   2HG   MET   1           HG3      MET   1 -10.796  -5.063  16.366
    9   1HE   MET   1           HE2      MET   1  -9.537  -5.527  14.171
   10   2HE   MET   1           HE3      MET   1  -7.776  -5.454  14.223
   11   3HE   MET   1           HE1      MET   1  -8.661  -6.322  15.477
   12    H    ARG   2           HN       ARG   2 -10.189  -0.915  13.620
   13    HA   ARG   2           HA       ARG   2 -12.599   0.520  12.675
   14   1HB   ARG   2           HB2      ARG   2  -9.659   1.002  12.171
   15   2HB   ARG   2           HB3      ARG   2 -10.906   1.731  11.175
   16   1HG   ARG   2           HG2      ARG   2 -10.993   2.072  14.145
   17   2HG   ARG   2           HG3      ARG   2  -9.902   3.056  13.167
   18   1HD   ARG   2           HD2      ARG   2 -11.708   4.432  13.116
   19   2HD   ARG   2           HD3      ARG   2 -12.122   3.419  11.741
   20    HE   ARG   2           HE       ARG   2 -13.237   3.070  14.466
   21   1HH1  ARG   2          HH12      ARG   2 -13.641   2.978  10.972
   22   2HH1  ARG   2          HH11      ARG   2 -15.319   2.521  11.060
   23   1HH2  ARG   2          HH22      ARG   2 -15.400   2.477  14.571
   24   2HH2  ARG   2          HH21      ARG   2 -16.318   2.242  13.114
   25    H    SER   3           HN       SER   3 -12.108   0.781  10.044
   26    HA   SER   3           HA       SER   3 -12.274  -0.224   8.018
   27   1HB   SER   3           HB2      SER   3 -10.743  -2.580   9.163
   28   2HB   SER   3           HB3      SER   3 -10.881  -2.109   7.470
   29    HG   SER   3           HG       SER   3  -9.083  -1.306   9.297
   30    H    SER   4           HN       SER   4 -14.565  -0.290   8.883
   31    HA   SER   4           HA       SER   4 -15.611  -3.029   8.663
   32   1HB   SER   4           HB2      SER   4 -16.473  -0.985  10.739
   33   2HB   SER   4           HB3      SER   4 -17.255  -2.539  10.455
   34    HG   SER   4           HG       SER   4 -15.879  -3.273  11.851
   35    H    ALA   5           HN       ALA   5 -17.508  -3.225   7.588
   36    HA   ALA   5           HA       ALA   5 -19.310  -2.762   6.307
   37   1HB   ALA   5           HB1      ALA   5 -19.912  -1.203   8.178
   38   2HB   ALA   5           HB2      ALA   5 -19.221   0.105   7.222
   39   3HB   ALA   5           HB3      ALA   5 -20.597  -0.805   6.605
   40    H    LYS   6           HN       LYS   6 -17.574   0.350   6.045
   41    HA   LYS   6           HA       LYS   6 -17.882   0.483   3.217
   42   1HB   LYS   6           HB2      LYS   6 -15.833   2.036   4.803
   43   2HB   LYS   6           HB3      LYS   6 -16.639   2.504   3.313
   44   1HG   LYS   6           HG2      LYS   6 -17.903   3.756   4.680
   45   2HG   LYS   6           HG3      LYS   6 -18.779   2.251   4.936
   46   1HD   LYS   6           HD2      LYS   6 -18.405   2.664   7.117
   47   2HD   LYS   6           HD3      LYS   6 -16.801   2.014   6.787
   48   1HE   LYS   6           HE2      LYS   6 -17.613   4.917   6.818
   49   2HE   LYS   6           HE3      LYS   6 -16.585   4.095   7.986
   50   1HZ   LYS   6           HZ1      LYS   6 -15.862   4.267   5.124
   51   2HZ   LYS   6           HZ3      LYS   6 -15.449   5.490   6.224
   52   3HZ   LYS   6           HZ2      LYS   6 -14.860   3.905   6.445
   53    H    GLN   7           HN       GLN   7 -16.341   0.264   1.560
   54    HA   GLN   7           HA       GLN   7 -14.133  -1.564   2.207
   55   1HB   GLN   7           HB2      GLN   7 -16.003  -1.891   0.328
   56   2HB   GLN   7           HB3      GLN   7 -14.825  -0.993  -0.622
   57   1HG   GLN   7           HG2      GLN   7 -14.221  -3.202  -0.977
   58   2HG   GLN   7           HG3      GLN   7 -13.111  -2.655   0.285
   59   1HE2  GLN   7          HE22      GLN   7 -14.000  -5.774   1.700
   60   2HE2  GLN   7          HE21      GLN   7 -12.875  -4.988   0.648
   61    H    GLU   8           HN       GLU   8 -14.615   1.698   1.574
   62    HA   GLU   8           HA       GLU   8 -12.217   2.343   0.149
   63   1HB   GLU   8           HB2      GLU   8 -12.645   4.648   1.203
   64   2HB   GLU   8           HB3      GLU   8 -13.889   4.011   0.140
   65   1HG   GLU   8           HG2      GLU   8 -15.426   3.940   1.767
   66   2HG   GLU   8           HG3      GLU   8 -14.289   3.295   2.949
   67    H    GLU   9           HN       GLU   9 -12.428   0.764   2.874
   68    HA   GLU   9           HA       GLU   9 -10.614   2.206   4.613
   69   1HB   GLU   9           HB2      GLU   9 -11.790  -0.558   4.905
   70   2HB   GLU   9           HB3      GLU   9 -10.941   0.345   6.154
   71   1HG   GLU   9           HG2      GLU   9 -13.396   1.447   4.825
   72   2HG   GLU   9           HG3      GLU   9 -13.520   0.323   6.176
   73    H    LEU  10           HN       LEU  10 -10.582  -0.435   2.338
   74    HA   LEU  10           HA       LEU  10  -7.962  -1.420   2.894
   75   1HB   LEU  10           HB2      LEU  10  -9.794  -2.531   1.480
   76   2HB   LEU  10           HB3      LEU  10  -9.359  -1.418   0.208
   77    HG   LEU  10           HG       LEU  10  -8.194  -3.954   0.894
   78   1HD1  LEU  10          HD11      LEU  10  -7.887  -2.011  -1.369
   79   2HD1  LEU  10          HD12      LEU  10  -7.094  -3.587  -1.336
   80   3HD1  LEU  10          HD13      LEU  10  -8.855  -3.485  -1.318
   81   1HD2  LEU  10          HD22      LEU  10  -6.532  -2.445   2.084
   82   2HD2  LEU  10          HD23      LEU  10  -5.923  -3.600   0.915
   83   3HD2  LEU  10          HD21      LEU  10  -6.074  -1.907   0.470
   84    H    VAL  11           HN       VAL  11  -9.360   1.177   1.012
   85    HA   VAL  11           HA       VAL  11  -7.007   1.969  -0.387
   86    HB   VAL  11           HB       VAL  11  -9.421   3.669   0.338
   87   1HG1  VAL  11          HG12      VAL  11  -7.002   4.267  -1.096
   88   2HG1  VAL  11          HG13      VAL  11  -8.400   4.396  -2.166
   89   3HG1  VAL  11          HG11      VAL  11  -8.347   5.326  -0.670
   90   1HG2  VAL  11          HG22      VAL  11  -8.920   1.782  -1.955
   91   2HG2  VAL  11          HG23      VAL  11 -10.262   1.777  -0.808
   92   3HG2  VAL  11          HG21      VAL  11 -10.139   3.054  -2.017
   93    H    LYS  12           HN       LYS  12  -8.529   3.279   2.623
   94    HA   LYS  12           HA       LYS  12  -6.547   5.192   3.151
   95   1HB   LYS  12           HB2      LYS  12  -8.397   3.763   5.011
   96   2HB   LYS  12           HB3      LYS  12  -7.245   4.967   5.572
   97   1HG   LYS  12           HG2      LYS  12  -8.637   6.603   5.025
   98   2HG   LYS  12           HG3      LYS  12  -8.659   6.057   3.348
   99   1HD   LYS  12           HD2      LYS  12 -10.866   5.766   3.796
  100   2HD   LYS  12           HD3      LYS  12 -10.246   4.235   4.394
  101   1HE   LYS  12           HE2      LYS  12 -10.171   5.108   6.663
  102   2HE   LYS  12           HE3      LYS  12 -10.711   6.683   6.086
  103   1HZ   LYS  12           HZ3      LYS  12 -12.719   5.297   5.195
  104   2HZ   LYS  12           HZ2      LYS  12 -12.235   4.190   6.397
  105   3HZ   LYS  12           HZ1      LYS  12 -12.656   5.776   6.830
  106    H    ALA  13           HN       ALA  13  -6.862   1.852   4.266
  107    HA   ALA  13           HA       ALA  13  -4.529   1.744   5.851
  108   1HB   ALA  13           HB2      ALA  13  -6.409   0.105   5.936
  109   2HB   ALA  13           HB3      ALA  13  -5.823  -0.575   4.418
  110   3HB   ALA  13           HB1      ALA  13  -4.809  -0.632   5.861
  111    H    PHE  14           HN       PHE  14  -5.076   0.980   2.409
  112    HA   PHE  14           HA       PHE  14  -2.584  -0.121   1.814
  113   1HB   PHE  14           HB2      PHE  14  -4.611  -0.033   0.266
  114   2HB   PHE  14           HB3      PHE  14  -4.144   1.618  -0.126
  115    HD1  PHE  14           HD1      PHE  14  -3.211  -1.936  -0.391
  116    HD2  PHE  14           HD2      PHE  14  -2.209   2.052  -1.492
  117    HE1  PHE  14           HE1      PHE  14  -1.634  -2.799  -2.053
  118    HE2  PHE  14           HE2      PHE  14  -0.620   1.182  -3.164
  119    HZ   PHE  14           HZ       PHE  14  -0.339  -1.242  -3.435
  120    H    LYS  15           HN       LYS  15  -3.568   3.320   1.568
  121    HA   LYS  15           HA       LYS  15  -1.059   4.302   0.763
  122   1HB   LYS  15           HB2      LYS  15  -3.474   5.551   1.959
  123   2HB   LYS  15           HB3      LYS  15  -1.972   6.466   1.972
  124   1HG   LYS  15           HG2      LYS  15  -2.265   7.053  -0.131
  125   2HG   LYS  15           HG3      LYS  15  -2.296   5.362  -0.626
  126   1HD   LYS  15           HD2      LYS  15  -4.308   6.506  -1.347
  127   2HD   LYS  15           HD3      LYS  15  -4.665   5.246  -0.171
  128   1HE   LYS  15           HE2      LYS  15  -5.625   7.831  -0.071
  129   2HE   LYS  15           HE3      LYS  15  -5.548   6.707   1.287
  130   1HZ   LYS  15           HZ3      LYS  15  -3.319   8.558   0.630
  131   2HZ   LYS  15           HZ2      LYS  15  -4.597   8.986   1.669
  132   3HZ   LYS  15           HZ1      LYS  15  -3.573   7.691   2.077
  133    H    ALA  16           HN       ALA  16  -2.464   3.894   3.993
  134    HA   ALA  16           HA       ALA  16  -0.452   5.130   5.503
  135   1HB   ALA  16           HB2      ALA  16  -2.681   4.529   6.379
  136   2HB   ALA  16           HB3      ALA  16  -2.209   2.832   6.364
  137   3HB   ALA  16           HB1      ALA  16  -1.369   3.972   7.414
  138    H    LEU  17           HN       LEU  17  -0.827   1.696   4.576
  139    HA   LEU  17           HA       LEU  17   1.394   0.634   5.893
  140   1HB   LEU  17           HB2      LEU  17   0.085  -0.149   3.287
  141   2HB   LEU  17           HB3      LEU  17   1.389  -1.076   3.995
  142    HG   LEU  17           HG       LEU  17  -1.426  -0.758   4.934
  143   1HD1  LEU  17          HD13      LEU  17   0.427  -3.038   4.363
  144   2HD1  LEU  17          HD11      LEU  17  -1.064  -3.258   5.278
  145   3HD1  LEU  17          HD12      LEU  17  -1.128  -2.659   3.619
  146   1HD2  LEU  17          HD22      LEU  17   0.938  -1.421   6.662
  147   2HD2  LEU  17          HD23      LEU  17  -0.346  -0.251   6.959
  148   3HD2  LEU  17          HD21      LEU  17  -0.689  -1.975   7.038
  149    H    LEU  18           HN       LEU  18   1.172   1.974   2.614
  150    HA   LEU  18           HA       LEU  18   3.910   1.618   1.936
  151   1HB   LEU  18           HB2      LEU  18   1.988   3.706   0.905
  152   2HB   LEU  18           HB3      LEU  18   3.502   3.245   0.152
  153    HG   LEU  18           HG       LEU  18   1.313   1.234   0.568
  154   1HD1  LEU  18          HD13      LEU  18   1.175   3.566  -1.076
  155   2HD1  LEU  18          HD11      LEU  18   1.259   2.125  -2.097
  156   3HD1  LEU  18          HD12      LEU  18   0.002   2.268  -0.869
  157   1HD2  LEU  18          HD21      LEU  18   3.538   0.395  -0.014
  158   2HD2  LEU  18          HD22      LEU  18   2.384   0.130  -1.323
  159   3HD2  LEU  18          HD23      LEU  18   3.558   1.440  -1.438
  160    H    LYS  19           HN       LYS  19   2.146   4.483   3.108
  161    HA   LYS  19           HA       LYS  19   4.364   6.183   3.192
  162   1HB   LYS  19           HB2      LYS  19   1.672   6.289   4.526
  163   2HB   LYS  19           HB3      LYS  19   2.870   7.556   4.760
  164   1HG   LYS  19           HG2      LYS  19   2.969   7.784   2.261
  165   2HG   LYS  19           HG3      LYS  19   1.579   6.698   2.172
  166   1HD   LYS  19           HD2      LYS  19   0.247   8.472   2.462
  167   2HD   LYS  19           HD3      LYS  19   0.928   8.685   4.075
  168   1HE   LYS  19           HE2      LYS  19   2.031   9.871   1.522
  169   2HE   LYS  19           HE3      LYS  19   1.089  10.734   2.737
  170   1HZ   LYS  19           HZ3      LYS  19   3.642   9.389   3.426
  171   2HZ   LYS  19           HZ2      LYS  19   3.601  10.977   2.820
  172   3HZ   LYS  19           HZ1      LYS  19   2.815  10.600   4.285
  173    H    GLU  20           HN       GLU  20   3.619   3.613   5.320
  174    HA   GLU  20           HA       GLU  20   4.970   4.653   7.661
  175   1HB   GLU  20           HB2      GLU  20   3.895   1.967   6.849
  176   2HB   GLU  20           HB3      GLU  20   5.039   2.065   8.177
  177   1HG   GLU  20           HG2      GLU  20   3.411   3.844   9.129
  178   2HG   GLU  20           HG3      GLU  20   2.258   3.144   7.999
  179    H    GLU  21           HN       GLU  21   5.827   3.011   4.716
  180    HA   GLU  21           HA       GLU  21   7.779   2.477   3.725
  181   1HB   GLU  21           HB2      GLU  21   9.232   3.980   5.907
  182   2HB   GLU  21           HB3      GLU  21   9.741   3.712   4.247
  183   1HG   GLU  21           HG2      GLU  21   7.655   5.073   3.595
  184   2HG   GLU  21           HG3      GLU  21   7.628   5.576   5.281
  185    H    LYS  22           HN       LYS  22   6.840   0.410   5.028
  186    HA   LYS  22           HA       LYS  22   9.171  -0.815   6.373
  187   1HB   LYS  22           HB2      LYS  22   7.378  -2.299   7.516
  188   2HB   LYS  22           HB3      LYS  22   7.642  -0.677   8.117
  189   1HG   LYS  22           HG2      LYS  22   5.656   0.026   6.707
  190   2HG   LYS  22           HG3      LYS  22   5.351  -1.700   6.501
  191   1HD   LYS  22           HD2      LYS  22   5.563  -1.760   9.103
  192   2HD   LYS  22           HD3      LYS  22   5.221  -0.032   8.980
  193   1HE   LYS  22           HE2      LYS  22   3.146  -0.525   7.777
  194   2HE   LYS  22           HE3      LYS  22   3.496  -2.249   7.877
  195   1HZ   LYS  22           HZ3      LYS  22   3.588  -1.719  10.421
  196   2HZ   LYS  22           HZ2      LYS  22   2.584  -0.420   9.967
  197   3HZ   LYS  22           HZ1      LYS  22   2.111  -2.017   9.636
  198    H    PHE  23           HN       PHE  23   6.950  -1.041   3.777
  199    HA   PHE  23           HA       PHE  23   7.448  -3.908   3.357
  200   1HB   PHE  23           HB2      PHE  23   5.588  -2.044   1.848
  201   2HB   PHE  23           HB3      PHE  23   5.656  -3.804   1.707
  202    HD1  PHE  23           HD2      PHE  23   4.826  -5.219   3.511
  203    HD2  PHE  23           HD1      PHE  23   4.567  -0.989   3.747
  204    HE1  PHE  23           HE2      PHE  23   3.250  -5.428   5.382
  205    HE2  PHE  23           HE1      PHE  23   3.004  -1.183   5.626
  206    HZ   PHE  23           HZ       PHE  23   2.330  -3.408   6.443
  207    H    SER  24           HN       SER  24   8.721  -4.662   1.794
  208    HA   SER  24           HA       SER  24   9.928  -2.744  -0.101
  209   1HB   SER  24           HB2      SER  24  11.538  -4.997  -0.194
  210   2HB   SER  24           HB3      SER  24  11.866  -3.533   0.718
  211    HG   SER  24           HG       SER  24  11.551  -4.587   2.512
  212    H    SER  25           HN       SER  25   7.882  -5.448   0.164
  213    HA   SER  25           HA       SER  25   7.849  -5.760  -2.765
  214   1HB   SER  25           HB2      SER  25   7.430  -8.252  -2.339
  215   2HB   SER  25           HB3      SER  25   9.076  -7.682  -2.073
  216    HG   SER  25           HG       SER  25   8.878  -7.993   0.032
  217    H    GLN  26           HN       GLN  26   5.872  -6.688  -3.577
  218    HA   GLN  26           HA       GLN  26   3.481  -5.522  -2.543
  219   1HB   GLN  26           HB2      GLN  26   3.417  -7.865  -4.413
  220   2HB   GLN  26           HB3      GLN  26   2.471  -6.402  -4.417
  221   1HG   GLN  26           HG2      GLN  26   4.645  -5.200  -5.034
  222   2HG   GLN  26           HG3      GLN  26   5.258  -6.810  -5.401
  223   1HE2  GLN  26          HE22      GLN  26   3.143  -4.879  -8.125
  224   2HE2  GLN  26          HE21      GLN  26   3.859  -4.164  -6.719
  225    H    GLY  27           HN       GLY  27   4.470  -8.906  -2.842
  226   1HA   GLY  27           HA1      GLY  27   2.555 -10.353  -1.644
  227   2HA   GLY  27           HA2      GLY  27   4.247 -10.714  -1.406
  228    H    GLU  28           HN       GLU  28   4.941  -8.504   0.273
  229    HA   GLU  28           HA       GLU  28   4.052  -9.534   2.781
  230   1HB   GLU  28           HB2      GLU  28   6.317  -8.531   2.346
  231   2HB   GLU  28           HB3      GLU  28   5.548  -6.949   2.322
  232   1HG   GLU  28           HG2      GLU  28   4.862  -7.190   4.617
  233   2HG   GLU  28           HG3      GLU  28   5.445  -8.850   4.663
  234    H    ILE  29           HN       ILE  29   3.321  -6.507   1.006
  235    HA   ILE  29           HA       ILE  29   1.610  -5.501   3.081
  236    HB   ILE  29           HB       ILE  29   2.237  -3.672   1.967
  237   1HG1  ILE  29          HG12      ILE  29  -0.057  -4.362   0.128
  238   2HG1  ILE  29          HG13      ILE  29  -0.223  -3.673   1.743
  239   1HG2  ILE  29          HG21      ILE  29   3.616  -4.870   0.322
  240   2HG2  ILE  29          HG22      ILE  29   2.194  -5.044  -0.704
  241   3HG2  ILE  29          HG23      ILE  29   2.830  -3.447  -0.349
  242   1HD1  ILE  29          HD12      ILE  29   1.465  -1.885   0.639
  243   2HD1  ILE  29          HD13      ILE  29   0.570  -2.401  -0.793
  244   3HD1  ILE  29          HD11      ILE  29  -0.294  -1.740   0.596
  245    H    VAL  30           HN       VAL  30   1.208  -7.686   0.422
  246    HA   VAL  30           HA       VAL  30  -1.627  -7.659   0.184
  247    HB   VAL  30           HB       VAL  30   0.204 -10.046  -0.237
  248   1HG1  VAL  30          HG11      VAL  30  -2.233 -10.526  -0.130
  249   2HG1  VAL  30          HG12      VAL  30  -2.458  -9.437  -1.498
  250   3HG1  VAL  30          HG13      VAL  30  -1.499 -10.901  -1.686
  251   1HG2  VAL  30          HG22      VAL  30   0.292  -7.631  -1.627
  252   2HG2  VAL  30          HG23      VAL  30   0.995  -9.162  -2.116
  253   3HG2  VAL  30          HG21      VAL  30  -0.615  -8.726  -2.659
  254    H    ALA  31           HN       ALA  31   0.597  -9.733   2.031
  255    HA   ALA  31           HA       ALA  31  -1.393 -11.171   3.440
  256   1HB   ALA  31           HB2      ALA  31   0.944 -11.943   3.108
  257   2HB   ALA  31           HB3      ALA  31   1.470 -10.744   4.289
  258   3HB   ALA  31           HB1      ALA  31   0.390 -12.052   4.775
  259    H    ALA  32           HN       ALA  32   0.492  -8.279   4.295
  260    HA   ALA  32           HA       ALA  32  -0.246  -7.993   6.955
  261   1HB   ALA  32           HB2      ALA  32   1.478  -6.645   5.904
  262   2HB   ALA  32           HB3      ALA  32   0.262  -5.794   4.956
  263   3HB   ALA  32           HB1      ALA  32   0.293  -5.622   6.711
  264    H    LEU  33           HN       LEU  33  -1.977  -6.802   4.063
  265    HA   LEU  33           HA       LEU  33  -4.064  -5.556   5.560
  266   1HB   LEU  33           HB2      LEU  33  -4.009  -6.413   2.665
  267   2HB   LEU  33           HB3      LEU  33  -5.279  -5.439   3.396
  268    HG   LEU  33           HG       LEU  33  -2.417  -4.521   3.477
  269   1HD1  LEU  33          HD11      LEU  33  -3.992  -4.848   1.107
  270   2HD1  LEU  33          HD12      LEU  33  -3.716  -3.136   1.418
  271   3HD1  LEU  33          HD13      LEU  33  -2.350  -4.240   1.283
  272   1HD2  LEU  33          HD22      LEU  33  -5.112  -3.216   3.737
  273   2HD2  LEU  33          HD23      LEU  33  -3.787  -3.253   4.900
  274   3HD2  LEU  33          HD21      LEU  33  -3.644  -2.292   3.431
  275    H    GLN  34           HN       GLN  34  -3.531  -8.853   4.464
  276    HA   GLN  34           HA       GLN  34  -6.228  -9.744   4.741
  277   1HB   GLN  34           HB2      GLN  34  -3.616 -11.256   4.823
  278   2HB   GLN  34           HB3      GLN  34  -5.180 -12.042   4.951
  279   1HG   GLN  34           HG2      GLN  34  -5.796 -11.420   2.762
  280   2HG   GLN  34           HG3      GLN  34  -4.474 -10.265   2.635
  281   1HE2  GLN  34          HE22      GLN  34  -3.474 -13.157   0.649
  282   2HE2  GLN  34          HE21      GLN  34  -4.684 -11.925   0.604
  283    H    GLU  35           HN       GLU  35  -3.544  -9.360   6.975
  284    HA   GLU  35           HA       GLU  35  -4.825 -10.588   9.230
  285   1HB   GLU  35           HB2      GLU  35  -2.649  -8.479   9.251
  286   2HB   GLU  35           HB3      GLU  35  -3.084  -9.559  10.567
  287   1HG   GLU  35           HG2      GLU  35  -2.394 -11.480   9.116
  288   2HG   GLU  35           HG3      GLU  35  -1.783 -10.299   7.962
  289    H    GLN  36           HN       GLN  36  -4.687  -7.318   7.897
  290    HA   GLN  36           HA       GLN  36  -5.836  -5.896  10.036
  291   1HB   GLN  36           HB2      GLN  36  -5.710  -5.382   7.073
  292   2HB   GLN  36           HB3      GLN  36  -6.521  -4.271   8.159
  293   1HG   GLN  36           HG2      GLN  36  -3.731  -5.092   8.797
  294   2HG   GLN  36           HG3      GLN  36  -3.995  -3.957   7.476
  295   1HE2  GLN  36          HE22      GLN  36  -3.968  -1.335   9.730
  296   2HE2  GLN  36          HE21      GLN  36  -3.399  -2.042   8.261
  297    H    GLY  37           HN       GLY  37  -7.455  -6.918   7.010
  298   1HA   GLY  37           HA1      GLY  37  -9.658  -8.163   8.034
  299   2HA   GLY  37           HA2      GLY  37 -10.069  -6.459   8.144
  300    H    PHE  38           HN       PHE  38  -8.106  -7.822   5.552
  301    HA   PHE  38           HA       PHE  38 -10.360  -7.419   3.671
  302   1HB   PHE  38           HB2      PHE  38  -7.463  -6.815   3.056
  303   2HB   PHE  38           HB3      PHE  38  -8.874  -6.450   2.068
  304    HD1  PHE  38           HD2      PHE  38 -10.466  -4.695   2.794
  305    HD2  PHE  38           HD1      PHE  38  -6.816  -5.385   4.860
  306    HE1  PHE  38           HE2      PHE  38 -10.664  -2.506   3.895
  307    HE2  PHE  38           HE1      PHE  38  -7.002  -3.205   5.953
  308    HZ   PHE  38           HZ       PHE  38  -8.919  -1.764   5.472
  309    H    ASP  39           HN       ASP  39 -10.949  -9.368   3.026
  310    HA   ASP  39           HA       ASP  39  -9.087 -11.547   2.866
  311   1HB   ASP  39           HB2      ASP  39 -11.366 -11.790   3.853
  312   2HB   ASP  39           HB3      ASP  39 -12.005 -11.605   2.227
  313    H    ASN  40           HN       ASN  40 -11.063  -9.809   0.632
  314    HA   ASN  40           HA       ASN  40 -10.322 -11.412  -1.638
  315   1HB   ASN  40           HB2      ASN  40 -12.540 -10.040  -1.208
  316   2HB   ASN  40           HB3      ASN  40 -11.641  -8.729  -1.959
  317   1HD2  ASN  40          HD22      ASN  40 -12.661  -9.842  -5.071
  318   2HD2  ASN  40          HD21      ASN  40 -12.450  -8.543  -3.946
  319    H    ILE  41           HN       ILE  41  -8.017 -10.520  -0.523
  320    HA   ILE  41           HA       ILE  41  -7.019  -8.445  -2.373
  321    HB   ILE  41           HB       ILE  41  -6.511  -8.931   0.504
  322   1HG1  ILE  41          HG12      ILE  41  -6.295  -6.523   0.547
  323   2HG1  ILE  41          HG13      ILE  41  -6.144  -6.464  -1.207
  324   1HG2  ILE  41          HG22      ILE  41  -4.255  -8.197  -1.351
  325   2HG2  ILE  41          HG23      ILE  41  -4.257  -7.842   0.374
  326   3HG2  ILE  41          HG21      ILE  41  -4.316  -9.515  -0.176
  327   1HD1  ILE  41          HD12      ILE  41  -8.612  -7.571   0.044
  328   2HD1  ILE  41          HD13      ILE  41  -8.380  -5.830  -0.114
  329   3HD1  ILE  41          HD11      ILE  41  -8.379  -6.850  -1.546
  330    H    ASN  42           HN       ASN  42  -5.293  -8.855  -3.598
  331    HA   ASN  42           HA       ASN  42  -3.738 -11.308  -3.278
  332   1HB   ASN  42           HB2      ASN  42  -4.062 -11.813  -5.778
  333   2HB   ASN  42           HB3      ASN  42  -5.396 -12.212  -4.709
  334   1HD2  ASN  42          HD22      ASN  42  -7.645 -10.393  -6.606
  335   2HD2  ASN  42          HD21      ASN  42  -7.306 -11.725  -5.558
  336    H    GLN  43           HN       GLN  43  -1.982 -11.376  -5.093
  337    HA   GLN  43           HA       GLN  43  -0.346  -9.145  -4.772
  338   1HB   GLN  43           HB2      GLN  43   0.361 -11.506  -5.367
  339   2HB   GLN  43           HB3      GLN  43  -0.055 -11.130  -7.034
  340   1HG   GLN  43           HG2      GLN  43   1.691  -9.655  -7.295
  341   2HG   GLN  43           HG3      GLN  43   1.816  -9.327  -5.568
  342   1HE2  GLN  43          HE22      GLN  43   4.696 -11.392  -6.709
  343   2HE2  GLN  43          HE21      GLN  43   3.999  -9.893  -7.211
  344    H    SER  44           HN       SER  44  -2.466  -9.959  -7.493
  345    HA   SER  44           HA       SER  44  -1.601  -7.952  -9.276
  346   1HB   SER  44           HB2      SER  44  -4.214  -8.268  -9.985
  347   2HB   SER  44           HB3      SER  44  -2.927  -9.352 -10.465
  348    HG   SER  44           HG       SER  44  -3.469 -10.623  -8.564
  349    H    LYS  45           HN       LYS  45  -4.288  -7.996  -6.970
  350    HA   LYS  45           HA       LYS  45  -5.236  -5.386  -7.336
  351   1HB   LYS  45           HB2      LYS  45  -5.907  -7.504  -5.702
  352   2HB   LYS  45           HB3      LYS  45  -5.323  -6.336  -4.538
  353   1HG   LYS  45           HG2      LYS  45  -7.189  -5.143  -4.667
  354   2HG   LYS  45           HG3      LYS  45  -7.140  -5.116  -6.434
  355   1HD   LYS  45           HD2      LYS  45  -8.457  -6.986  -6.641
  356   2HD   LYS  45           HD3      LYS  45  -7.967  -7.645  -5.081
  357   1HE   LYS  45           HE2      LYS  45 -10.326  -6.869  -5.145
  358   2HE   LYS  45           HE3      LYS  45  -9.350  -6.076  -3.907
  359   1HZ   LYS  45           HZ2      LYS  45  -9.550  -4.791  -6.535
  360   2HZ   LYS  45           HZ1      LYS  45 -10.909  -4.719  -5.513
  361   3HZ   LYS  45           HZ3      LYS  45  -9.415  -4.088  -4.992
  362    H    VAL  46           HN       VAL  46  -2.587  -6.563  -5.330
  363    HA   VAL  46           HA       VAL  46  -2.051  -4.093  -3.977
  364    HB   VAL  46           HB       VAL  46  -0.541  -6.677  -4.225
  365   1HG1  VAL  46          HG11      VAL  46   1.110  -4.861  -4.000
  366   2HG1  VAL  46          HG12      VAL  46   0.268  -4.303  -2.551
  367   3HG1  VAL  46          HG13      VAL  46   1.037  -5.888  -2.577
  368   1HG2  VAL  46          HG23      VAL  46  -2.537  -5.545  -2.436
  369   2HG2  VAL  46          HG21      VAL  46  -1.999  -7.210  -2.609
  370   3HG2  VAL  46          HG22      VAL  46  -1.110  -6.099  -1.570
  371    H    SER  47           HN       SER  47  -0.715  -5.692  -6.842
  372    HA   SER  47           HA       SER  47   1.297  -3.735  -7.354
  373   1HB   SER  47           HB2      SER  47   1.124  -6.165  -8.232
  374   2HB   SER  47           HB3      SER  47   0.060  -5.496  -9.465
  375    HG   SER  47           HG       SER  47   2.212  -5.560 -10.196
  376    H    ARG  48           HN       ARG  48  -2.066  -4.150  -8.367
  377    HA   ARG  48           HA       ARG  48  -2.033  -2.022 -10.293
  378   1HB   ARG  48           HB2      ARG  48  -4.234  -3.594  -8.979
  379   2HB   ARG  48           HB3      ARG  48  -4.597  -2.213 -10.009
  380   1HG   ARG  48           HG2      ARG  48  -3.576  -3.233 -11.893
  381   2HG   ARG  48           HG3      ARG  48  -2.894  -4.522 -10.903
  382   1HD   ARG  48           HD2      ARG  48  -5.374  -5.060 -10.336
  383   2HD   ARG  48           HD3      ARG  48  -5.728  -4.111 -11.782
  384    HE   ARG  48           HE       ARG  48  -3.731  -6.028 -12.366
  385   1HH1  ARG  48          HH12      ARG  48  -7.161  -5.793 -11.710
  386   2HH1  ARG  48          HH11      ARG  48  -7.561  -7.221 -12.617
  387   1HH2  ARG  48          HH22      ARG  48  -4.256  -7.912 -13.558
  388   2HH2  ARG  48          HH21      ARG  48  -5.921  -8.426 -13.663
  389    H    MET  49           HN       MET  49  -2.993  -2.258  -6.878
  390    HA   MET  49           HA       MET  49  -3.875   0.420  -6.590
  391   1HB   MET  49           HB2      MET  49  -2.977  -1.674  -4.665
  392   2HB   MET  49           HB3      MET  49  -3.282  -0.031  -4.124
  393   1HG   MET  49           HG2      MET  49  -5.129  -2.115  -4.557
  394   2HG   MET  49           HG3      MET  49  -5.414  -0.500  -3.947
  395   1HE   MET  49           HE1      MET  49  -6.577  -2.970  -5.974
  396   2HE   MET  49           HE2      MET  49  -7.373  -2.252  -7.375
  397   3HE   MET  49           HE3      MET  49  -5.670  -2.694  -7.459
  398    H    LEU  50           HN       LEU  50  -0.690  -1.111  -6.327
  399    HA   LEU  50           HA       LEU  50   0.758   1.070  -5.288
  400   1HB   LEU  50           HB2      LEU  50   1.471  -1.382  -6.875
  401   2HB   LEU  50           HB3      LEU  50   2.669  -0.100  -6.763
  402    HG   LEU  50           HG       LEU  50   1.404  -1.153  -4.273
  403   1HD1  LEU  50          HD12      LEU  50   3.649  -2.454  -5.793
  404   2HD1  LEU  50          HD13      LEU  50   3.290  -2.773  -4.097
  405   3HD1  LEU  50          HD11      LEU  50   2.108  -3.176  -5.336
  406   1HD2  LEU  50          HD22      LEU  50   4.001   0.168  -4.954
  407   2HD2  LEU  50          HD23      LEU  50   2.718   0.731  -3.880
  408   3HD2  LEU  50          HD21      LEU  50   3.720  -0.639  -3.414
  409    H    THR  51           HN       THR  51   0.204   0.101  -8.679
  410    HA   THR  51           HA       THR  51   1.504   2.364  -9.810
  411    HB   THR  51           HB       THR  51  -0.605   0.757 -11.244
  412    HG1  THR  51           HG1      THR  51   0.528  -0.905 -10.464
  413   1HG2  THR  51          HG22      THR  51   1.658   2.439 -12.030
  414   2HG2  THR  51          HG21      THR  51   1.541   0.908 -12.894
  415   3HG2  THR  51          HG23      THR  51   0.183   2.028 -12.899
  416    H    LYS  52           HN       LYS  52  -1.863   1.650  -8.992
  417    HA   LYS  52           HA       LYS  52  -3.082   3.874 -10.216
  418   1HB   LYS  52           HB2      LYS  52  -4.345   1.914  -9.485
  419   2HB   LYS  52           HB3      LYS  52  -3.945   2.249  -7.809
  420   1HG   LYS  52           HG2      LYS  52  -5.251   4.503  -9.112
  421   2HG   LYS  52           HG3      LYS  52  -6.226   3.031  -9.130
  422   1HD   LYS  52           HD2      LYS  52  -5.918   2.819  -6.689
  423   2HD   LYS  52           HD3      LYS  52  -5.004   4.326  -6.685
  424   1HE   LYS  52           HE2      LYS  52  -7.354   4.638  -5.993
  425   2HE   LYS  52           HE3      LYS  52  -6.939   5.561  -7.434
  426   1HZ   LYS  52           HZ1      LYS  52  -8.096   2.887  -7.807
  427   2HZ   LYS  52           HZ3      LYS  52  -9.132   4.139  -7.295
  428   3HZ   LYS  52           HZ2      LYS  52  -8.265   4.292  -8.753
  429    H    PHE  53           HN       PHE  53  -2.142   3.389  -6.803
  430    HA   PHE  53           HA       PHE  53  -2.722   6.085  -6.056
  431   1HB   PHE  53           HB2      PHE  53  -1.256   3.835  -4.656
  432   2HB   PHE  53           HB3      PHE  53  -1.486   5.418  -3.925
  433    HD1  PHE  53           HD1      PHE  53  -4.128   6.225  -4.372
  434    HD2  PHE  53           HD2      PHE  53  -2.689   2.257  -3.823
  435    HE1  PHE  53           HE1      PHE  53  -6.355   5.520  -3.594
  436    HE2  PHE  53           HE2      PHE  53  -4.903   1.552  -3.045
  437    HZ   PHE  53           HZ       PHE  53  -6.741   3.176  -2.933
  438    H    GLY  54           HN       GLY  54   0.016   4.597  -7.523
  439   1HA   GLY  54           HA1      GLY  54   1.866   5.635  -8.447
  440   2HA   GLY  54           HA2      GLY  54   1.352   7.147  -7.719
  441    H    ALA  55           HN       ALA  55   2.445   3.956  -6.564
  442    HA   ALA  55           HA       ALA  55   3.850   5.139  -4.329
  443   1HB   ALA  55           HB1      ALA  55   3.641   2.298  -5.309
  444   2HB   ALA  55           HB2      ALA  55   4.504   2.782  -3.847
  445   3HB   ALA  55           HB3      ALA  55   2.762   3.039  -3.969
  446    H    VAL  56           HN       VAL  56   6.082   5.023  -3.945
  447    HA   VAL  56           HA       VAL  56   7.810   4.546  -6.294
  448    HB   VAL  56           HB       VAL  56   9.220   6.417  -5.700
  449   1HG1  VAL  56          HG13      VAL  56   7.181   6.790  -7.116
  450   2HG1  VAL  56          HG11      VAL  56   6.377   7.412  -5.675
  451   3HG1  VAL  56          HG12      VAL  56   7.804   8.229  -6.307
  452   1HG2  VAL  56          HG23      VAL  56   7.423   6.649  -3.310
  453   2HG2  VAL  56          HG21      VAL  56   9.185   6.625  -3.381
  454   3HG2  VAL  56          HG22      VAL  56   8.299   8.051  -3.921
  455    H    ARG  57           HN       ARG  57  10.070   4.026  -5.690
  456    HA   ARG  57           HA       ARG  57  10.176   2.573  -3.116
  457   1HB   ARG  57           HB2      ARG  57  11.953   1.877  -5.435
  458   2HB   ARG  57           HB3      ARG  57  11.426   0.874  -4.089
  459   1HG   ARG  57           HG2      ARG  57   9.056   1.226  -5.199
  460   2HG   ARG  57           HG3      ARG  57  10.027   1.532  -6.632
  461   1HD   ARG  57           HD2      ARG  57   9.539  -0.975  -5.159
  462   2HD   ARG  57           HD3      ARG  57   9.817  -0.710  -6.876
  463    HE   ARG  57           HE       ARG  57  11.773  -1.357  -4.855
  464   1HH1  ARG  57          HH12      ARG  57  11.294   0.062  -8.036
  465   2HH1  ARG  57          HH11      ARG  57  12.942  -0.223  -8.536
  466   1HH2  ARG  57          HH22      ARG  57  13.890  -1.722  -5.514
  467   2HH2  ARG  57          HH21      ARG  57  14.417  -1.232  -7.094
  468    H    THR  58           HN       THR  58  11.741   3.113  -1.688
  469    HA   THR  58           HA       THR  58  14.221   4.323  -2.546
  470    HB   THR  58           HB       THR  58  12.423   6.193  -2.497
  471    HG1  THR  58           HG1      THR  58  14.406   7.130  -0.880
  472   1HG2  THR  58          HG23      THR  58  11.636   5.468  -0.150
  473   2HG2  THR  58          HG22      THR  58  13.034   6.377   0.417
  474   3HG2  THR  58          HG21      THR  58  11.782   7.182  -0.527
  475    H    ARG  59           HN       ARG  59  15.689   4.796  -0.715
  476    HA   ARG  59           HA       ARG  59  15.643   2.675   1.181
  477   1HB   ARG  59           HB2      ARG  59  17.487   4.898   0.454
  478   2HB   ARG  59           HB3      ARG  59  17.670   4.201   2.047
  479   1HG   ARG  59           HG2      ARG  59  17.713   1.932   0.778
  480   2HG   ARG  59           HG3      ARG  59  18.094   2.934  -0.621
  481   1HD   ARG  59           HD2      ARG  59  19.620   2.886   1.981
  482   2HD   ARG  59           HD3      ARG  59  20.119   2.096   0.497
  483    HE   ARG  59           HE       ARG  59  20.168   4.958   1.090
  484   1HH1  ARG  59          HH12      ARG  59  20.626   2.426  -1.309
  485   2HH1  ARG  59          HH11      ARG  59  21.567   3.441  -2.372
  486   1HH2  ARG  59          HH22      ARG  59  21.391   6.275  -0.321
  487   2HH2  ARG  59          HH21      ARG  59  21.995   5.609  -1.810
  488    H    ASN  60           HN       ASN  60  14.770   2.642   3.148
  489    HA   ASN  60           HA       ASN  60  13.644   5.064   4.302
  490   1HB   ASN  60           HB2      ASN  60  12.612   3.559   5.966
  491   2HB   ASN  60           HB3      ASN  60  12.255   3.078   4.320
  492   1HD2  ASN  60          HD22      ASN  60  12.915  -0.104   5.740
  493   2HD2  ASN  60          HD21      ASN  60  11.672   1.066   5.466
  494    H    ALA  61           HN       ALA  61  13.787   4.471   7.021
  495    HA   ALA  61           HA       ALA  61  16.136   5.748   7.781
  496   1HB   ALA  61           HB3      ALA  61  14.048   5.695   9.107
  497   2HB   ALA  61           HB1      ALA  61  14.410   4.030   9.558
  498   3HB   ALA  61           HB2      ALA  61  15.488   5.333  10.058
  499    H    LYS  62           HN       LYS  62  15.595   2.333   7.295
  500    HA   LYS  62           HA       LYS  62  18.148   1.684   8.608
  501   1HB   LYS  62           HB2      LYS  62  15.838  -0.063   7.766
  502   2HB   LYS  62           HB3      LYS  62  17.399  -0.703   8.270
  503   1HG   LYS  62           HG2      LYS  62  17.117   0.467  10.445
  504   2HG   LYS  62           HG3      LYS  62  15.503   0.957   9.931
  505   1HD   LYS  62           HD2      LYS  62  16.075  -1.925   9.692
  506   2HD   LYS  62           HD3      LYS  62  16.049  -1.299  11.341
  507   1HE   LYS  62           HE2      LYS  62  13.816  -0.656  11.207
  508   2HE   LYS  62           HE3      LYS  62  13.829  -0.626   9.443
  509   1HZ   LYS  62           HZ3      LYS  62  14.289  -3.192  10.782
  510   2HZ   LYS  62           HZ2      LYS  62  12.702  -2.572  10.763
  511   3HZ   LYS  62           HZ1      LYS  62  13.522  -2.859   9.298
  512    H    MET  63           HN       MET  63  17.746   2.907   5.838
  513    HA   MET  63           HA       MET  63  18.811   2.824   3.834
  514   1HB   MET  63           HB2      MET  63  20.507   0.493   4.634
  515   2HB   MET  63           HB3      MET  63  20.945   1.945   3.760
  516   1HG   MET  63           HG2      MET  63  20.643   3.183   5.956
  517   2HG   MET  63           HG3      MET  63  20.611   1.589   6.699
  518   1HE   MET  63           HE3      MET  63  22.257  -0.195   6.137
  519   2HE   MET  63           HE1      MET  63  23.153   0.107   4.652
  520   3HE   MET  63           HE2      MET  63  23.992   0.103   6.205
  521    H    GLU  64           HN       GLU  64  16.559   0.804   4.521
  522    HA   GLU  64           HA       GLU  64  17.081  -1.247   2.491
  523   1HB   GLU  64           HB2      GLU  64  14.736  -0.976   4.383
  524   2HB   GLU  64           HB3      GLU  64  15.076  -2.344   3.333
  525   1HG   GLU  64           HG2      GLU  64  17.340  -2.431   4.631
  526   2HG   GLU  64           HG3      GLU  64  16.476  -1.472   5.829
  527    H    MET  65           HN       MET  65  16.324  -1.059   0.475
  528    HA   MET  65           HA       MET  65  14.777   1.184  -0.366
  529   1HB   MET  65           HB2      MET  65  15.605  -1.351  -1.794
  530   2HB   MET  65           HB3      MET  65  14.711  -0.053  -2.578
  531   1HG   MET  65           HG2      MET  65  16.600   1.486  -1.870
  532   2HG   MET  65           HG3      MET  65  17.500   0.024  -1.468
  533   1HE   MET  65           HE1      MET  65  17.251   2.649  -3.923
  534   2HE   MET  65           HE2      MET  65  17.028   1.925  -5.516
  535   3HE   MET  65           HE3      MET  65  15.677   1.986  -4.383
  536    H    VAL  66           HN       VAL  66  12.780   1.287   0.535
  537    HA   VAL  66           HA       VAL  66  10.964  -1.008   0.168
  538    HB   VAL  66           HB       VAL  66   9.656   0.019   2.087
  539   1HG1  VAL  66          HG11      VAL  66  11.130  -1.947   2.349
  540   2HG1  VAL  66          HG12      VAL  66  12.462  -0.866   2.753
  541   3HG1  VAL  66          HG13      VAL  66  11.047  -0.951   3.798
  542   1HG2  VAL  66          HG22      VAL  66  10.768   2.268   1.894
  543   2HG2  VAL  66          HG23      VAL  66  10.687   1.602   3.525
  544   3HG2  VAL  66          HG21      VAL  66  12.200   1.539   2.623
  545    H    TYR  67           HN       TYR  67   8.695  -0.444   0.054
  546    HA   TYR  67           HA       TYR  67   8.107   1.482  -1.993
  547   1HB   TYR  67           HB2      TYR  67   6.594  -0.634  -0.503
  548   2HB   TYR  67           HB3      TYR  67   5.665   0.661  -1.237
  549    HD1  TYR  67           HD2      TYR  67   7.004   1.143  -3.764
  550    HD2  TYR  67           HD1      TYR  67   6.164  -2.524  -1.772
  551    HE1  TYR  67           HE2      TYR  67   6.978  -0.010  -5.927
  552    HE2  TYR  67           HE1      TYR  67   6.131  -3.698  -3.925
  553    HH   TYR  67           HH       TYR  67   7.447  -2.725  -6.579
  554    H    CYS  68           HN       CYS  68   7.192   3.444  -1.731
  555    HA   CYS  68           HA       CYS  68   5.918   4.172   0.773
  556   1HB   CYS  68           HB2      CYS  68   7.262   6.322   0.895
  557   2HB   CYS  68           HB3      CYS  68   8.140   4.861   1.327
  558    HG   CYS  68           HG       CYS  68   9.810   5.666  -0.265
  559    H    LEU  69           HN       LEU  69   4.866   6.312   0.608
  560    HA   LEU  69           HA       LEU  69   3.901   6.744  -2.140
  561   1HB   LEU  69           HB2      LEU  69   2.404   6.037  -0.047
  562   2HB   LEU  69           HB3      LEU  69   2.399   7.771   0.211
  563    HG   LEU  69           HG       LEU  69   1.512   8.078  -2.091
  564   1HD1  LEU  69          HD13      LEU  69   2.176   5.298  -2.297
  565   2HD1  LEU  69          HD11      LEU  69   0.444   5.501  -2.552
  566   3HD1  LEU  69          HD12      LEU  69   1.590   6.397  -3.546
  567   1HD2  LEU  69          HD21      LEU  69   0.087   7.932  -0.048
  568   2HD2  LEU  69          HD22      LEU  69  -0.721   7.483  -1.549
  569   3HD2  LEU  69          HD23      LEU  69  -0.179   6.233  -0.429
  570    HA   PRO  70           HA       PRO  70   5.815  10.806  -1.966
  571   1HB   PRO  70           HB2      PRO  70   3.831  11.515  -4.058
  572   2HB   PRO  70           HB3      PRO  70   5.593  11.594  -4.104
  573   1HG   PRO  70           HG2      PRO  70   4.257   9.727  -5.465
  574   2HG   PRO  70           HG3      PRO  70   5.799   9.354  -4.669
  575   1HD   PRO  70           HD2      PRO  70   3.002   8.735  -3.763
  576   2HD   PRO  70           HD3      PRO  70   4.453   7.711  -3.738
  577    H    ALA  71           HN       ALA  71   4.551  13.153  -2.525
  578    HA   ALA  71           HA       ALA  71   2.953  13.641  -0.186
  579   1HB   ALA  71           HB1      ALA  71   3.805  15.414  -2.458
  580   2HB   ALA  71           HB2      ALA  71   2.858  15.972  -1.079
  581   3HB   ALA  71           HB3      ALA  71   4.483  15.336  -0.832
  582    H    GLU  72           HN       GLU  72   1.394  11.985  -1.013
  583    HA   GLU  72           HA       GLU  72  -0.606  11.302  -1.811
  584   1HB   GLU  72           HB2      GLU  72  -1.247  14.241  -1.579
  585   2HB   GLU  72           HB3      GLU  72  -2.428  12.937  -1.658
  586   1HG   GLU  72           HG2      GLU  72  -0.900  12.115   0.430
  587   2HG   GLU  72           HG3      GLU  72  -0.749  13.861   0.584
  588    H    LEU  73           HN       LEU  73   1.212  11.530  -3.824
  589    HA   LEU  73           HA       LEU  73   1.414  11.462  -6.066
  590   1HB   LEU  73           HB2      LEU  73  -0.920  10.394  -5.752
  591   2HB   LEU  73           HB3      LEU  73  -1.551  11.916  -6.353
  592    HG   LEU  73           HG       LEU  73  -0.420  11.607  -8.474
  593   1HD1  LEU  73          HD12      LEU  73   0.904   9.352  -7.042
  594   2HD1  LEU  73          HD13      LEU  73   0.638   9.235  -8.783
  595   3HD1  LEU  73          HD11      LEU  73   1.594  10.563  -8.128
  596   1HD2  LEU  73          HD22      LEU  73  -2.628  10.400  -7.857
  597   2HD2  LEU  73          HD23      LEU  73  -1.786   9.962  -9.342
  598   3HD2  LEU  73          HD21      LEU  73  -1.644   8.938  -7.914
  599    H    GLY  74           HN       GLY  74   2.576  13.479  -5.870
  600   1HA   GLY  74           HA1      GLY  74   1.156  15.937  -6.628
  601   2HA   GLY  74           HA2      GLY  74   2.833  15.809  -6.117
  602    H    VAL  75           HN       VAL  75   0.676  14.829  -8.768
  603    HA   VAL  75           HA       VAL  75   2.632  15.712 -10.731
  604    HB   VAL  75           HB       VAL  75   3.178  13.303 -10.203
  605   1HG1  VAL  75          HG23      VAL  75   0.694  12.687  -9.990
  606   2HG1  VAL  75          HG21      VAL  75   0.725  12.548 -11.747
  607   3HG1  VAL  75          HG22      VAL  75   1.780  11.534 -10.763
  608   1HG2  VAL  75          HG11      VAL  75   3.837  14.343 -12.319
  609   2HG2  VAL  75          HG12      VAL  75   3.486  12.625 -12.501
  610   3HG2  VAL  75          HG13      VAL  75   2.312  13.823 -13.039
  611    HA   PRO  76           HA       PRO  76  -1.270  16.796 -12.610
  612   1HB   PRO  76           HB2      PRO  76  -0.367  17.864 -14.917
  613   2HB   PRO  76           HB3      PRO  76  -0.113  18.644 -13.354
  614   1HG   PRO  76           HG2      PRO  76   1.778  17.012 -14.996
  615   2HG   PRO  76           HG3      PRO  76   2.084  18.494 -14.070
  616   1HD   PRO  76           HD2      PRO  76   2.683  15.949 -13.198
  617   2HD   PRO  76           HD3      PRO  76   2.438  17.344 -12.133
  618    H    THR  77           HN       THR  77  -0.893  14.065 -12.751
  619    HA   THR  77           HA       THR  77  -2.412  13.356 -15.015
  620    HB   THR  77           HB       THR  77  -0.274  13.562 -16.227
  621    HG1  THR  77           HG1      THR  77  -1.153  12.002 -17.298
  622   1HG2  THR  77          HG22      THR  77   0.839  11.895 -14.048
  623   2HG2  THR  77          HG21      THR  77   1.404  11.569 -15.687
  624   3HG2  THR  77          HG23      THR  77   1.578  13.181 -14.999
  625    H    THR  78           HN       THR  78  -1.381  10.569 -15.056
  626    HA   THR  78           HA       THR  78  -1.567   9.571 -12.355
  627    HB   THR  78           HB       THR  78  -3.920   9.884 -12.699
  628    HG1  THR  78           HG1      THR  78  -3.068   7.713 -11.995
  629   1HG2  THR  78          HG23      THR  78  -3.909  10.070 -15.178
  630   2HG2  THR  78          HG22      THR  78  -3.804   8.313 -15.263
  631   3HG2  THR  78          HG21      THR  78  -5.211   9.078 -14.524
   
  No H/Q in entry =         631
  Start of MODEL   23
    1   1H    MET   1           HT2      MET   1 -30.505  -1.774   5.766
    2   2H    MET   1           HT1      MET   1 -29.992  -3.402   5.528
    3   3H    MET   1           HT3      MET   1 -29.469  -2.531   6.914
    4    HA   MET   1           HA       MET   1 -27.731  -2.665   5.343
    5   1HB   MET   1           HB2      MET   1 -29.935  -1.837   3.522
    6   2HB   MET   1           HB3      MET   1 -28.358  -1.138   3.183
    7   1HG   MET   1           HG2      MET   1 -28.732  -4.092   3.537
    8   2HG   MET   1           HG3      MET   1 -28.994  -3.294   1.990
    9   1HE   MET   1           HE2      MET   1 -26.551  -4.495   4.649
   10   2HE   MET   1           HE3      MET   1 -26.565  -5.592   3.270
   11   3HE   MET   1           HE1      MET   1 -25.095  -4.708   3.679
   12    H    ARG   2           HN       ARG   2 -27.039  -1.412   7.102
   13    HA   ARG   2           HA       ARG   2 -26.671   1.387   6.502
   14   1HB   ARG   2           HB2      ARG   2 -28.268   0.474   8.891
   15   2HB   ARG   2           HB3      ARG   2 -27.309   1.942   8.986
   16   1HG   ARG   2           HG2      ARG   2 -29.607   1.401   7.114
   17   2HG   ARG   2           HG3      ARG   2 -29.575   2.521   8.475
   18   1HD   ARG   2           HD2      ARG   2 -27.728   3.758   7.282
   19   2HD   ARG   2           HD3      ARG   2 -28.043   2.744   5.880
   20    HE   ARG   2           HE       ARG   2 -29.510   5.031   6.670
   21   1HH1  ARG   2          HH12      ARG   2 -29.870   1.865   5.239
   22   2HH1  ARG   2          HH11      ARG   2 -31.301   2.281   4.339
   23   1HH2  ARG   2          HH22      ARG   2 -31.381   5.606   5.502
   24   2HH2  ARG   2          HH21      ARG   2 -32.157   4.424   4.479
   25    H    SER   3           HN       SER   3 -24.834   2.235   7.481
   26    HA   SER   3           HA       SER   3 -22.733   2.216   8.343
   27   1HB   SER   3           HB2      SER   3 -23.803   0.135  10.281
   28   2HB   SER   3           HB3      SER   3 -22.311   1.057  10.464
   29    HG   SER   3           HG       SER   3 -24.862   1.760  11.069
   30    H    SER   4           HN       SER   4 -22.392   1.182   6.153
   31    HA   SER   4           HA       SER   4 -20.743  -1.190   6.497
   32   1HB   SER   4           HB2      SER   4 -23.039  -1.133   4.514
   33   2HB   SER   4           HB3      SER   4 -21.795  -2.381   4.598
   34    HG   SER   4           HG       SER   4 -22.978  -1.948   7.019
   35    H    ALA   5           HN       ALA   5 -18.905  -0.853   5.484
   36    HA   ALA   5           HA       ALA   5 -18.731   0.337   2.865
   37   1HB   ALA   5           HB2      ALA   5 -18.850   2.327   4.414
   38   2HB   ALA   5           HB3      ALA   5 -17.308   1.799   5.087
   39   3HB   ALA   5           HB1      ALA   5 -17.425   2.245   3.385
   40    H    LYS   6           HN       LYS   6 -17.937  -1.770   2.541
   41    HA   LYS   6           HA       LYS   6 -15.899  -2.982   3.973
   42   1HB   LYS   6           HB2      LYS   6 -16.655  -3.469   1.097
   43   2HB   LYS   6           HB3      LYS   6 -15.756  -4.575   2.126
   44   1HG   LYS   6           HG2      LYS   6 -17.871  -4.422   3.660
   45   2HG   LYS   6           HG3      LYS   6 -18.658  -3.873   2.181
   46   1HD   LYS   6           HD2      LYS   6 -19.020  -6.150   2.072
   47   2HD   LYS   6           HD3      LYS   6 -17.540  -5.982   1.121
   48   1HE   LYS   6           HE2      LYS   6 -17.384  -7.871   2.662
   49   2HE   LYS   6           HE3      LYS   6 -16.208  -6.625   3.066
   50   1HZ   LYS   6           HZ3      LYS   6 -18.793  -6.486   4.430
   51   2HZ   LYS   6           HZ2      LYS   6 -17.753  -7.761   4.874
   52   3HZ   LYS   6           HZ1      LYS   6 -17.226  -6.153   5.017
   53    H    GLN   7           HN       GLN   7 -15.629  -1.503   0.814
   54    HA   GLN   7           HA       GLN   7 -12.763  -1.769   0.861
   55   1HB   GLN   7           HB2      GLN   7 -14.491  -1.871  -1.181
   56   2HB   GLN   7           HB3      GLN   7 -14.005  -0.185  -1.315
   57   1HG   GLN   7           HG2      GLN   7 -12.380  -1.072  -2.603
   58   2HG   GLN   7           HG3      GLN   7 -11.589  -1.280  -1.044
   59   1HE2  GLN   7          HE22      GLN   7 -12.163  -4.843  -0.991
   60   2HE2  GLN   7          HE21      GLN   7 -12.179  -3.466   0.048
   61    H    GLU   8           HN       GLU   8 -14.838   0.681   1.966
   62    HA   GLU   8           HA       GLU   8 -12.979   2.876   1.523
   63   1HB   GLU   8           HB2      GLU   8 -15.434   2.692   3.273
   64   2HB   GLU   8           HB3      GLU   8 -14.486   4.149   3.030
   65   1HG   GLU   8           HG2      GLU   8 -15.025   3.444   0.457
   66   2HG   GLU   8           HG3      GLU   8 -16.473   2.873   1.278
   67    H    GLU   9           HN       GLU   9 -11.884   0.611   2.729
   68    HA   GLU   9           HA       GLU   9 -10.752   1.752   5.165
   69   1HB   GLU   9           HB2      GLU   9 -12.103  -0.950   5.026
   70   2HB   GLU   9           HB3      GLU   9 -10.894  -0.567   6.244
   71   1HG   GLU   9           HG2      GLU   9 -12.410   1.440   6.807
   72   2HG   GLU   9           HG3      GLU   9 -13.637   0.576   5.887
   73    H    LEU  10           HN       LEU  10 -10.725  -0.503   2.510
   74    HA   LEU  10           HA       LEU  10  -8.174  -1.667   2.942
   75   1HB   LEU  10           HB2      LEU  10  -9.735  -2.789   1.526
   76   2HB   LEU  10           HB3      LEU  10  -9.909  -1.390   0.488
   77    HG   LEU  10           HG       LEU  10  -7.637  -1.706  -0.365
   78   1HD1  LEU  10          HD11      LEU  10  -7.556  -4.075   1.497
   79   2HD1  LEU  10          HD12      LEU  10  -6.379  -3.742   0.226
   80   3HD1  LEU  10          HD13      LEU  10  -6.553  -2.624   1.577
   81   1HD2  LEU  10          HD22      LEU  10  -9.292  -4.224  -0.458
   82   2HD2  LEU  10          HD23      LEU  10  -9.457  -2.823  -1.516
   83   3HD2  LEU  10          HD21      LEU  10  -7.993  -3.802  -1.573
   84    H    VAL  11           HN       VAL  11  -9.234   1.242   1.201
   85    HA   VAL  11           HA       VAL  11  -6.698   1.723  -0.035
   86    HB   VAL  11           HB       VAL  11  -9.085   3.546   0.371
   87   1HG1  VAL  11          HG11      VAL  11  -6.405   4.078  -0.833
   88   2HG1  VAL  11          HG12      VAL  11  -7.833   4.804  -1.573
   89   3HG1  VAL  11          HG13      VAL  11  -7.450   5.138   0.115
   90   1HG2  VAL  11          HG21      VAL  11  -8.142   1.773  -1.843
   91   2HG2  VAL  11          HG22      VAL  11  -9.758   1.961  -1.164
   92   3HG2  VAL  11          HG23      VAL  11  -9.091   3.213  -2.212
   93    H    LYS  12           HN       LYS  12  -8.377   3.327   2.724
   94    HA   LYS  12           HA       LYS  12  -6.358   5.077   3.436
   95   1HB   LYS  12           HB2      LYS  12  -7.338   5.052   5.698
   96   2HB   LYS  12           HB3      LYS  12  -8.512   5.279   4.419
   97   1HG   LYS  12           HG2      LYS  12  -9.639   3.805   5.702
   98   2HG   LYS  12           HG3      LYS  12  -8.766   2.676   4.675
   99   1HD   LYS  12           HD2      LYS  12  -8.045   1.757   6.596
  100   2HD   LYS  12           HD3      LYS  12  -6.959   3.145   6.646
  101   1HE   LYS  12           HE2      LYS  12  -8.017   2.968   8.783
  102   2HE   LYS  12           HE3      LYS  12  -8.686   4.374   7.961
  103   1HZ   LYS  12           HZ1      LYS  12 -10.007   1.711   7.955
  104   2HZ   LYS  12           HZ3      LYS  12 -10.333   2.902   9.127
  105   3HZ   LYS  12           HZ2      LYS  12 -10.680   3.209   7.488
  106    H    ALA  13           HN       ALA  13  -6.851   1.772   4.501
  107    HA   ALA  13           HA       ALA  13  -4.592   1.516   6.161
  108   1HB   ALA  13           HB3      ALA  13  -6.407  -0.100   6.212
  109   2HB   ALA  13           HB1      ALA  13  -6.019  -0.623   4.572
  110   3HB   ALA  13           HB2      ALA  13  -4.877  -0.912   5.887
  111    H    PHE  14           HN       PHE  14  -5.007   0.725   2.698
  112    HA   PHE  14           HA       PHE  14  -2.492  -0.292   2.078
  113   1HB   PHE  14           HB2      PHE  14  -4.539  -0.153   0.568
  114   2HB   PHE  14           HB3      PHE  14  -4.104   1.493   0.251
  115    HD1  PHE  14           HD2      PHE  14  -3.132  -2.001  -0.266
  116    HD2  PHE  14           HD1      PHE  14  -2.283   2.065  -1.210
  117    HE1  PHE  14           HE2      PHE  14  -1.650  -2.732  -2.075
  118    HE2  PHE  14           HE1      PHE  14  -0.796   1.323  -3.038
  119    HZ   PHE  14           HZ       PHE  14  -0.487  -1.072  -3.458
  120    H    LYS  15           HN       LYS  15  -3.540   3.068   1.494
  121    HA   LYS  15           HA       LYS  15  -1.147   4.262   0.870
  122   1HB   LYS  15           HB2      LYS  15  -3.192   5.604   2.650
  123   2HB   LYS  15           HB3      LYS  15  -2.135   6.362   1.469
  124   1HG   LYS  15           HG2      LYS  15  -4.144   4.356   0.556
  125   2HG   LYS  15           HG3      LYS  15  -4.668   5.977   0.960
  126   1HD   LYS  15           HD2      LYS  15  -2.407   6.309  -0.641
  127   2HD   LYS  15           HD3      LYS  15  -3.283   4.965  -1.365
  128   1HE   LYS  15           HE2      LYS  15  -3.911   7.189  -2.314
  129   2HE   LYS  15           HE3      LYS  15  -5.260   6.295  -1.613
  130   1HZ   LYS  15           HZ2      LYS  15  -3.803   8.527  -0.290
  131   2HZ   LYS  15           HZ1      LYS  15  -5.331   8.626  -1.030
  132   3HZ   LYS  15           HZ3      LYS  15  -5.124   7.675   0.366
  133    H    ALA  16           HN       ALA  16  -2.450   3.739   4.133
  134    HA   ALA  16           HA       ALA  16  -0.433   5.073   5.573
  135   1HB   ALA  16           HB1      ALA  16  -2.284   2.857   6.438
  136   2HB   ALA  16           HB2      ALA  16  -1.265   3.798   7.525
  137   3HB   ALA  16           HB3      ALA  16  -2.541   4.592   6.608
  138    H    LEU  17           HN       LEU  17  -0.735   1.631   4.654
  139    HA   LEU  17           HA       LEU  17   1.489   0.605   6.011
  140   1HB   LEU  17           HB2      LEU  17   0.289  -0.200   3.351
  141   2HB   LEU  17           HB3      LEU  17   1.546  -1.116   4.148
  142    HG   LEU  17           HG       LEU  17  -1.332  -0.848   4.840
  143   1HD1  LEU  17          HD12      LEU  17   0.627  -3.125   4.741
  144   2HD1  LEU  17          HD13      LEU  17  -1.055  -3.277   5.242
  145   3HD1  LEU  17          HD11      LEU  17  -0.666  -2.773   3.598
  146   1HD2  LEU  17          HD22      LEU  17   0.836  -1.460   6.829
  147   2HD2  LEU  17          HD23      LEU  17  -0.329  -0.137   6.886
  148   3HD2  LEU  17          HD21      LEU  17  -0.878  -1.799   7.072
  149    H    LEU  18           HN       LEU  18   1.278   2.032   2.779
  150    HA   LEU  18           HA       LEU  18   4.028   1.726   2.097
  151   1HB   LEU  18           HB2      LEU  18   2.098   3.805   1.055
  152   2HB   LEU  18           HB3      LEU  18   3.570   3.258   0.277
  153    HG   LEU  18           HG       LEU  18   1.289   1.352   0.789
  154   1HD1  LEU  18          HD13      LEU  18   0.728   3.531  -0.562
  155   2HD1  LEU  18          HD11      LEU  18   1.618   2.704  -1.844
  156   3HD1  LEU  18          HD12      LEU  18   0.201   1.949  -1.124
  157   1HD2  LEU  18          HD22      LEU  18   3.556   0.489   0.199
  158   2HD2  LEU  18          HD23      LEU  18   2.294   0.083  -0.970
  159   3HD2  LEU  18          HD21      LEU  18   3.432   1.384  -1.323
  160    H    LYS  19           HN       LYS  19   2.193   4.560   3.267
  161    HA   LYS  19           HA       LYS  19   4.337   6.359   3.295
  162   1HB   LYS  19           HB2      LYS  19   1.752   6.314   4.847
  163   2HB   LYS  19           HB3      LYS  19   2.889   7.653   4.931
  164   1HG   LYS  19           HG2      LYS  19   2.659   8.026   2.532
  165   2HG   LYS  19           HG3      LYS  19   1.545   6.658   2.412
  166   1HD   LYS  19           HD2      LYS  19  -0.048   7.774   3.863
  167   2HD   LYS  19           HD3      LYS  19   1.078   9.108   4.125
  168   1HE   LYS  19           HE2      LYS  19   0.890   9.829   1.858
  169   2HE   LYS  19           HE3      LYS  19   0.017   8.370   1.409
  170   1HZ   LYS  19           HZ3      LYS  19  -1.686   9.182   3.156
  171   2HZ   LYS  19           HZ2      LYS  19  -0.937  10.696   2.938
  172   3HZ   LYS  19           HZ1      LYS  19  -1.661   9.904   1.616
  173    H    GLU  20           HN       GLU  20   3.476   3.912   5.660
  174    HA   GLU  20           HA       GLU  20   5.119   5.024   7.762
  175   1HB   GLU  20           HB2      GLU  20   3.663   2.412   7.419
  176   2HB   GLU  20           HB3      GLU  20   4.793   2.654   8.748
  177   1HG   GLU  20           HG2      GLU  20   3.423   4.773   9.257
  178   2HG   GLU  20           HG3      GLU  20   2.199   4.063   8.209
  179    H    GLU  21           HN       GLU  21   5.718   3.251   4.923
  180    HA   GLU  21           HA       GLU  21   7.565   2.381   3.963
  181   1HB   GLU  21           HB2      GLU  21   9.148   3.752   6.147
  182   2HB   GLU  21           HB3      GLU  21   9.688   3.335   4.528
  183   1HG   GLU  21           HG2      GLU  21   8.108   4.949   3.585
  184   2HG   GLU  21           HG3      GLU  21   7.584   5.384   5.206
  185    H    LYS  22           HN       LYS  22   6.554   0.320   5.001
  186    HA   LYS  22           HA       LYS  22   8.761  -1.106   6.305
  187   1HB   LYS  22           HB2      LYS  22   6.965  -2.298   7.742
  188   2HB   LYS  22           HB3      LYS  22   7.515  -0.705   8.219
  189   1HG   LYS  22           HG2      LYS  22   5.542   0.316   7.695
  190   2HG   LYS  22           HG3      LYS  22   5.093  -0.911   6.510
  191   1HD   LYS  22           HD2      LYS  22   3.941  -2.058   8.039
  192   2HD   LYS  22           HD3      LYS  22   5.331  -2.099   9.125
  193   1HE   LYS  22           HE2      LYS  22   3.571   0.320   8.866
  194   2HE   LYS  22           HE3      LYS  22   3.197  -0.988   9.984
  195   1HZ   LYS  22           HZ3      LYS  22   5.379  -0.645  11.024
  196   2HZ   LYS  22           HZ2      LYS  22   5.680   0.665   9.983
  197   3HZ   LYS  22           HZ1      LYS  22   4.410   0.747  11.119
  198    H    PHE  23           HN       PHE  23   7.616  -1.112   3.543
  199    HA   PHE  23           HA       PHE  23   7.376  -4.015   3.319
  200   1HB   PHE  23           HB2      PHE  23   5.393  -2.180   1.963
  201   2HB   PHE  23           HB3      PHE  23   5.479  -3.928   1.793
  202    HD1  PHE  23           HD2      PHE  23   4.940  -5.389   3.707
  203    HD2  PHE  23           HD1      PHE  23   4.346  -1.185   3.872
  204    HE1  PHE  23           HE2      PHE  23   3.503  -5.680   5.669
  205    HE2  PHE  23           HE1      PHE  23   2.908  -1.466   5.848
  206    HZ   PHE  23           HZ       PHE  23   2.472  -3.716   6.742
  207    H    SER  24           HN       SER  24   8.726  -4.707   1.838
  208    HA   SER  24           HA       SER  24   9.855  -2.817  -0.100
  209   1HB   SER  24           HB2      SER  24  11.466  -4.983  -0.343
  210   2HB   SER  24           HB3      SER  24  11.725  -3.690   0.822
  211    HG   SER  24           HG       SER  24  10.555  -6.239   1.252
  212    H    SER  25           HN       SER  25   7.739  -5.503  -0.031
  213    HA   SER  25           HA       SER  25   7.714  -5.525  -2.972
  214   1HB   SER  25           HB2      SER  25   7.260  -8.059  -2.800
  215   2HB   SER  25           HB3      SER  25   8.919  -7.514  -2.570
  216    HG   SER  25           HG       SER  25   8.113  -9.079  -0.989
  217    H    GLN  26           HN       GLN  26   5.721  -6.487  -3.854
  218    HA   GLN  26           HA       GLN  26   3.386  -5.300  -2.760
  219   1HB   GLN  26           HB2      GLN  26   3.501  -7.499  -4.823
  220   2HB   GLN  26           HB3      GLN  26   2.242  -6.337  -4.584
  221   1HG   GLN  26           HG2      GLN  26   3.227  -5.317  -6.326
  222   2HG   GLN  26           HG3      GLN  26   4.216  -4.626  -5.046
  223   1HE2  GLN  26          HE22      GLN  26   6.448  -5.831  -7.731
  224   2HE2  GLN  26          HE21      GLN  26   5.150  -4.694  -7.605
  225    H    GLY  27           HN       GLY  27   4.237  -8.751  -3.139
  226   1HA   GLY  27           HA1      GLY  27   2.184  -9.994  -1.825
  227   2HA   GLY  27           HA2      GLY  27   3.829 -10.587  -1.804
  228    H    GLU  28           HN       GLU  28   4.777  -8.223  -0.270
  229    HA   GLU  28           HA       GLU  28   4.407  -9.249   2.355
  230   1HB   GLU  28           HB2      GLU  28   6.365  -7.856   1.200
  231   2HB   GLU  28           HB3      GLU  28   5.496  -6.499   1.894
  232   1HG   GLU  28           HG2      GLU  28   5.847  -7.263   4.094
  233   2HG   GLU  28           HG3      GLU  28   6.318  -8.868   3.547
  234    H    ILE  29           HN       ILE  29   3.247  -6.292   0.710
  235    HA   ILE  29           HA       ILE  29   1.683  -5.461   2.988
  236    HB   ILE  29           HB       ILE  29   2.062  -3.514   2.031
  237   1HG1  ILE  29          HG12      ILE  29   0.029  -4.275  -0.062
  238   2HG1  ILE  29          HG13      ILE  29  -0.354  -3.698   1.557
  239   1HG2  ILE  29          HG23      ILE  29   3.705  -4.461   0.498
  240   2HG2  ILE  29          HG21      ILE  29   2.422  -4.781  -0.666
  241   3HG2  ILE  29          HG22      ILE  29   2.821  -3.125  -0.232
  242   1HD1  ILE  29          HD11      ILE  29   1.345  -1.760   0.651
  243   2HD1  ILE  29          HD12      ILE  29   0.476  -2.220  -0.816
  244   3HD1  ILE  29          HD13      ILE  29  -0.417  -1.683   0.607
  245    H    VAL  30           HN       VAL  30   1.205  -7.590   0.338
  246    HA   VAL  30           HA       VAL  30  -1.638  -7.572   0.148
  247    HB   VAL  30           HB       VAL  30   0.342  -9.807  -0.391
  248   1HG1  VAL  30          HG11      VAL  30  -2.620  -9.694  -0.728
  249   2HG1  VAL  30          HG12      VAL  30  -1.638 -10.678  -1.810
  250   3HG1  VAL  30          HG13      VAL  30  -1.618 -10.985  -0.076
  251   1HG2  VAL  30          HG23      VAL  30   0.176  -7.569  -1.798
  252   2HG2  VAL  30          HG21      VAL  30   0.457  -9.129  -2.556
  253   3HG2  VAL  30          HG22      VAL  30  -1.157  -8.436  -2.547
  254    H    ALA  31           HN       ALA  31   0.619  -9.695   1.912
  255    HA   ALA  31           HA       ALA  31  -1.328 -11.099   3.408
  256   1HB   ALA  31           HB2      ALA  31   0.942 -11.945   3.075
  257   2HB   ALA  31           HB3      ALA  31   1.587 -10.632   4.062
  258   3HB   ALA  31           HB1      ALA  31   0.544 -11.854   4.791
  259    H    ALA  32           HN       ALA  32   0.451  -8.101   4.028
  260    HA   ALA  32           HA       ALA  32  -0.148  -7.733   6.732
  261   1HB   ALA  32           HB1      ALA  32   1.479  -6.393   5.412
  262   2HB   ALA  32           HB2      ALA  32   0.123  -5.529   4.689
  263   3HB   ALA  32           HB3      ALA  32   0.412  -5.424   6.427
  264    H    LEU  33           HN       LEU  33  -1.976  -6.542   3.879
  265    HA   LEU  33           HA       LEU  33  -4.057  -5.436   5.504
  266   1HB   LEU  33           HB2      LEU  33  -3.964  -5.925   2.533
  267   2HB   LEU  33           HB3      LEU  33  -5.293  -5.113   3.362
  268    HG   LEU  33           HG       LEU  33  -2.443  -4.120   3.530
  269   1HD1  LEU  33          HD11      LEU  33  -4.549  -3.333   1.533
  270   2HD1  LEU  33          HD12      LEU  33  -3.078  -2.423   1.846
  271   3HD1  LEU  33          HD13      LEU  33  -2.982  -4.061   1.195
  272   1HD2  LEU  33          HD22      LEU  33  -4.985  -3.326   4.665
  273   2HD2  LEU  33          HD23      LEU  33  -3.353  -2.794   5.062
  274   3HD2  LEU  33          HD21      LEU  33  -4.236  -2.021   3.750
  275    H    GLN  34           HN       GLN  34  -3.490  -8.602   4.119
  276    HA   GLN  34           HA       GLN  34  -6.140  -9.612   4.317
  277   1HB   GLN  34           HB2      GLN  34  -3.429 -10.923   4.391
  278   2HB   GLN  34           HB3      GLN  34  -4.883 -11.865   4.691
  279   1HG   GLN  34           HG2      GLN  34  -5.734 -11.383   2.511
  280   2HG   GLN  34           HG3      GLN  34  -4.430 -10.238   2.204
  281   1HE2  GLN  34          HE22      GLN  34  -3.343 -13.171   0.415
  282   2HE2  GLN  34          HE21      GLN  34  -4.467 -11.865   0.281
  283    H    GLU  35           HN       GLU  35  -3.464  -9.392   6.621
  284    HA   GLU  35           HA       GLU  35  -4.789 -10.694   8.794
  285   1HB   GLU  35           HB2      GLU  35  -2.413  -8.819   8.723
  286   2HB   GLU  35           HB3      GLU  35  -2.963  -9.652  10.169
  287   1HG   GLU  35           HG2      GLU  35  -2.507 -11.800   9.140
  288   2HG   GLU  35           HG3      GLU  35  -2.039 -11.008   7.641
  289    H    GLN  36           HN       GLN  36  -4.565  -7.350   7.681
  290    HA   GLN  36           HA       GLN  36  -5.578  -6.019   9.932
  291   1HB   GLN  36           HB2      GLN  36  -5.598  -5.372   6.999
  292   2HB   GLN  36           HB3      GLN  36  -6.411  -4.333   8.150
  293   1HG   GLN  36           HG2      GLN  36  -3.643  -5.036   8.854
  294   2HG   GLN  36           HG3      GLN  36  -3.823  -4.068   7.392
  295   1HE2  GLN  36          HE22      GLN  36  -4.192  -1.130   9.187
  296   2HE2  GLN  36          HE21      GLN  36  -3.687  -1.955   7.754
  297    H    GLY  37           HN       GLY  37  -7.345  -7.244   7.077
  298   1HA   GLY  37           HA1      GLY  37  -9.508  -8.374   8.163
  299   2HA   GLY  37           HA2      GLY  37  -9.904  -6.672   8.366
  300    H    PHE  38           HN       PHE  38  -8.104  -7.752   5.559
  301    HA   PHE  38           HA       PHE  38 -10.510  -7.244   3.908
  302   1HB   PHE  38           HB2      PHE  38  -7.615  -6.732   3.202
  303   2HB   PHE  38           HB3      PHE  38  -9.021  -6.336   2.209
  304    HD1  PHE  38           HD1      PHE  38 -10.717  -4.696   3.176
  305    HD2  PHE  38           HD2      PHE  38  -6.860  -5.276   4.851
  306    HE1  PHE  38           HE1      PHE  38 -10.907  -2.563   4.374
  307    HE2  PHE  38           HE2      PHE  38  -7.042  -3.153   6.052
  308    HZ   PHE  38           HZ       PHE  38  -9.054  -1.793   5.807
  309    H    ASP  39           HN       ASP  39 -11.296  -9.043   3.129
  310    HA   ASP  39           HA       ASP  39  -9.585 -11.328   2.547
  311   1HB   ASP  39           HB2      ASP  39 -11.804 -11.448   3.841
  312   2HB   ASP  39           HB3      ASP  39 -12.560 -11.269   2.269
  313    H    ASN  40           HN       ASN  40 -11.134  -8.831   0.950
  314    HA   ASN  40           HA       ASN  40 -11.146 -10.102  -1.671
  315   1HB   ASN  40           HB2      ASN  40 -13.031  -8.574  -0.894
  316   2HB   ASN  40           HB3      ASN  40 -11.896  -7.237  -1.014
  317   1HD2  ASN  40          HD22      ASN  40 -13.033  -9.119  -4.479
  318   2HD2  ASN  40          HD21      ASN  40 -12.830 -10.024  -3.023
  319    H    ILE  41           HN       ILE  41  -8.677 -10.190  -0.920
  320    HA   ILE  41           HA       ILE  41  -7.298  -8.033  -2.377
  321    HB   ILE  41           HB       ILE  41  -7.077  -8.644   0.456
  322   1HG1  ILE  41          HG12      ILE  41  -7.397  -6.418  -0.823
  323   2HG1  ILE  41          HG13      ILE  41  -6.348  -6.440   0.582
  324   1HG2  ILE  41          HG21      ILE  41  -5.086  -9.933  -0.168
  325   2HG2  ILE  41          HG22      ILE  41  -4.446  -8.518  -1.007
  326   3HG2  ILE  41          HG23      ILE  41  -4.682  -8.476   0.734
  327   1HD1  ILE  41          HD13      ILE  41  -5.056  -6.917  -2.015
  328   2HD1  ILE  41          HD11      ILE  41  -5.645  -5.289  -1.691
  329   3HD1  ILE  41          HD12      ILE  41  -4.477  -6.039  -0.603
  330    H    ASN  42           HN       ASN  42  -5.101  -8.588  -2.971
  331    HA   ASN  42           HA       ASN  42  -4.018 -11.159  -2.914
  332   1HB   ASN  42           HB2      ASN  42  -4.328 -11.847  -5.324
  333   2HB   ASN  42           HB3      ASN  42  -5.781 -11.967  -4.347
  334   1HD2  ASN  42          HD22      ASN  42  -7.627 -10.046  -6.544
  335   2HD2  ASN  42          HD21      ASN  42  -7.548 -11.268  -5.324
  336    H    GLN  43           HN       GLN  43  -2.280 -11.398  -4.720
  337    HA   GLN  43           HA       GLN  43  -0.465  -9.307  -4.517
  338   1HB   GLN  43           HB2      GLN  43   0.021 -11.707  -5.115
  339   2HB   GLN  43           HB3      GLN  43  -0.509 -11.348  -6.751
  340   1HG   GLN  43           HG2      GLN  43   1.283  -9.719  -7.000
  341   2HG   GLN  43           HG3      GLN  43   1.788  -9.997  -5.331
  342   1HE2  GLN  43          HE22      GLN  43   2.503 -12.865  -8.165
  343   2HE2  GLN  43          HE21      GLN  43   1.184 -11.759  -8.339
  344    H    SER  44           HN       SER  44  -2.662 -10.035  -7.219
  345    HA   SER  44           HA       SER  44  -1.736  -8.045  -8.968
  346   1HB   SER  44           HB2      SER  44  -4.551  -9.162  -8.848
  347   2HB   SER  44           HB3      SER  44  -3.712  -8.508 -10.248
  348    HG   SER  44           HG       SER  44  -3.127 -10.914  -8.850
  349    H    LYS  45           HN       LYS  45  -4.357  -7.995  -6.566
  350    HA   LYS  45           HA       LYS  45  -5.318  -5.405  -7.137
  351   1HB   LYS  45           HB2      LYS  45  -6.193  -7.390  -5.551
  352   2HB   LYS  45           HB3      LYS  45  -5.431  -6.394  -4.320
  353   1HG   LYS  45           HG2      LYS  45  -7.056  -4.850  -4.396
  354   2HG   LYS  45           HG3      LYS  45  -7.179  -4.913  -6.154
  355   1HD   LYS  45           HD2      LYS  45  -8.572  -6.849  -6.075
  356   2HD   LYS  45           HD3      LYS  45  -8.274  -7.065  -4.348
  357   1HE   LYS  45           HE2      LYS  45 -10.507  -6.076  -4.916
  358   2HE   LYS  45           HE3      LYS  45  -9.535  -5.123  -3.795
  359   1HZ   LYS  45           HZ2      LYS  45  -9.567  -4.599  -6.717
  360   2HZ   LYS  45           HZ1      LYS  45 -10.676  -3.871  -5.648
  361   3HZ   LYS  45           HZ3      LYS  45  -9.007  -3.576  -5.474
  362    H    VAL  46           HN       VAL  46  -2.646  -6.515  -5.157
  363    HA   VAL  46           HA       VAL  46  -2.150  -3.965  -3.905
  364    HB   VAL  46           HB       VAL  46  -0.701  -6.589  -3.887
  365   1HG1  VAL  46          HG13      VAL  46   0.239  -3.995  -2.667
  366   2HG1  VAL  46          HG11      VAL  46   0.831  -5.578  -2.189
  367   3HG1  VAL  46          HG12      VAL  46   1.096  -5.005  -3.829
  368   1HG2  VAL  46          HG21      VAL  46  -2.451  -5.025  -2.049
  369   2HG2  VAL  46          HG22      VAL  46  -2.414  -6.754  -2.373
  370   3HG2  VAL  46          HG23      VAL  46  -1.191  -6.026  -1.335
  371    H    SER  47           HN       SER  47  -0.637  -5.832  -6.560
  372    HA   SER  47           HA       SER  47   1.399  -3.903  -7.081
  373   1HB   SER  47           HB2      SER  47   1.698  -5.110  -9.226
  374   2HB   SER  47           HB3      SER  47   1.642  -6.206  -7.847
  375    HG   SER  47           HG       SER  47  -0.177  -5.850  -9.933
  376    H    ARG  48           HN       ARG  48  -1.901  -4.345  -8.282
  377    HA   ARG  48           HA       ARG  48  -1.759  -2.313 -10.283
  378   1HB   ARG  48           HB2      ARG  48  -4.064  -3.710  -8.936
  379   2HB   ARG  48           HB3      ARG  48  -4.329  -2.389 -10.063
  380   1HG   ARG  48           HG2      ARG  48  -2.729  -3.852 -11.592
  381   2HG   ARG  48           HG3      ARG  48  -3.363  -5.148 -10.577
  382   1HD   ARG  48           HD2      ARG  48  -4.786  -3.376 -12.518
  383   2HD   ARG  48           HD3      ARG  48  -4.870  -5.127 -12.322
  384    HE   ARG  48           HE       ARG  48  -5.926  -3.860 -10.019
  385   1HH1  ARG  48          HH12      ARG  48  -6.699  -4.426 -13.390
  386   2HH1  ARG  48          HH11      ARG  48  -8.423  -4.365 -13.133
  387   1HH2  ARG  48          HH22      ARG  48  -8.152  -3.774  -9.675
  388   2HH2  ARG  48          HH21      ARG  48  -9.252  -3.987 -11.004
  389    H    MET  49           HN       MET  49  -2.834  -2.309  -6.878
  390    HA   MET  49           HA       MET  49  -3.701   0.391  -6.851
  391   1HB   MET  49           HB2      MET  49  -3.016  -1.586  -4.720
  392   2HB   MET  49           HB3      MET  49  -3.141   0.109  -4.280
  393   1HG   MET  49           HG2      MET  49  -5.413   0.125  -5.331
  394   2HG   MET  49           HG3      MET  49  -5.280  -1.621  -5.477
  395   1HE   MET  49           HE1      MET  49  -5.637  -3.288  -3.624
  396   2HE   MET  49           HE2      MET  49  -4.091  -2.799  -2.937
  397   3HE   MET  49           HE3      MET  49  -5.513  -2.934  -1.903
  398    H    LEU  50           HN       LEU  50  -0.537  -1.100  -6.291
  399    HA   LEU  50           HA       LEU  50   0.819   1.183  -5.330
  400   1HB   LEU  50           HB2      LEU  50   1.675  -1.355  -6.661
  401   2HB   LEU  50           HB3      LEU  50   2.840  -0.054  -6.525
  402    HG   LEU  50           HG       LEU  50   1.369  -0.871  -4.074
  403   1HD1  LEU  50          HD12      LEU  50   3.334  -2.561  -5.527
  404   2HD1  LEU  50          HD13      LEU  50   3.430  -2.486  -3.768
  405   3HD1  LEU  50          HD11      LEU  50   1.947  -3.032  -4.546
  406   1HD2  LEU  50          HD21      LEU  50   4.053   0.261  -4.713
  407   2HD2  LEU  50          HD22      LEU  50   2.758   0.936  -3.721
  408   3HD2  LEU  50          HD23      LEU  50   3.690  -0.438  -3.137
  409    H    THR  51           HN       THR  51   0.282  -0.039  -8.622
  410    HA   THR  51           HA       THR  51   1.696   2.053  -9.967
  411    HB   THR  51           HB       THR  51  -0.506   0.368 -11.186
  412    HG1  THR  51           HG1      THR  51   0.910  -1.038 -10.061
  413   1HG2  THR  51          HG21      THR  51   0.544   2.130 -12.589
  414   2HG2  THR  51          HG23      THR  51   2.086   1.294 -12.399
  415   3HG2  THR  51          HG22      THR  51   0.739   0.491 -13.209
  416    H    LYS  52           HN       LYS  52  -1.734   1.445  -9.273
  417    HA   LYS  52           HA       LYS  52  -2.911   3.610 -10.577
  418   1HB   LYS  52           HB2      LYS  52  -4.283   1.837  -9.776
  419   2HB   LYS  52           HB3      LYS  52  -3.695   2.019  -8.134
  420   1HG   LYS  52           HG2      LYS  52  -5.005   4.437  -9.065
  421   2HG   LYS  52           HG3      LYS  52  -6.051   3.021  -9.171
  422   1HD   LYS  52           HD2      LYS  52  -5.612   2.492  -6.824
  423   2HD   LYS  52           HD3      LYS  52  -4.528   3.876  -6.708
  424   1HE   LYS  52           HE2      LYS  52  -6.769   4.313  -5.765
  425   2HE   LYS  52           HE3      LYS  52  -6.345   5.408  -7.073
  426   1HZ   LYS  52           HZ2      LYS  52  -7.818   2.975  -7.763
  427   2HZ   LYS  52           HZ1      LYS  52  -8.670   4.195  -6.936
  428   3HZ   LYS  52           HZ3      LYS  52  -7.921   4.543  -8.429
  429    H    PHE  53           HN       PHE  53  -1.848   3.397  -7.175
  430    HA   PHE  53           HA       PHE  53  -2.471   6.144  -6.616
  431   1HB   PHE  53           HB2      PHE  53  -0.994   4.017  -5.052
  432   2HB   PHE  53           HB3      PHE  53  -1.189   5.666  -4.461
  433    HD1  PHE  53           HD1      PHE  53  -3.785   6.508  -4.810
  434    HD2  PHE  53           HD2      PHE  53  -2.492   2.505  -4.118
  435    HE1  PHE  53           HE1      PHE  53  -5.996   5.949  -3.892
  436    HE2  PHE  53           HE2      PHE  53  -4.695   1.949  -3.195
  437    HZ   PHE  53           HZ       PHE  53  -6.458   3.667  -3.085
  438    H    GLY  54           HN       GLY  54   0.341   4.460  -7.797
  439   1HA   GLY  54           HA1      GLY  54   2.192   5.409  -8.837
  440   2HA   GLY  54           HA2      GLY  54   1.670   6.993  -8.284
  441    H    ALA  55           HN       ALA  55   2.550   3.966  -6.597
  442    HA   ALA  55           HA       ALA  55   3.996   5.429  -4.569
  443   1HB   ALA  55           HB2      ALA  55   2.659   3.421  -4.055
  444   2HB   ALA  55           HB3      ALA  55   3.792   2.450  -4.995
  445   3HB   ALA  55           HB1      ALA  55   4.336   3.270  -3.530
  446    H    VAL  56           HN       VAL  56   6.199   5.244  -4.073
  447    HA   VAL  56           HA       VAL  56   7.967   4.212  -6.207
  448    HB   VAL  56           HB       VAL  56   9.523   6.043  -5.832
  449   1HG1  VAL  56          HG13      VAL  56   7.523   6.265  -7.427
  450   2HG1  VAL  56          HG11      VAL  56   6.850   7.363  -6.222
  451   3HG1  VAL  56          HG12      VAL  56   8.391   7.735  -6.990
  452   1HG2  VAL  56          HG21      VAL  56   7.660   6.720  -3.607
  453   2HG2  VAL  56          HG22      VAL  56   9.422   6.797  -3.676
  454   3HG2  VAL  56          HG23      VAL  56   8.452   8.047  -4.456
  455    H    ARG  57           HN       ARG  57  10.181   3.693  -5.383
  456    HA   ARG  57           HA       ARG  57  10.019   2.615  -2.637
  457   1HB   ARG  57           HB2      ARG  57  11.651   1.736  -5.017
  458   2HB   ARG  57           HB3      ARG  57  11.962   1.159  -3.387
  459   1HG   ARG  57           HG2      ARG  57   9.312   0.668  -3.591
  460   2HG   ARG  57           HG3      ARG  57   9.806   0.455  -5.267
  461   1HD   ARG  57           HD2      ARG  57  10.909  -0.964  -2.843
  462   2HD   ARG  57           HD3      ARG  57   9.923  -1.667  -4.127
  463    HE   ARG  57           HE       ARG  57  12.063  -0.736  -5.485
  464   1HH1  ARG  57          HH12      ARG  57  11.742  -2.789  -2.672
  465   2HH1  ARG  57          HH11      ARG  57  13.191  -3.689  -2.989
  466   1HH2  ARG  57          HH22      ARG  57  13.968  -1.892  -5.918
  467   2HH2  ARG  57          HH21      ARG  57  14.473  -3.176  -4.846
  468    H    THR  58           HN       THR  58  11.650   3.003  -1.168
  469    HA   THR  58           HA       THR  58  14.013   4.479  -1.889
  470    HB   THR  58           HB       THR  58  11.994   6.159  -1.695
  471    HG1  THR  58           HG1      THR  58  14.170   6.766  -1.935
  472   1HG2  THR  58          HG21      THR  58  11.434   5.273   0.658
  473   2HG2  THR  58          HG23      THR  58  12.791   6.275   1.175
  474   3HG2  THR  58          HG22      THR  58  11.415   7.010   0.355
  475    H    ARG  59           HN       ARG  59  15.172   5.209   0.235
  476    HA   ARG  59           HA       ARG  59  15.397   2.843   1.882
  477   1HB   ARG  59           HB2      ARG  59  17.526   3.571   1.606
  478   2HB   ARG  59           HB3      ARG  59  17.035   5.236   1.329
  479   1HG   ARG  59           HG2      ARG  59  16.999   5.730   3.628
  480   2HG   ARG  59           HG3      ARG  59  17.035   4.029   4.076
  481   1HD   ARG  59           HD2      ARG  59  19.194   5.230   4.419
  482   2HD   ARG  59           HD3      ARG  59  19.304   3.795   3.402
  483    HE   ARG  59           HE       ARG  59  20.066   5.127   1.715
  484   1HH1  ARG  59          HH12      ARG  59  18.254   7.150   3.939
  485   2HH1  ARG  59          HH11      ARG  59  18.603   8.619   3.078
  486   1HH2  ARG  59          HH22      ARG  59  20.528   7.048   0.608
  487   2HH2  ARG  59          HH21      ARG  59  19.907   8.566   1.197
  488    H    ASN  60           HN       ASN  60  14.758   2.602   3.975
  489    HA   ASN  60           HA       ASN  60  13.244   4.810   5.209
  490   1HB   ASN  60           HB2      ASN  60  12.105   3.129   6.571
  491   2HB   ASN  60           HB3      ASN  60  11.925   2.788   4.860
  492   1HD2  ASN  60          HD22      ASN  60  12.517  -0.468   6.227
  493   2HD2  ASN  60          HD21      ASN  60  11.271   0.723   6.049
  494    H    ALA  61           HN       ALA  61  13.255   3.861   7.850
  495    HA   ALA  61           HA       ALA  61  15.495   5.096   8.917
  496   1HB   ALA  61           HB2      ALA  61  13.430   4.788  10.164
  497   2HB   ALA  61           HB3      ALA  61  13.721   3.051  10.249
  498   3HB   ALA  61           HB1      ALA  61  14.807   4.169  11.075
  499    H    LYS  62           HN       LYS  62  15.062   1.674   8.121
  500    HA   LYS  62           HA       LYS  62  17.719   1.078   9.229
  501   1HB   LYS  62           HB2      LYS  62  15.514  -0.803   8.399
  502   2HB   LYS  62           HB3      LYS  62  17.101  -1.287   8.988
  503   1HG   LYS  62           HG2      LYS  62  16.366   0.331  11.002
  504   2HG   LYS  62           HG3      LYS  62  14.775  -0.195  10.460
  505   1HD   LYS  62           HD2      LYS  62  16.990  -2.158  11.015
  506   2HD   LYS  62           HD3      LYS  62  15.927  -1.573  12.296
  507   1HE   LYS  62           HE2      LYS  62  15.040  -2.973   9.766
  508   2HE   LYS  62           HE3      LYS  62  15.154  -3.713  11.362
  509   1HZ   LYS  62           HZ2      LYS  62  13.568  -1.663  11.926
  510   2HZ   LYS  62           HZ1      LYS  62  13.149  -1.884  10.290
  511   3HZ   LYS  62           HZ3      LYS  62  12.973  -3.169  11.398
  512    H    MET  63           HN       MET  63  17.183   2.396   6.573
  513    HA   MET  63           HA       MET  63  18.201   2.450   4.556
  514   1HB   MET  63           HB2      MET  63  20.019   0.189   5.315
  515   2HB   MET  63           HB3      MET  63  20.380   1.657   4.426
  516   1HG   MET  63           HG2      MET  63  20.054   1.311   7.371
  517   2HG   MET  63           HG3      MET  63  21.460   1.884   6.482
  518   1HE   MET  63           HE1      MET  63  22.073   3.955   7.478
  519   2HE   MET  63           HE2      MET  63  21.029   5.311   7.899
  520   3HE   MET  63           HE3      MET  63  20.960   3.821   8.838
  521    H    GLU  64           HN       GLU  64  15.960   0.441   4.936
  522    HA   GLU  64           HA       GLU  64  16.643  -1.562   2.897
  523   1HB   GLU  64           HB2      GLU  64  14.221  -1.242   4.685
  524   2HB   GLU  64           HB3      GLU  64  14.367  -2.489   3.457
  525   1HG   GLU  64           HG2      GLU  64  16.702  -2.719   4.954
  526   2HG   GLU  64           HG3      GLU  64  15.447  -2.395   6.144
  527    H    MET  65           HN       MET  65  15.655  -1.665   0.894
  528    HA   MET  65           HA       MET  65  14.502   0.773  -0.149
  529   1HB   MET  65           HB2      MET  65  15.161  -1.914  -1.361
  530   2HB   MET  65           HB3      MET  65  14.287  -0.690  -2.269
  531   1HG   MET  65           HG2      MET  65  16.539   0.587  -1.165
  532   2HG   MET  65           HG3      MET  65  17.096  -0.949  -1.819
  533   1HE   MET  65           HE2      MET  65  14.626   1.769  -2.379
  534   2HE   MET  65           HE3      MET  65  15.744   2.797  -3.269
  535   3HE   MET  65           HE1      MET  65  14.474   1.921  -4.128
  536    H    VAL  66           HN       VAL  66  12.522   1.016   0.940
  537    HA   VAL  66           HA       VAL  66  10.491  -1.057   0.432
  538    HB   VAL  66           HB       VAL  66   9.265  -0.059   2.383
  539   1HG1  VAL  66          HG13      VAL  66  10.829  -2.098   2.405
  540   2HG1  VAL  66          HG11      VAL  66  11.985  -1.035   3.205
  541   3HG1  VAL  66          HG12      VAL  66  10.422  -1.356   3.951
  542   1HG2  VAL  66          HG23      VAL  66  10.383   2.130   2.409
  543   2HG2  VAL  66          HG21      VAL  66  10.509   1.309   3.961
  544   3HG2  VAL  66          HG22      VAL  66  11.893   1.347   2.874
  545    H    TYR  67           HN       TYR  67   8.331  -0.410   0.077
  546    HA   TYR  67           HA       TYR  67   7.993   1.652  -1.865
  547   1HB   TYR  67           HB2      TYR  67   6.166  -0.323  -0.500
  548   2HB   TYR  67           HB3      TYR  67   5.474   0.988  -1.434
  549    HD1  TYR  67           HD2      TYR  67   7.096   1.185  -3.805
  550    HD2  TYR  67           HD1      TYR  67   5.822  -2.287  -1.692
  551    HE1  TYR  67           HE2      TYR  67   7.246  -0.127  -5.875
  552    HE2  TYR  67           HE1      TYR  67   5.955  -3.609  -3.763
  553    HH   TYR  67           HH       TYR  67   5.862  -2.621  -6.598
  554    H    CYS  68           HN       CYS  68   6.996   3.610  -1.690
  555    HA   CYS  68           HA       CYS  68   5.633   4.434   0.730
  556   1HB   CYS  68           HB2      CYS  68   7.064   6.530   0.885
  557   2HB   CYS  68           HB3      CYS  68   7.812   5.045   1.436
  558    HG   CYS  68           HG       CYS  68   8.973   5.087  -1.073
  559    H    LEU  69           HN       LEU  69   4.659   6.647   0.452
  560    HA   LEU  69           HA       LEU  69   3.833   6.948  -2.347
  561   1HB   LEU  69           HB2      LEU  69   2.433   7.134   0.107
  562   2HB   LEU  69           HB3      LEU  69   2.420   8.736  -0.609
  563    HG   LEU  69           HG       LEU  69   1.406   7.875  -2.641
  564   1HD1  LEU  69          HD13      LEU  69   2.131   5.266  -1.480
  565   2HD1  LEU  69          HD11      LEU  69   0.574   5.353  -2.303
  566   3HD1  LEU  69          HD12      LEU  69   2.048   5.788  -3.163
  567   1HD2  LEU  69          HD22      LEU  69  -0.070   8.493  -0.802
  568   2HD2  LEU  69          HD23      LEU  69  -0.748   7.203  -1.794
  569   3HD2  LEU  69          HD21      LEU  69  -0.038   6.823  -0.223
  570    HA   PRO  70           HA       PRO  70   6.178  10.746  -2.760
  571   1HB   PRO  70           HB2      PRO  70   4.867  11.694  -5.005
  572   2HB   PRO  70           HB3      PRO  70   6.191  10.560  -5.020
  573   1HG   PRO  70           HG2      PRO  70   3.443  10.081  -5.678
  574   2HG   PRO  70           HG3      PRO  70   4.809   8.960  -5.780
  575   1HD   PRO  70           HD2      PRO  70   2.713   9.140  -3.748
  576   2HD   PRO  70           HD3      PRO  70   3.865   7.837  -4.076
  577    H    ALA  71           HN       ALA  71   3.183  11.401  -4.027
  578    HA   ALA  71           HA       ALA  71   2.841  13.927  -2.748
  579   1HB   ALA  71           HB2      ALA  71   2.273  13.476  -5.098
  580   2HB   ALA  71           HB3      ALA  71   0.988  12.393  -4.567
  581   3HB   ALA  71           HB1      ALA  71   0.896  14.115  -4.189
  582    H    GLU  72           HN       GLU  72   0.858  14.556  -1.656
  583    HA   GLU  72           HA       GLU  72  -0.413  14.509   0.194
  584   1HB   GLU  72           HB2      GLU  72  -2.162  12.868   0.387
  585   2HB   GLU  72           HB3      GLU  72  -1.957  13.289  -1.305
  586   1HG   GLU  72           HG2      GLU  72  -1.160  11.215  -1.884
  587   2HG   GLU  72           HG3      GLU  72  -0.561  10.874  -0.264
  588    H    LEU  73           HN       LEU  73   2.302  13.509   0.348
  589    HA   LEU  73           HA       LEU  73   2.171  11.717   2.685
  590   1HB   LEU  73           HB2      LEU  73   3.496  11.082   0.587
  591   2HB   LEU  73           HB3      LEU  73   4.606  12.363   1.010
  592    HG   LEU  73           HG       LEU  73   4.740   9.684   1.787
  593   1HD1  LEU  73          HD12      LEU  73   6.449  11.757   1.688
  594   2HD1  LEU  73          HD13      LEU  73   6.271  11.580   3.436
  595   3HD1  LEU  73          HD11      LEU  73   6.808  10.216   2.461
  596   1HD2  LEU  73          HD23      LEU  73   3.056  10.048   3.517
  597   2HD2  LEU  73          HD21      LEU  73   4.632   9.659   4.195
  598   3HD2  LEU  73          HD22      LEU  73   4.052  11.319   4.219
  599    H    GLY  74           HN       GLY  74   5.185  13.003   2.737
  600   1HA   GLY  74           HA1      GLY  74   4.623  15.576   3.920
  601   2HA   GLY  74           HA2      GLY  74   5.018  14.335   5.100
  602    H    VAL  75           HN       VAL  75   6.211  15.674   2.030
  603    HA   VAL  75           HA       VAL  75   8.875  15.983   3.132
  604    HB   VAL  75           HB       VAL  75   9.030  13.692   2.356
  605   1HG1  VAL  75          HG23      VAL  75   7.153  14.101   0.563
  606   2HG1  VAL  75          HG21      VAL  75   8.525  14.452  -0.489
  607   3HG1  VAL  75          HG22      VAL  75   8.397  12.879   0.299
  608   1HG2  VAL  75          HG11      VAL  75  10.900  15.417   1.938
  609   2HG2  VAL  75          HG12      VAL  75  10.994  13.859   1.118
  610   3HG2  VAL  75          HG13      VAL  75  10.441  15.283   0.240
  611    HA   PRO  76           HA       PRO  76   8.046  19.452   0.344
  612   1HB   PRO  76           HB2      PRO  76   9.895  21.138   1.348
  613   2HB   PRO  76           HB3      PRO  76   8.383  20.796   2.192
  614   1HG   PRO  76           HG2      PRO  76  11.126  19.697   2.687
  615   2HG   PRO  76           HG3      PRO  76   9.896  20.213   3.858
  616   1HD   PRO  76           HD2      PRO  76  10.363  17.589   3.163
  617   2HD   PRO  76           HD3      PRO  76   8.820  18.193   3.799
  618    H    THR  77           HN       THR  77   9.007  20.192  -1.540
  619    HA   THR  77           HA       THR  77  11.415  18.766  -2.404
  620    HB   THR  77           HB       THR  77   9.306  18.882  -3.803
  621    HG1  THR  77           HG1      THR  77  11.233  18.332  -4.792
  622   1HG2  THR  77          HG23      THR  77   8.750  21.273  -3.473
  623   2HG2  THR  77          HG22      THR  77  10.146  21.699  -4.466
  624   3HG2  THR  77          HG21      THR  77   8.814  20.777  -5.163
  625    H    THR  78           HN       THR  78  13.191  19.830  -3.401
  626    HA   THR  78           HA       THR  78  14.953  21.233  -3.359
  627    HB   THR  78           HB       THR  78  14.528  23.567  -4.007
  628    HG1  THR  78           HG1      THR  78  12.310  23.336  -2.721
  629   1HG2  THR  78          HG22      THR  78  13.241  21.326  -5.427
  630   2HG2  THR  78          HG21      THR  78  12.794  22.951  -5.942
  631   3HG2  THR  78          HG23      THR  78  14.484  22.453  -5.962
   
  No H/Q in entry =         631