*HEADER    CELL CYCLE INHIBITOR                    25-JUL-97   1AP7      
*TITLE     P19-INK4D FROM MOUSE, NMR, 20 STRUCTURES                      
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: P19-INK4D;                                         
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: CYCLIN DEPENDENT KINASE 4 INHIBITOR D;              
*COMPND   5 ENGINEERED: YES;                                             
*COMPND   6 BIOLOGICAL_UNIT: MONOMER                                     
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                           
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                      
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                        
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: FUSED TO 5' END OF            
*SOURCE   7 GLUTATHIONE-S-TRANSFERASE GENE;                              
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PGEX 2T                            
*KEYWDS    CELL CYCLE INHIBITOR, CYCLIN DEPENDENT KINASE INHIBITOR,      
*KEYWDS   2 INK, CDKI, ANKYRIN REPEAT                                    
*EXPDTA    NMR, 20 STRUCTURES                                            
*AUTHOR    S.J.ARCHER,F.Y.LUH,P.J.DOMAILLE,B.O.SMITH,E.D.LAUE            
*REVDAT   1   12-OCT-04 1AP7    0   

 ASSI {10912}
     (segid "    " and resid "2   " and name "HA  ")
     (segid "    " and resid "2   " and name "HB1 ")
      5.000     5.000     0.000 peak 10912 weight  0.10000E+01 volume  0.11480E+01 ppm1      4.484 ppm2      3.889
 OR {10912}
     (segid "    " and resid "2   " and name "HA  ")
     (segid "    " and resid "2   " and name "HB2 ")
 ASSI {10914}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HB1 ")
      3.300     3.300     0.000 peak 10914 weight  0.10000E+01 volume  0.34030E+01 ppm1      4.298 ppm2      2.046
 ASSI {10915}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HB2 ")
      2.700     2.700     0.000 peak 10915 weight  0.10000E+01 volume  0.44230E+01 ppm1      4.305 ppm2      1.957
 ASSI {10916}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HG2 ")
      3.300     3.300     0.000 peak 10916 weight  0.10000E+01 volume  0.29960E+01 ppm1      4.296 ppm2      2.209
 ASSI {10918}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HB  ")
      5.000     5.000     0.000 peak 10918 weight  0.10000E+01 volume -0.13210E+01 ppm1      4.177 ppm2      2.110
 ASSI {10919}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HG13")
      2.700     2.700     0.000 peak 10919 weight  0.10000E+01 volume -0.48960E+01 ppm1      4.182 ppm2      0.952
 OR {10919}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HG21")
 OR {10919}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HG11")
 OR {10919}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HG22")
 OR {10919}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HG12")
 OR {10919}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HG23")
 ASSI {10921}
     (segid "    " and resid "8   " and name "HB  ")
     (segid "    " and resid "8   " and name "HG23")
      2.700     2.700     0.000 peak 10921 weight  0.10000E+01 volume  0.55580E+01 ppm1      2.110 ppm2      0.960
 OR {10921}
     (segid "    " and resid "8   " and name "HB  ")
     (segid "    " and resid "8   " and name "HG11")
 OR {10921}
     (segid "    " and resid "8   " and name "HB  ")
     (segid "    " and resid "8   " and name "HG13")
 OR {10921}
     (segid "    " and resid "8   " and name "HB  ")
     (segid "    " and resid "8   " and name "HG22")
 OR {10921}
     (segid "    " and resid "8   " and name "HB  ")
     (segid "    " and resid "8   " and name "HG21")
 OR {10921}
     (segid "    " and resid "8   " and name "HB  ")
     (segid "    " and resid "8   " and name "HG12")
 ASSI {10922}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "10  " and name "HB  ")
      5.000     5.000     0.000 peak 10922 weight  0.10000E+01 volume -0.17370E+01 ppm1      3.898 ppm2      2.283
 ASSI {10923}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "10  " and name "HG12")
      3.300     3.300     0.000 peak 10923 weight  0.10000E+01 volume -0.35250E+01 ppm1      3.900 ppm2      1.124
 OR {10923}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "10  " and name "HG22")
 OR {10923}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "10  " and name "HG13")
 OR {10923}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "10  " and name "HG11")
 OR {10923}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "10  " and name "HG21")
 OR {10923}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "10  " and name "HG23")
 ASSI {10924}
     (segid "    " and resid "10  " and name "HG12")
     (segid "    " and resid "10  " and name "HA  ")
      3.300     3.300     0.000 peak 10924 weight  0.10000E+01 volume -0.24870E+01 ppm1      1.137 ppm2      3.899
 OR {10924}
     (segid "    " and resid "10  " and name "HG13")
     (segid "    " and resid "10  " and name "HA  ")
 OR {10924}
     (segid "    " and resid "10  " and name "HG11")
     (segid "    " and resid "10  " and name "HA  ")
 ASSI {10925}
     (segid "    " and resid "10  " and name "HG13")
     (segid "    " and resid "10  " and name "HB  ")
      3.300     3.300     0.000 peak 10925 weight  0.10000E+01 volume -0.38630E+01 ppm1      1.139 ppm2      2.287
 OR {10925}
     (segid "    " and resid "10  " and name "HG11")
     (segid "    " and resid "10  " and name "HB  ")
 OR {10925}
     (segid "    " and resid "10  " and name "HG12")
     (segid "    " and resid "10  " and name "HB  ")
 ASSI {10264}
     (segid "    " and resid "10  " and name "HG12")
     (segid "    " and resid "11  " and name "HA1 ")
      5.000     5.000     0.000 peak 10264 weight  0.10000E+01 volume -0.85900E+00 ppm1      1.137 ppm2      3.783
 OR {10264}
     (segid "    " and resid "10  " and name "HG11")
     (segid "    " and resid "11  " and name "HA1 ")
 OR {10264}
     (segid "    " and resid "10  " and name "HG13")
     (segid "    " and resid "11  " and name "HA1 ")
 ASSI {10216}
     (segid "    " and resid "11  " and name "HA2 ")
     (segid "    " and resid "10  " and name "HG12")
      6.000     6.000     0.000 peak 10216 weight  0.10000E+01 volume  0.20600E+00 ppm1      3.557 ppm2      1.128
 OR {10216}
     (segid "    " and resid "11  " and name "HA2 ")
     (segid "    " and resid "10  " and name "HG11")
 OR {10216}
     (segid "    " and resid "11  " and name "HA2 ")
     (segid "    " and resid "10  " and name "HG13")
 ASSI {10218}
     (segid "    " and resid "11  " and name "HA1 ")
     (segid "    " and resid "39  " and name "HB2 ")
      5.000     5.000     0.000 peak 10218 weight  0.10000E+01 volume  0.86700E+00 ppm1      3.792 ppm2      1.401
 OR {10218}
     (segid "    " and resid "11  " and name "HA1 ")
     (segid "    " and resid "39  " and name "HB3 ")
 OR {10218}
     (segid "    " and resid "11  " and name "HA1 ")
     (segid "    " and resid "39  " and name "HB1 ")
 ASSI {10215}
     (segid "    " and resid "11  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HB2 ")
      5.000     5.000     0.000 peak 10215 weight  0.10000E+01 volume  0.64300E+00 ppm1      3.558 ppm2      1.398
 OR {10215}
     (segid "    " and resid "11  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HB3 ")
 OR {10215}
     (segid "    " and resid "11  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HB1 ")
 ASSI {10926}
     (segid "    " and resid "12  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HB1 ")
      5.000     5.000     0.000 peak 10926 weight  0.10000E+01 volume  0.14410E+01 ppm1      2.603 ppm2      3.027
 ASSI {10928}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HB1 ")
      5.000     5.000     0.000 peak 10928 weight  0.10000E+01 volume  0.18200E+01 ppm1      4.077 ppm2      2.091
 ASSI {10929}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HD22")
      2.700     2.700     0.000 peak 10929 weight  0.10000E+01 volume  0.43670E+01 ppm1      4.076 ppm2      0.936
 OR {10929}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HD23")
 OR {10929}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HD21")
 ASSI {10930}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HG  ")
      5.000     5.000     0.000 peak 10930 weight  0.10000E+01 volume  0.15900E+01 ppm1      4.074 ppm2      1.532
 ASSI {10933}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "17  " and name "HB3 ")
      2.700     2.700     0.000 peak 10933 weight  0.10000E+01 volume  0.96880E+01 ppm1      4.136 ppm2      1.507
 OR {10933}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "17  " and name "HB2 ")
 OR {10933}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "17  " and name "HB1 ")
 ASSI {10935}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak 10935 weight  0.10000E+01 volume  0.79000E+00 ppm1      3.835 ppm2      3.424
 ASSI {10936}
     (segid "    " and resid "18  " and name "HB3 ")
     (segid "    " and resid "18  " and name "HA  ")
      2.700     2.700     0.000 peak 10936 weight  0.10000E+01 volume -0.48520E+01 ppm1      1.326 ppm2      3.835
 OR {10936}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HA  ")
 OR {10936}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HA  ")
 ASSI {10937}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak 10937 weight  0.10000E+01 volume -0.13870E+01 ppm1      1.326 ppm2      3.434
 OR {10937}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HA  ")
 OR {10937}
     (segid "    " and resid "18  " and name "HB3 ")
     (segid "    " and resid "51  " and name "HA  ")
 ASSI {10938}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak 10938 weight  0.10000E+01 volume  0.13950E+01 ppm1      4.291 ppm2      3.438
 ASSI {10939}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak 10939 weight  0.10000E+01 volume -0.87700E+00 ppm1      1.547 ppm2      3.450
 OR {10939}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HA  ")
 OR {10939}
     (segid "    " and resid "19  " and name "HB3 ")
     (segid "    " and resid "51  " and name "HA  ")
 ASSI {10940}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "20  " and name "HD1 ")
      6.000     6.000     0.000 peak 10940 weight  0.10000E+01 volume  0.24700E+00 ppm1      4.524 ppm2      3.349
 ASSI {10941}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "20  " and name "HD2 ")
      5.000     5.000     0.000 peak 10941 weight  0.10000E+01 volume  0.53300E+00 ppm1      4.516 ppm2      3.237
 ASSI {10943}
     (segid "    " and resid "21  " and name "HA1 ")
     (segid "    " and resid "21  " and name "HA2 ")
      3.300     3.300     0.000 peak 10943 weight  0.10000E+01 volume  0.21450E+01 ppm1      4.286 ppm2      3.566
 ASSI {10944}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "22  " and name "HB1 ")
      5.000     5.000     0.000 peak 10944 weight  0.10000E+01 volume  0.11810E+01 ppm1      4.725 ppm2      3.062
 ASSI {10945}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "22  " and name "HB2 ")
      5.000     5.000     0.000 peak 10945 weight  0.10000E+01 volume  0.14580E+01 ppm1      4.718 ppm2      2.448
 ASSI {10954}
     (segid "    " and resid "22  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HB1 ")
      5.000     5.000     0.000 peak 10954 weight  0.10000E+01 volume  0.13550E+01 ppm1      2.436 ppm2      3.077
 ASSI {10958}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HB  ")
      5.000     5.000     0.000 peak 10958 weight  0.10000E+01 volume -0.11300E+01 ppm1      3.381 ppm2      1.968
 ASSI {10962}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "23  " and name "HB  ")
      2.700     2.700     0.000 peak 10962 weight  0.10000E+01 volume -0.80080E+01 ppm1      0.933 ppm2      1.967
 OR {10962}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "23  " and name "HB  ")
 OR {10962}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "23  " and name "HB  ")
 ASSI {10963}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "23  " and name "HA  ")
      5.000     5.000     0.000 peak 10963 weight  0.10000E+01 volume -0.13930E+01 ppm1      0.913 ppm2      3.386
 OR {10963}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "23  " and name "HA  ")
 OR {10963}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI {10964}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "23  " and name "HB  ")
      3.300     3.300     0.000 peak 10964 weight  0.10000E+01 volume -0.37270E+01 ppm1      0.918 ppm2      1.967
 OR {10964}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "23  " and name "HB  ")
 OR {10964}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "23  " and name "HB  ")
 ASSI {10970}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "25  " and name "HB1 ")
      3.300     3.300     0.000 peak 10970 weight  0.10000E+01 volume  0.23760E+01 ppm1      4.633 ppm2      1.963
 ASSI {10971}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "25  " and name "HB2 ")
      5.000     5.000     0.000 peak 10971 weight  0.10000E+01 volume  0.12990E+01 ppm1      4.631 ppm2      1.609
 ASSI {10972}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "25  " and name "HG1 ")
      5.000     5.000     0.000 peak 10972 weight  0.10000E+01 volume  0.56300E+00 ppm1      4.635 ppm2      2.345
 ASSI {10973}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "25  " and name "HG2 ")
      5.000     5.000     0.000 peak 10973 weight  0.10000E+01 volume  0.98100E+00 ppm1      4.634 ppm2      2.145
 ASSI {10979}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HB  ")
      5.000     5.000     0.000 peak 10979 weight  0.10000E+01 volume -0.79300E+00 ppm1      3.385 ppm2      2.167
 ASSI {10981}
     (segid "    " and resid "26  " and name "HG12")
     (segid "    " and resid "26  " and name "HB  ")
      2.700     2.700     0.000 peak 10981 weight  0.10000E+01 volume -0.57680E+01 ppm1      0.926 ppm2      2.180
 OR {10981}
     (segid "    " and resid "26  " and name "HG11")
     (segid "    " and resid "26  " and name "HB  ")
 OR {10981}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "26  " and name "HB  ")
 ASSI {10982}
     (segid "    " and resid "26  " and name "HG23")
     (segid "    " and resid "26  " and name "HA  ")
      3.300     3.300     0.000 peak 10982 weight  0.10000E+01 volume -0.25230E+01 ppm1      0.819 ppm2      3.381
 OR {10982}
     (segid "    " and resid "26  " and name "HG22")
     (segid "    " and resid "26  " and name "HA  ")
 OR {10982}
     (segid "    " and resid "26  " and name "HG21")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI {10983}
     (segid "    " and resid "26  " and name "HG22")
     (segid "    " and resid "26  " and name "HB  ")
      3.300     3.300     0.000 peak 10983 weight  0.10000E+01 volume -0.30140E+01 ppm1      0.819 ppm2      2.180
 OR {10983}
     (segid "    " and resid "26  " and name "HG21")
     (segid "    " and resid "26  " and name "HB  ")
 OR {10983}
     (segid "    " and resid "26  " and name "HG23")
     (segid "    " and resid "26  " and name "HB  ")
 ASSI {10984}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD2 ")
      5.000     5.000     0.000 peak 10984 weight  0.10000E+01 volume -0.38700E+00 ppm1      3.675 ppm2      3.107
 OR {10984}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD1 ")
 ASSI {10986}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak 10986 weight  0.10000E+01 volume -0.12790E+01 ppm1      1.892 ppm2      3.661
 OR {10986}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI {10987}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HD2 ")
      3.300     3.300     0.000 peak 10987 weight  0.10000E+01 volume -0.24110E+01 ppm1      1.886 ppm2      3.114
 OR {10987}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR {10987}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR {10987}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI {10993}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak 10993 weight  0.10000E+01 volume -0.89700E+00 ppm1      1.691 ppm2      3.678
 ASSI {10994}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak 10994 weight  0.10000E+01 volume -0.55100E+00 ppm1      1.486 ppm2      3.675
 ASSI {10995}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HB1 ")
      3.300     3.300     0.000 peak 10995 weight  0.10000E+01 volume -0.21710E+01 ppm1      1.486 ppm2      1.886
 OR {10995}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI {10996}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HD2 ")
      3.300     3.300     0.000 peak 10996 weight  0.10000E+01 volume -0.24660E+01 ppm1      1.700 ppm2      3.114
 OR {10996}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HD1 ")
 ASSI {10997}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HD1 ")
      5.000     5.000     0.000 peak 10997 weight  0.10000E+01 volume -0.12330E+01 ppm1      1.486 ppm2      3.087
 OR {10997}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI {10998}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HG1 ")
      3.300     3.300     0.000 peak 10998 weight  0.10000E+01 volume -0.26940E+01 ppm1      1.496 ppm2      1.711
 ASSI {11001}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "28  " and name "HD2 ")
      5.000     5.000     0.000 peak 11001 weight  0.10000E+01 volume -0.31200E+00 ppm1      3.995 ppm2      3.034
 ASSI {11002}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HA  ")
      3.300     3.300     0.000 peak 11002 weight  0.10000E+01 volume -0.22560E+01 ppm1      1.964 ppm2      3.992
 OR {11002}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI {11003}
     (segid "    " and resid "28  " and name "HD1 ")
     (segid "    " and resid "28  " and name "HA  ")
      6.000     6.000     0.000 peak 11003 weight  0.10000E+01 volume  0.14300E+00 ppm1      3.426 ppm2      3.994
 ASSI {11005}
     (segid "    " and resid "28  " and name "HD1 ")
     (segid "    " and resid "28  " and name "HB2 ")
      5.000     5.000     0.000 peak 11005 weight  0.10000E+01 volume  0.77300E+00 ppm1      3.417 ppm2      1.964
 OR {11005}
     (segid "    " and resid "28  " and name "HD1 ")
     (segid "    " and resid "28  " and name "HB1 ")
 ASSI {11006}
     (segid "    " and resid "28  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HB1 ")
      5.000     5.000     0.000 peak 11006 weight  0.10000E+01 volume  0.10090E+01 ppm1      3.023 ppm2      1.969
 OR {11006}
     (segid "    " and resid "28  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HB2 ")
 ASSI {11007}
     (segid "    " and resid "28  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HD1 ")
      3.300     3.300     0.000 peak 11007 weight  0.10000E+01 volume  0.20250E+01 ppm1      3.024 ppm2      3.414
 ASSI {11009}
     (segid "    " and resid "28  " and name "HD1 ")
     (segid "    " and resid "28  " and name "HG1 ")
      5.000     5.000     0.000 peak 11009 weight  0.10000E+01 volume  0.87100E+00 ppm1      3.424 ppm2      1.673
 ASSI {11010}
     (segid "    " and resid "28  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HG1 ")
      5.000     5.000     0.000 peak 11010 weight  0.10000E+01 volume  0.10860E+01 ppm1      3.022 ppm2      1.673
 ASSI {11011}
     (segid "    " and resid "28  " and name "HD1 ")
     (segid "    " and resid "28  " and name "HG2 ")
      5.000     5.000     0.000 peak 11011 weight  0.10000E+01 volume  0.69700E+00 ppm1      3.424 ppm2      1.535
 ASSI {11014}
     (segid "    " and resid "28  " and name "HG2 ")
     (segid "    " and resid "28  " and name "HD2 ")
      5.000     5.000     0.000 peak 11014 weight  0.10000E+01 volume -0.47700E+00 ppm1      1.530 ppm2      3.011
 ASSI {11015}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     5.000     0.000 peak 11015 weight  0.10000E+01 volume  0.60200E+00 ppm1      1.992 ppm2      3.895
 ASSI {11016}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HB1 ")
      5.000     5.000     0.000 peak 11016 weight  0.10000E+01 volume  0.12730E+01 ppm1      4.230 ppm2      1.594
 ASSI {11017}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HB2 ")
      3.300     3.300     0.000 peak 11017 weight  0.10000E+01 volume  0.23870E+01 ppm1      4.228 ppm2      0.990
 ASSI {11018}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD12")
      5.000     5.000     0.000 peak 11018 weight  0.10000E+01 volume  0.16630E+01 ppm1      4.229 ppm2      0.670
 OR {11018}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD13")
 OR {11018}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD11")
 ASSI {11019}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD21")
      3.300     3.300     0.000 peak 11019 weight  0.10000E+01 volume  0.29250E+01 ppm1      4.228 ppm2      0.765
 OR {11019}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD23")
 OR {11019}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD22")
 ASSI {11020}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG  ")
      5.000     5.000     0.000 peak 11020 weight  0.10000E+01 volume  0.13660E+01 ppm1      4.224 ppm2      1.969
 ASSI {11023}
     (segid "    " and resid "30  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HB1 ")
      5.000     5.000     0.000 peak 11023 weight  0.10000E+01 volume  0.86600E+00 ppm1      1.002 ppm2      1.577
 ASSI {11024}
     (segid "    " and resid "30  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD13")
      5.000     5.000     0.000 peak 11024 weight  0.10000E+01 volume  0.10790E+01 ppm1      1.582 ppm2      0.669
 OR {11024}
     (segid "    " and resid "30  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD11")
 OR {11024}
     (segid "    " and resid "30  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD12")
 ASSI {11025}
     (segid "    " and resid "30  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HD13")
      5.000     5.000     0.000 peak 11025 weight  0.10000E+01 volume  0.54400E+00 ppm1      1.012 ppm2      0.659
 OR {11025}
     (segid "    " and resid "30  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HD12")
 OR {11025}
     (segid "    " and resid "30  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HD11")
 ASSI {11027}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "30  " and name "HG  ")
      3.300     3.300     0.000 peak 11027 weight  0.10000E+01 volume -0.29720E+01 ppm1      0.659 ppm2      1.967
 OR {11027}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "30  " and name "HG  ")
 OR {11027}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "30  " and name "HG  ")
 ASSI {11029}
     (segid "    " and resid "30  " and name "HD21")
     (segid "    " and resid "30  " and name "HG  ")
      2.700     2.700     0.000 peak 11029 weight  0.10000E+01 volume -0.78250E+01 ppm1      0.766 ppm2      1.967
 OR {11029}
     (segid "    " and resid "30  " and name "HD22")
     (segid "    " and resid "30  " and name "HG  ")
 OR {11029}
     (segid "    " and resid "30  " and name "HD23")
     (segid "    " and resid "30  " and name "HG  ")
 ASSI {11031}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "31  " and name "HB1 ")
      3.300     3.300     0.000 peak 11031 weight  0.10000E+01 volume  0.23590E+01 ppm1      4.648 ppm2      3.129
 ASSI {11032}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "31  " and name "HB2 ")
      3.300     3.300     0.000 peak 11032 weight  0.10000E+01 volume  0.21740E+01 ppm1      4.645 ppm2      3.045
 ASSI {11033}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "31  " and name "HD2 ")
      6.000     6.000     0.000 peak 11033 weight  0.10000E+01 volume  0.29400E+00 ppm1      4.652 ppm2      6.954
 ASSI {11036}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HD2 ")
      6.000     6.000     0.000 peak 11036 weight  0.10000E+01 volume -0.17200E+00 ppm1      3.143 ppm2      6.946
 ASSI {11037}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HD2 ")
      6.000     6.000     0.000 peak 11037 weight  0.10000E+01 volume -0.17100E+00 ppm1      3.085 ppm2      6.949
 ASSI {11040}
     (segid "    " and resid "32  " and name "HA  ")
     (segid "    " and resid "32  " and name "HB1 ")
      5.000     5.000     0.000 peak 11040 weight  0.10000E+01 volume  0.13840E+01 ppm1      4.670 ppm2      2.206
 ASSI {11041}
     (segid "    " and resid "32  " and name "HA  ")
     (segid "    " and resid "32  " and name "HB2 ")
      5.000     5.000     0.000 peak 11041 weight  0.10000E+01 volume  0.13670E+01 ppm1      4.669 ppm2      2.083
 ASSI {11042}
     (segid "    " and resid "32  " and name "HA  ")
     (segid "    " and resid "32  " and name "HD1 ")
      5.000     5.000     0.000 peak 11042 weight  0.10000E+01 volume  0.84400E+00 ppm1      4.667 ppm2      3.250
 OR {11042}
     (segid "    " and resid "32  " and name "HA  ")
     (segid "    " and resid "32  " and name "HD2 ")
 ASSI {11043}
     (segid "    " and resid "32  " and name "HA  ")
     (segid "    " and resid "32  " and name "HG1 ")
      5.000     5.000     0.000 peak 11043 weight  0.10000E+01 volume  0.50000E+00 ppm1      4.666 ppm2      1.830
 ASSI {11044}
     (segid "    " and resid "32  " and name "HA  ")
     (segid "    " and resid "32  " and name "HG2 ")
      5.000     5.000     0.000 peak 11044 weight  0.10000E+01 volume  0.87200E+00 ppm1      4.672 ppm2      1.710
 ASSI {11047}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HD1 ")
      5.000     5.000     0.000 peak 11047 weight  0.10000E+01 volume -0.62900E+00 ppm1      2.207 ppm2      3.248
 OR {11047}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HD2 ")
 ASSI {11048}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "32  " and name "HD1 ")
      3.300     3.300     0.000 peak 11048 weight  0.10000E+01 volume -0.27970E+01 ppm1      2.073 ppm2      3.248
 OR {11048}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "32  " and name "HD2 ")
 ASSI {11052}
     (segid "    " and resid "32  " and name "HD2 ")
     (segid "    " and resid "32  " and name "HG1 ")
      2.700     2.700     0.000 peak 11052 weight  0.10000E+01 volume  0.65240E+01 ppm1      3.265 ppm2      1.822
 OR {11052}
     (segid "    " and resid "32  " and name "HD1 ")
     (segid "    " and resid "32  " and name "HG1 ")
 ASSI {11053}
     (segid "    " and resid "32  " and name "HD1 ")
     (segid "    " and resid "32  " and name "HG2 ")
      2.700     2.700     0.000 peak 11053 weight  0.10000E+01 volume  0.53450E+01 ppm1      3.257 ppm2      1.723
 OR {11053}
     (segid "    " and resid "32  " and name "HD2 ")
     (segid "    " and resid "32  " and name "HG2 ")
 ASSI {11056}
     (segid "    " and resid "32  " and name "HG1 ")
     (segid "    " and resid "32  " and name "HB2 ")
      2.700     2.700     0.000 peak 11056 weight  0.10000E+01 volume -0.47340E+01 ppm1      1.833 ppm2      2.073
 ASSI {11058}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB1 ")
      5.000     5.000     0.000 peak 11058 weight  0.10000E+01 volume  0.17890E+01 ppm1      4.465 ppm2      2.415
 ASSI {11059}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "33  " and name "HG2 ")
      5.000     5.000     0.000 peak 11059 weight  0.10000E+01 volume  0.18850E+01 ppm1      4.464 ppm2      2.205
 ASSI {11061}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "33  " and name "HA  ")
      5.000     5.000     0.000 peak 11061 weight  0.10000E+01 volume  0.79100E+00 ppm1      2.291 ppm2      4.456
 ASSI {11063}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "34  " and name "HB1 ")
      5.000     5.000     0.000 peak 11063 weight  0.10000E+01 volume  0.16070E+01 ppm1      4.023 ppm2      1.983
 ASSI {11064}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "34  " and name "HB2 ")
      3.300     3.300     0.000 peak 11064 weight  0.10000E+01 volume  0.22650E+01 ppm1      4.025 ppm2      1.621
 ASSI {11068}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HB1 ")
      5.000     5.000     0.000 peak 11068 weight  0.10000E+01 volume  0.19300E+01 ppm1      1.625 ppm2      1.977
 ASSI {11071}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HD13")
      5.000     5.000     0.000 peak 11071 weight  0.10000E+01 volume  0.14850E+01 ppm1      1.630 ppm2      0.924
 OR {11071}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HD12")
 OR {11071}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HD11")
 ASSI {11072}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HD23")
      5.000     5.000     0.000 peak 11072 weight  0.10000E+01 volume  0.12010E+01 ppm1      1.628 ppm2      0.852
 OR {11072}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HD22")
 OR {11072}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HD21")
 ASSI {11073}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HG  ")
      5.000     5.000     0.000 peak 11073 weight  0.10000E+01 volume  0.94300E+00 ppm1      1.989 ppm2      1.399
 ASSI {11074}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HG  ")
      5.000     5.000     0.000 peak 11074 weight  0.10000E+01 volume  0.91600E+00 ppm1      1.625 ppm2      1.386
 ASSI {11075}
     (segid "    " and resid "34  " and name "HD12")
     (segid "    " and resid "34  " and name "HB1 ")
      2.700     2.700     0.000 peak 11075 weight  0.10000E+01 volume -0.43220E+01 ppm1      0.923 ppm2      1.988
 OR {11075}
     (segid "    " and resid "34  " and name "HD11")
     (segid "    " and resid "34  " and name "HB1 ")
 OR {11075}
     (segid "    " and resid "34  " and name "HD13")
     (segid "    " and resid "34  " and name "HB1 ")
 ASSI {11076}
     (segid "    " and resid "34  " and name "HD12")
     (segid "    " and resid "34  " and name "HG  ")
      2.700     2.700     0.000 peak 11076 weight  0.10000E+01 volume -0.67360E+01 ppm1      0.926 ppm2      1.392
 OR {11076}
     (segid "    " and resid "34  " and name "HD13")
     (segid "    " and resid "34  " and name "HG  ")
 OR {11076}
     (segid "    " and resid "34  " and name "HD11")
     (segid "    " and resid "34  " and name "HG  ")
 ASSI {11077}
     (segid "    " and resid "34  " and name "HD22")
     (segid "    " and resid "34  " and name "HA  ")
      2.700     2.700     0.000 peak 11077 weight  0.10000E+01 volume -0.49440E+01 ppm1      0.846 ppm2      4.021
 OR {11077}
     (segid "    " and resid "34  " and name "HD21")
     (segid "    " and resid "34  " and name "HA  ")
 OR {11077}
     (segid "    " and resid "34  " and name "HD23")
     (segid "    " and resid "34  " and name "HA  ")
 ASSI {11078}
     (segid "    " and resid "34  " and name "HD21")
     (segid "    " and resid "34  " and name "HG  ")
      2.700     2.700     0.000 peak 11078 weight  0.10000E+01 volume -0.59080E+01 ppm1      0.846 ppm2      1.379
 OR {11078}
     (segid "    " and resid "34  " and name "HD22")
     (segid "    " and resid "34  " and name "HG  ")
 OR {11078}
     (segid "    " and resid "34  " and name "HD23")
     (segid "    " and resid "34  " and name "HG  ")
 ASSI {11079}
     (segid "    " and resid "34  " and name "HG  ")
     (segid "    " and resid "34  " and name "HA  ")
      5.000     5.000     0.000 peak 11079 weight  0.10000E+01 volume -0.64100E+00 ppm1      1.379 ppm2      4.021
 ASSI {11083}
     (segid "    " and resid "35  " and name "HA  ")
     (segid "    " and resid "35  " and name "HB  ")
      5.000     5.000     0.000 peak 11083 weight  0.10000E+01 volume -0.74900E+00 ppm1      3.794 ppm2      1.597
 ASSI {11085}
     (segid "    " and resid "35  " and name "HB  ")
     (segid "    " and resid "35  " and name "HG11")
      3.300     3.300     0.000 peak 11085 weight  0.10000E+01 volume -0.38110E+01 ppm1      1.593 ppm2      0.952
 OR {11085}
     (segid "    " and resid "35  " and name "HB  ")
     (segid "    " and resid "35  " and name "HG22")
 OR {11085}
     (segid "    " and resid "35  " and name "HB  ")
     (segid "    " and resid "35  " and name "HG12")
 OR {11085}
     (segid "    " and resid "35  " and name "HB  ")
     (segid "    " and resid "35  " and name "HG21")
 OR {11085}
     (segid "    " and resid "35  " and name "HB  ")
     (segid "    " and resid "35  " and name "HG13")
 OR {11085}
     (segid "    " and resid "35  " and name "HB  ")
     (segid "    " and resid "35  " and name "HG23")
 ASSI {11086}
     (segid "    " and resid "35  " and name "HG22")
     (segid "    " and resid "35  " and name "HB  ")
      2.700     2.700     0.000 peak 11086 weight  0.10000E+01 volume -0.43200E+01 ppm1      0.926 ppm2      1.593
 OR {11086}
     (segid "    " and resid "35  " and name "HG21")
     (segid "    " and resid "35  " and name "HB  ")
 OR {11086}
     (segid "    " and resid "35  " and name "HG23")
     (segid "    " and resid "35  " and name "HB  ")
 ASSI {11087}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HB1 ")
      5.000     5.000     0.000 peak 11087 weight  0.10000E+01 volume  0.11280E+01 ppm1      4.379 ppm2      3.203
 ASSI {11088}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HB2 ")
      5.000     5.000     0.000 peak 11088 weight  0.10000E+01 volume  0.15040E+01 ppm1      4.381 ppm2      2.881
 ASSI {11089}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HD1 ")
      5.000     5.000     0.000 peak 11089 weight  0.10000E+01 volume  0.15980E+01 ppm1      4.380 ppm2      3.283
 ASSI {11090}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HD2 ")
      5.000     5.000     0.000 peak 11090 weight  0.10000E+01 volume  0.16240E+01 ppm1      4.379 ppm2      2.546
 ASSI {11091}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HG1 ")
      5.000     5.000     0.000 peak 11091 weight  0.10000E+01 volume  0.91500E+00 ppm1      4.378 ppm2      1.682
 ASSI {11092}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HG2 ")
      5.000     5.000     0.000 peak 11092 weight  0.10000E+01 volume  0.52200E+00 ppm1      4.377 ppm2      1.381
 ASSI {11095}
     (segid "    " and resid "36  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HB1 ")
      5.000     5.000     0.000 peak 11095 weight  0.10000E+01 volume -0.15110E+01 ppm1      2.883 ppm2      3.194
 ASSI {11097}
     (segid "    " and resid "36  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HA  ")
      6.000     6.000     0.000 peak 11097 weight  0.10000E+01 volume -0.10000E+00 ppm1      7.184 ppm2      4.384
 ASSI {11098}
     (segid "    " and resid "36  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HB1 ")
      5.000     5.000     0.000 peak 11098 weight  0.10000E+01 volume -0.36500E+00 ppm1      7.197 ppm2      3.194
 ASSI {11099}
     (segid "    " and resid "36  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HB2 ")
      6.000     6.000     0.000 peak 11099 weight  0.10000E+01 volume -0.21900E+00 ppm1      7.189 ppm2      2.889
 ASSI {11100}
     (segid "    " and resid "36  " and name "HE1 ")
     (segid "    " and resid "38  " and name "HB1 ")
      6.000     6.000     0.000 peak 11100 weight  0.10000E+01 volume -0.14100E+00 ppm1      7.789 ppm2      3.216
 ASSI {11101}
     (segid "    " and resid "36  " and name "HE1 ")
     (segid "    " and resid "38  " and name "HB2 ")
      6.000     6.000     0.000 peak 11101 weight  0.10000E+01 volume -0.24700E+00 ppm1      7.793 ppm2      2.589
 ASSI {11102}
     (segid "    " and resid "37  " and name "HA  ")
     (segid "    " and resid "37  " and name "HB1 ")
      5.000     5.000     0.000 peak 11102 weight  0.10000E+01 volume -0.12090E+01 ppm1      4.102 ppm2      1.967
 ASSI {11103}
     (segid "    " and resid "37  " and name "HA  ")
     (segid "    " and resid "37  " and name "HB2 ")
      5.000     5.000     0.000 peak 11103 weight  0.10000E+01 volume -0.11210E+01 ppm1      4.102 ppm2      1.691
 ASSI {11104}
     (segid "    " and resid "37  " and name "HA  ")
     (segid "    " and resid "37  " and name "HG2 ")
      5.000     5.000     0.000 peak 11104 weight  0.10000E+01 volume -0.44400E+00 ppm1      4.096 ppm2      1.386
 ASSI {11107}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HB1 ")
      6.000     6.000     0.000 peak 11107 weight  0.10000E+01 volume  0.14400E+00 ppm1      2.556 ppm2      1.948
 ASSI {11108}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HD1 ")
      5.000     5.000     0.000 peak 11108 weight  0.10000E+01 volume  0.91000E+00 ppm1      2.543 ppm2      3.277
 ASSI {11110}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HG1 ")
      5.000     5.000     0.000 peak 11110 weight  0.10000E+01 volume  0.57200E+00 ppm1      3.285 ppm2      1.689
 ASSI {11111}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HG1 ")
      5.000     5.000     0.000 peak 11111 weight  0.10000E+01 volume  0.46100E+00 ppm1      2.545 ppm2      1.699
 ASSI {11113}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HG2 ")
      5.000     5.000     0.000 peak 11113 weight  0.10000E+01 volume  0.31500E+00 ppm1      2.537 ppm2      1.388
 ASSI {11114}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HD1 ")
      5.000     5.000     0.000 peak 11114 weight  0.10000E+01 volume -0.57700E+00 ppm1      1.387 ppm2      3.280
 ASSI {11117}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "38  " and name "HB1 ")
      5.000     5.000     0.000 peak 11117 weight  0.10000E+01 volume  0.57900E+00 ppm1      5.151 ppm2      3.224
 ASSI {11118}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "38  " and name "HB2 ")
      5.000     5.000     0.000 peak 11118 weight  0.10000E+01 volume  0.42700E+00 ppm1      5.152 ppm2      2.589
 ASSI {11120}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB  ")
      5.000     5.000     0.000 peak 11120 weight  0.10000E+01 volume  0.88300E+00 ppm1      5.158 ppm2      4.942
 ASSI {11121}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG23")
      5.000     5.000     0.000 peak 11121 weight  0.10000E+01 volume  0.13200E+01 ppm1      5.165 ppm2      1.197
 OR {11121}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG21")
 OR {11121}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG22")
 ASSI {11126}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HB1 ")
      5.000     5.000     0.000 peak 11126 weight  0.10000E+01 volume  0.14440E+01 ppm1      2.600 ppm2      3.215
 ASSI {11128}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "46  " and name "HG22")
      5.000     5.000     0.000 peak 11128 weight  0.10000E+01 volume  0.30900E+00 ppm1      3.223 ppm2      1.197
 OR {11128}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "46  " and name "HG21")
 OR {11128}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "46  " and name "HG23")
 ASSI {11130}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "39  " and name "HB1 ")
      2.700     2.700     0.000 peak 11130 weight  0.10000E+01 volume  0.43160E+01 ppm1      4.046 ppm2      1.400
 OR {11130}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "39  " and name "HB2 ")
 OR {11130}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "39  " and name "HB3 ")
 ASSI {11132}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HB1 ")
      5.000     5.000     0.000 peak 11132 weight  0.10000E+01 volume  0.11820E+01 ppm1      4.368 ppm2      1.773
 ASSI {11133}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HB2 ")
      5.000     5.000     0.000 peak 11133 weight  0.10000E+01 volume  0.11010E+01 ppm1      4.366 ppm2      1.266
 ASSI {11134}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HD13")
      5.000     5.000     0.000 peak 11134 weight  0.10000E+01 volume  0.77300E+00 ppm1      4.369 ppm2      0.898
 OR {11134}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HD11")
 OR {11134}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HD12")
 ASSI {11135}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HD23")
      3.300     3.300     0.000 peak 11135 weight  0.10000E+01 volume  0.21540E+01 ppm1      4.368 ppm2      0.664
 OR {11135}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HD22")
 OR {11135}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HD21")
 ASSI {11138}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HB1 ")
      5.000     5.000     0.000 peak 11138 weight  0.10000E+01 volume  0.16760E+01 ppm1      1.272 ppm2      1.779
 ASSI {11140}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HD12")
      5.000     5.000     0.000 peak 11140 weight  0.10000E+01 volume  0.14890E+01 ppm1      1.780 ppm2      0.895
 OR {11140}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HD11")
 OR {11140}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HD13")
 ASSI {11141}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HD11")
      5.000     5.000     0.000 peak 11141 weight  0.10000E+01 volume  0.10380E+01 ppm1      1.262 ppm2      0.893
 OR {11141}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HD12")
 OR {11141}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HD13")
 ASSI {11142}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HD21")
      5.000     5.000     0.000 peak 11142 weight  0.10000E+01 volume  0.11290E+01 ppm1      1.785 ppm2      0.669
 OR {11142}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HD22")
 OR {11142}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HD23")
 ASSI {11143}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HD23")
      5.000     5.000     0.000 peak 11143 weight  0.10000E+01 volume  0.10450E+01 ppm1      1.275 ppm2      0.668
 OR {11143}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HD22")
 OR {11143}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HD21")
 ASSI {11145}
     (segid "    " and resid "40  " and name "HD11")
     (segid "    " and resid "40  " and name "HD21")
      2.700     2.700     0.000 peak 11145 weight  0.10000E+01 volume -0.91600E+01 ppm1      0.898 ppm2      0.666
 OR {11145}
     (segid "    " and resid "40  " and name "HD13")
     (segid "    " and resid "40  " and name "HD22")
 OR {11145}
     (segid "    " and resid "40  " and name "HD11")
     (segid "    " and resid "40  " and name "HD22")
 OR {11145}
     (segid "    " and resid "40  " and name "HD13")
     (segid "    " and resid "40  " and name "HD23")
 OR {11145}
     (segid "    " and resid "40  " and name "HD11")
     (segid "    " and resid "40  " and name "HD23")
 OR {11145}
     (segid "    " and resid "40  " and name "HD13")
     (segid "    " and resid "40  " and name "HD21")
 OR {11145}
     (segid "    " and resid "40  " and name "HD12")
     (segid "    " and resid "40  " and name "HD21")
 OR {11145}
     (segid "    " and resid "40  " and name "HD12")
     (segid "    " and resid "40  " and name "HD23")
 OR {11145}
     (segid "    " and resid "40  " and name "HD12")
     (segid "    " and resid "40  " and name "HD22")
 ASSI {11146}
     (segid "    " and resid "40  " and name "HD13")
     (segid "    " and resid "40  " and name "HG  ")
      2.700     2.700     0.000 peak 11146 weight  0.10000E+01 volume -0.85120E+01 ppm1      0.899 ppm2      1.780
 OR {11146}
     (segid "    " and resid "40  " and name "HD12")
     (segid "    " and resid "40  " and name "HG  ")
 OR {11146}
     (segid "    " and resid "40  " and name "HD11")
     (segid "    " and resid "40  " and name "HG  ")
 ASSI {11149}
     (segid "    " and resid "40  " and name "HD22")
     (segid "    " and resid "40  " and name "HG  ")
      2.700     2.700     0.000 peak 11149 weight  0.10000E+01 volume -0.53150E+01 ppm1      0.659 ppm2      1.780
 OR {11149}
     (segid "    " and resid "40  " and name "HD23")
     (segid "    " and resid "40  " and name "HG  ")
 OR {11149}
     (segid "    " and resid "40  " and name "HD21")
     (segid "    " and resid "40  " and name "HG  ")
 ASSI {11151}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "41  " and name "HB1 ")
      5.000     5.000     0.000 peak 11151 weight  0.10000E+01 volume  0.11110E+01 ppm1      4.542 ppm2      3.855
 ASSI {11152}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "41  " and name "HB2 ")
      5.000     5.000     0.000 peak 11152 weight  0.10000E+01 volume  0.87300E+00 ppm1      4.544 ppm2      2.817
 ASSI {11155}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HB1 ")
      5.000     5.000     0.000 peak 11155 weight  0.10000E+01 volume  0.72800E+00 ppm1      2.817 ppm2      3.868
 ASSI {11157}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HB2 ")
      3.300     3.300     0.000 peak 11157 weight  0.10000E+01 volume  0.28570E+01 ppm1      4.157 ppm2      1.737
 ASSI {11158}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HD1 ")
      5.000     5.000     0.000 peak 11158 weight  0.10000E+01 volume  0.52000E+00 ppm1      4.155 ppm2      2.935
 OR {11158}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HD2 ")
 ASSI {11160}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HD2 ")
      5.000     5.000     0.000 peak 11160 weight  0.10000E+01 volume -0.64300E+00 ppm1      1.967 ppm2      2.927
 OR {11160}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HD1 ")
 ASSI {11161}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HG2 ")
      6.000     6.000     0.000 peak 11161 weight  0.10000E+01 volume -0.27700E+00 ppm1      1.967 ppm2      0.259
 ASSI {11162}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HG2 ")
      5.000     5.000     0.000 peak 11162 weight  0.10000E+01 volume -0.37200E+00 ppm1      1.745 ppm2      0.275
 ASSI {11165}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HB2 ")
      5.000     5.000     0.000 peak 11165 weight  0.10000E+01 volume  0.14370E+01 ppm1      2.937 ppm2      1.737
 OR {11165}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HB2 ")
 ASSI {11166}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HG1 ")
      5.000     5.000     0.000 peak 11166 weight  0.10000E+01 volume  0.15340E+01 ppm1      2.936 ppm2      1.277
 OR {11166}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HG1 ")
 ASSI {11167}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HG2 ")
      5.000     5.000     0.000 peak 11167 weight  0.10000E+01 volume  0.14000E+01 ppm1      2.933 ppm2      0.262
 OR {11167}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HG2 ")
 ASSI {11168}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HA  ")
      6.000     6.000     0.000 peak 11168 weight  0.10000E+01 volume -0.25700E+00 ppm1      1.266 ppm2      4.165
 ASSI {11169}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HB1 ")
      5.000     5.000     0.000 peak 11169 weight  0.10000E+01 volume -0.48000E+00 ppm1      1.273 ppm2      1.967
 ASSI {11171}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HB2 ")
      5.000     5.000     0.000 peak 11171 weight  0.10000E+01 volume -0.58500E+00 ppm1      1.276 ppm2      1.737
 ASSI {11174}
     (segid "    " and resid "42  " and name "HG2 ")
     (segid "    " and resid "42  " and name "HG1 ")
      5.000     5.000     0.000 peak 11174 weight  0.10000E+01 volume -0.98800E+00 ppm1      0.269 ppm2      1.283
 ASSI {11176}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HB1 ")
      5.000     5.000     0.000 peak 11176 weight  0.10000E+01 volume  0.98200E+00 ppm1      4.849 ppm2      3.549
 ASSI {11177}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HB2 ")
      5.000     5.000     0.000 peak 11177 weight  0.10000E+01 volume  0.70400E+00 ppm1      4.846 ppm2      2.799
 ASSI {11178}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD2 ")
      5.000     5.000     0.000 peak 11178 weight  0.10000E+01 volume  0.77500E+00 ppm1      4.847 ppm2      7.213
 OR {11178}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD1 ")
 ASSI {11181}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HB1 ")
      5.000     5.000     0.000 peak 11181 weight  0.10000E+01 volume  0.83000E+00 ppm1      2.803 ppm2      3.545
 ASSI {11183}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD2 ")
      6.000     6.000     0.000 peak 11183 weight  0.10000E+01 volume  0.17500E+00 ppm1      3.547 ppm2      7.213
 OR {11183}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD1 ")
 ASSI {11184}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD1 ")
      5.000     5.000     0.000 peak 11184 weight  0.10000E+01 volume  0.48600E+00 ppm1      2.798 ppm2      7.203
 OR {11184}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD2 ")
 ASSI {11188}
     (segid "    " and resid "44  " and name "HA2 ")
     (segid "    " and resid "44  " and name "HA1 ")
      3.300     3.300     0.000 peak 11188 weight  0.10000E+01 volume  0.22860E+01 ppm1      3.730 ppm2      4.205
 ASSI {11190}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak 11190 weight  0.10000E+01 volume  0.66500E+00 ppm1      4.845 ppm2      1.897
 ASSI {11191}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HB2 ")
      5.000     5.000     0.000 peak 11191 weight  0.10000E+01 volume  0.12230E+01 ppm1      4.831 ppm2      1.525
 ASSI {11192}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HG1 ")
      5.000     5.000     0.000 peak 11192 weight  0.10000E+01 volume  0.12610E+01 ppm1      4.830 ppm2      1.356
 OR {11192}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HG2 ")
 ASSI {11194}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak 11194 weight  0.10000E+01 volume  0.33300E+00 ppm1      1.514 ppm2      1.917
 ASSI {11196}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak 11196 weight  0.10000E+01 volume -0.22500E+00 ppm1      1.575 ppm2      4.838
 ASSI {11197}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak 11197 weight  0.10000E+01 volume -0.21600E+00 ppm1      1.481 ppm2      4.830
 ASSI {11198}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "45  " and name "HE2 ")
      5.000     5.000     0.000 peak 11198 weight  0.10000E+01 volume -0.11320E+01 ppm1      1.585 ppm2      2.958
 OR {11198}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "45  " and name "HE1 ")
 ASSI {11199}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "45  " and name "HE1 ")
      5.000     5.000     0.000 peak 11199 weight  0.10000E+01 volume -0.11060E+01 ppm1      1.486 ppm2      2.954
 OR {11199}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "45  " and name "HE2 ")
 ASSI {11200}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak 11200 weight  0.10000E+01 volume  0.24400E+00 ppm1      2.953 ppm2      4.848
 OR {11200}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "45  " and name "HA  ")
 ASSI {11201}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "73  " and name "HB1 ")
      5.000     5.000     0.000 peak 11201 weight  0.10000E+01 volume  0.71200E+00 ppm1      2.953 ppm2      3.533
 OR {11201}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "73  " and name "HB1 ")
 ASSI {11202}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "73  " and name "HB2 ")
      5.000     5.000     0.000 peak 11202 weight  0.10000E+01 volume  0.64700E+00 ppm1      2.953 ppm2      2.660
 OR {11202}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "73  " and name "HB2 ")
 ASSI {11204}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "45  " and name "HE1 ")
      5.000     5.000     0.000 peak 11204 weight  0.10000E+01 volume -0.61000E+00 ppm1      1.379 ppm2      2.954
 OR {11204}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "45  " and name "HE2 ")
 OR {11204}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "45  " and name "HE2 ")
 OR {11204}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "45  " and name "HE1 ")
 ASSI {11205}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak 11205 weight  0.10000E+01 volume  0.33300E+00 ppm1      4.771 ppm2      5.142
 ASSI {11206}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "40  " and name "HA  ")
      5.000     5.000     0.000 peak 11206 weight  0.10000E+01 volume  0.62900E+00 ppm1      4.771 ppm2      4.363
 ASSI {11207}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB  ")
      5.000     5.000     0.000 peak 11207 weight  0.10000E+01 volume  0.17200E+01 ppm1      4.771 ppm2      4.930
 ASSI {11208}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG23")
      3.300     3.300     0.000 peak 11208 weight  0.10000E+01 volume  0.20230E+01 ppm1      4.768 ppm2      1.198
 OR {11208}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG22")
 OR {11208}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG21")
 ASSI {11211}
     (segid "    " and resid "46  " and name "HB  ")
     (segid "    " and resid "46  " and name "HG21")
      3.300     3.300     0.000 peak 11211 weight  0.10000E+01 volume -0.21290E+01 ppm1      4.929 ppm2      1.193
 OR {11211}
     (segid "    " and resid "46  " and name "HB  ")
     (segid "    " and resid "46  " and name "HG22")
 OR {11211}
     (segid "    " and resid "46  " and name "HB  ")
     (segid "    " and resid "46  " and name "HG23")
 ASSI {11214}
     (segid "    " and resid "46  " and name "HG22")
     (segid "    " and resid "38  " and name "HB2 ")
      5.000     5.000     0.000 peak 11214 weight  0.10000E+01 volume -0.64800E+00 ppm1      1.193 ppm2      2.596
 OR {11214}
     (segid "    " and resid "46  " and name "HG23")
     (segid "    " and resid "38  " and name "HB2 ")
 OR {11214}
     (segid "    " and resid "46  " and name "HG21")
     (segid "    " and resid "38  " and name "HB2 ")
 ASSI {11217}
     (segid "    " and resid "47  " and name "HA  ")
     (segid "    " and resid "47  " and name "HB3 ")
      3.300     3.300     0.000 peak 11217 weight  0.10000E+01 volume  0.28590E+01 ppm1      4.014 ppm2      1.250
 OR {11217}
     (segid "    " and resid "47  " and name "HA  ")
     (segid "    " and resid "47  " and name "HB2 ")
 OR {11217}
     (segid "    " and resid "47  " and name "HA  ")
     (segid "    " and resid "47  " and name "HB1 ")
 ASSI {11219}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "48  " and name "HB1 ")
      5.000     5.000     0.000 peak 11219 weight  0.10000E+01 volume  0.88600E+00 ppm1      3.784 ppm2      1.562
 ASSI {11220}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "48  " and name "HB2 ")
      5.000     5.000     0.000 peak 11220 weight  0.10000E+01 volume  0.10920E+01 ppm1      3.783 ppm2      1.403
 ASSI {11221}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "48  " and name "HD12")
      3.300     3.300     0.000 peak 11221 weight  0.10000E+01 volume  0.23000E+01 ppm1      3.780 ppm2      0.802
 OR {11221}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "48  " and name "HD21")
 OR {11221}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "48  " and name "HD23")
 OR {11221}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "48  " and name "HD22")
 OR {11221}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "48  " and name "HD13")
 OR {11221}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "48  " and name "HD11")
 ASSI {11222}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "48  " and name "HG  ")
      5.000     5.000     0.000 peak 11222 weight  0.10000E+01 volume  0.90800E+00 ppm1      3.781 ppm2      1.727
 ASSI {11225}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HB1 ")
      5.000     5.000     0.000 peak 11225 weight  0.10000E+01 volume  0.19090E+01 ppm1      1.390 ppm2      1.565
 ASSI {11227}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HD12")
      5.000     5.000     0.000 peak 11227 weight  0.10000E+01 volume  0.18860E+01 ppm1      1.569 ppm2      0.815
 OR {11227}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HD13")
 OR {11227}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HD22")
 OR {11227}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HD11")
 OR {11227}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HD23")
 OR {11227}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HD21")
 ASSI {11228}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HD13")
      5.000     5.000     0.000 peak 11228 weight  0.10000E+01 volume  0.15470E+01 ppm1      1.402 ppm2      0.816
 OR {11228}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HD12")
 OR {11228}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HD22")
 OR {11228}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HD23")
 OR {11228}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HD21")
 OR {11228}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HD11")
 ASSI {11230}
     (segid "    " and resid "48  " and name "HD12")
     (segid "    " and resid "48  " and name "HA  ")
      5.000     5.000     0.000 peak 11230 weight  0.10000E+01 volume -0.88700E+00 ppm1      0.819 ppm2      3.781
 OR {11230}
     (segid "    " and resid "48  " and name "HD13")
     (segid "    " and resid "48  " and name "HA  ")
 OR {11230}
     (segid "    " and resid "48  " and name "HD11")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI {11231}
     (segid "    " and resid "48  " and name "HD12")
     (segid "    " and resid "48  " and name "HB1 ")
      5.000     5.000     0.000 peak 11231 weight  0.10000E+01 volume -0.19730E+01 ppm1      0.819 ppm2      1.566
 OR {11231}
     (segid "    " and resid "48  " and name "HD13")
     (segid "    " and resid "48  " and name "HB1 ")
 OR {11231}
     (segid "    " and resid "48  " and name "HD11")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI {11232}
     (segid "    " and resid "48  " and name "HD13")
     (segid "    " and resid "48  " and name "HB2 ")
      5.000     5.000     0.000 peak 11232 weight  0.10000E+01 volume -0.17770E+01 ppm1      0.819 ppm2      1.406
 OR {11232}
     (segid "    " and resid "48  " and name "HD12")
     (segid "    " and resid "48  " and name "HB2 ")
 OR {11232}
     (segid "    " and resid "48  " and name "HD11")
     (segid "    " and resid "48  " and name "HB2 ")
 ASSI {11233}
     (segid "    " and resid "48  " and name "HD13")
     (segid "    " and resid "48  " and name "HG  ")
      3.300     3.300     0.000 peak 11233 weight  0.10000E+01 volume -0.28620E+01 ppm1      0.818 ppm2      1.748
 OR {11233}
     (segid "    " and resid "48  " and name "HD11")
     (segid "    " and resid "48  " and name "HG  ")
 OR {11233}
     (segid "    " and resid "48  " and name "HD12")
     (segid "    " and resid "48  " and name "HG  ")
 ASSI {11234}
     (segid "    " and resid "48  " and name "HD13")
     (segid "    " and resid "69  " and name "HA  ")
      5.000     5.000     0.000 peak 11234 weight  0.10000E+01 volume -0.16080E+01 ppm1      0.819 ppm2      4.407
 OR {11234}
     (segid "    " and resid "48  " and name "HD12")
     (segid "    " and resid "69  " and name "HA  ")
 OR {11234}
     (segid "    " and resid "48  " and name "HD11")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI {11235}
     (segid "    " and resid "48  " and name "HD21")
     (segid "    " and resid "48  " and name "HA  ")
      3.300     3.300     0.000 peak 11235 weight  0.10000E+01 volume -0.27730E+01 ppm1      0.793 ppm2      3.783
 OR {11235}
     (segid "    " and resid "48  " and name "HD23")
     (segid "    " and resid "48  " and name "HA  ")
 OR {11235}
     (segid "    " and resid "48  " and name "HD22")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI {11236}
     (segid "    " and resid "48  " and name "HD22")
     (segid "    " and resid "48  " and name "HB1 ")
      3.300     3.300     0.000 peak 11236 weight  0.10000E+01 volume -0.26930E+01 ppm1      0.792 ppm2      1.566
 OR {11236}
     (segid "    " and resid "48  " and name "HD23")
     (segid "    " and resid "48  " and name "HB1 ")
 OR {11236}
     (segid "    " and resid "48  " and name "HD21")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI {11237}
     (segid "    " and resid "48  " and name "HD22")
     (segid "    " and resid "48  " and name "HG  ")
      2.700     2.700     0.000 peak 11237 weight  0.10000E+01 volume -0.42290E+01 ppm1      0.791 ppm2      1.748
 OR {11237}
     (segid "    " and resid "48  " and name "HD23")
     (segid "    " and resid "48  " and name "HG  ")
 OR {11237}
     (segid "    " and resid "48  " and name "HD21")
     (segid "    " and resid "48  " and name "HG  ")
 ASSI {11238}
     (segid "    " and resid "48  " and name "HD22")
     (segid "    " and resid "69  " and name "HA  ")
      5.000     5.000     0.000 peak 11238 weight  0.10000E+01 volume -0.46500E+00 ppm1      0.796 ppm2      4.405
 OR {11238}
     (segid "    " and resid "48  " and name "HD23")
     (segid "    " and resid "69  " and name "HA  ")
 OR {11238}
     (segid "    " and resid "48  " and name "HD21")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI {11239}
     (segid "    " and resid "48  " and name "HG  ")
     (segid "    " and resid "48  " and name "HB2 ")
      3.300     3.300     0.000 peak 11239 weight  0.10000E+01 volume -0.20040E+01 ppm1      1.753 ppm2      1.406
 ASSI {11240}
     (segid "    " and resid "48  " and name "HG  ")
     (segid "    " and resid "48  " and name "HD13")
      2.700     2.700     0.000 peak 11240 weight  0.10000E+01 volume -0.50530E+01 ppm1      1.753 ppm2      0.819
 OR {11240}
     (segid "    " and resid "48  " and name "HG  ")
     (segid "    " and resid "48  " and name "HD22")
 OR {11240}
     (segid "    " and resid "48  " and name "HG  ")
     (segid "    " and resid "48  " and name "HD23")
 OR {11240}
     (segid "    " and resid "48  " and name "HG  ")
     (segid "    " and resid "48  " and name "HD11")
 OR {11240}
     (segid "    " and resid "48  " and name "HG  ")
     (segid "    " and resid "48  " and name "HD21")
 OR {11240}
     (segid "    " and resid "48  " and name "HG  ")
     (segid "    " and resid "48  " and name "HD12")
 ASSI {11241}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "49  " and name "HA  ")
      6.000     6.000     0.000 peak 11241 weight  0.10000E+01 volume  0.20400E+00 ppm1      2.706 ppm2      4.197
 ASSI {11242}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "49  " and name "HG2 ")
      5.000     5.000     0.000 peak 11242 weight  0.10000E+01 volume  0.65300E+00 ppm1      2.715 ppm2      2.221
 ASSI {11243}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HB  ")
      3.300     3.300     0.000 peak 11243 weight  0.10000E+01 volume -0.22790E+01 ppm1      4.654 ppm2      2.511
 ASSI {11244}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HG12")
      3.300     3.300     0.000 peak 11244 weight  0.10000E+01 volume -0.28440E+01 ppm1      4.652 ppm2      0.849
 OR {11244}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HG13")
 OR {11244}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HG11")
 ASSI {11245}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HG23")
      5.000     5.000     0.000 peak 11245 weight  0.10000E+01 volume -0.19940E+01 ppm1      4.652 ppm2      0.917
 OR {11245}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HG22")
 OR {11245}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HG21")
 ASSI {11247}
     (segid "    " and resid "50  " and name "HB  ")
     (segid "    " and resid "50  " and name "HG12")
      3.300     3.300     0.000 peak 11247 weight  0.10000E+01 volume -0.33530E+01 ppm1      2.516 ppm2      0.849
 OR {11247}
     (segid "    " and resid "50  " and name "HB  ")
     (segid "    " and resid "50  " and name "HG13")
 OR {11247}
     (segid "    " and resid "50  " and name "HB  ")
     (segid "    " and resid "50  " and name "HG11")
 ASSI {11248}
     (segid "    " and resid "50  " and name "HB  ")
     (segid "    " and resid "50  " and name "HG22")
      3.300     3.300     0.000 peak 11248 weight  0.10000E+01 volume -0.33200E+01 ppm1      2.514 ppm2      0.921
 OR {11248}
     (segid "    " and resid "50  " and name "HB  ")
     (segid "    " and resid "50  " and name "HG23")
 OR {11248}
     (segid "    " and resid "50  " and name "HB  ")
     (segid "    " and resid "50  " and name "HG21")
 ASSI {11249}
     (segid "    " and resid "50  " and name "HG13")
     (segid "    " and resid "45  " and name "HE2 ")
      5.000     5.000     0.000 peak 11249 weight  0.10000E+01 volume -0.67500E+00 ppm1      0.859 ppm2      2.954
 OR {11249}
     (segid "    " and resid "50  " and name "HG12")
     (segid "    " and resid "45  " and name "HE2 ")
 OR {11249}
     (segid "    " and resid "50  " and name "HG13")
     (segid "    " and resid "45  " and name "HE1 ")
 OR {11249}
     (segid "    " and resid "50  " and name "HG12")
     (segid "    " and resid "45  " and name "HE1 ")
 OR {11249}
     (segid "    " and resid "50  " and name "HG11")
     (segid "    " and resid "45  " and name "HE2 ")
 OR {11249}
     (segid "    " and resid "50  " and name "HG11")
     (segid "    " and resid "45  " and name "HE1 ")
 ASSI {11254}
     (segid "    " and resid "50  " and name "HG23")
     (segid "    " and resid "51  " and name "HA  ")
      6.000     6.000     0.000 peak 11254 weight  0.10000E+01 volume -0.26100E+00 ppm1      0.926 ppm2      3.434
 OR {11254}
     (segid "    " and resid "50  " and name "HG22")
     (segid "    " and resid "51  " and name "HA  ")
 OR {11254}
     (segid "    " and resid "50  " and name "HG21")
     (segid "    " and resid "51  " and name "HA  ")
 ASSI {11259}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "51  " and name "HB1 ")
      5.000     5.000     0.000 peak 11259 weight  0.10000E+01 volume  0.68000E+00 ppm1      3.444 ppm2      1.964
 ASSI {11260}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "51  " and name "HB2 ")
      5.000     5.000     0.000 peak 11260 weight  0.10000E+01 volume  0.98500E+00 ppm1      3.441 ppm2      1.443
 ASSI {11261}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "51  " and name "HG1 ")
      6.000     6.000     0.000 peak 11261 weight  0.10000E+01 volume  0.26800E+00 ppm1      3.438 ppm2      2.324
 ASSI {11262}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "51  " and name "HG2 ")
      5.000     5.000     0.000 peak 11262 weight  0.10000E+01 volume  0.38800E+00 ppm1      3.440 ppm2      1.193
 ASSI {11265}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HB1 ")
      5.000     5.000     0.000 peak 11265 weight  0.10000E+01 volume  0.58600E+00 ppm1      1.450 ppm2      1.948
 ASSI {11267}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HG1 ")
      5.000     5.000     0.000 peak 11267 weight  0.10000E+01 volume  0.41800E+00 ppm1      1.443 ppm2      2.332
 ASSI {11268}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HG2 ")
      5.000     5.000     0.000 peak 11268 weight  0.10000E+01 volume  0.48600E+00 ppm1      1.967 ppm2      1.169
 ASSI {11269}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HG2 ")
      5.000     5.000     0.000 peak 11269 weight  0.10000E+01 volume  0.53800E+00 ppm1      1.443 ppm2      1.176
 ASSI {11270}
     (segid "    " and resid "51  " and name "HE2 ")
     (segid "    " and resid "53  " and name "HA  ")
      5.000     5.000     0.000 peak 11270 weight  0.10000E+01 volume -0.10920E+01 ppm1      1.688 ppm2      3.912
 OR {11270}
     (segid "    " and resid "51  " and name "HE1 ")
     (segid "    " and resid "53  " and name "HA  ")
 OR {11270}
     (segid "    " and resid "51  " and name "HE3 ")
     (segid "    " and resid "53  " and name "HA  ")
 ASSI {11272}
     (segid "    " and resid "51  " and name "HG1 ")
     (segid "    " and resid "51  " and name "HE3 ")
      5.000     5.000     0.000 peak 11272 weight  0.10000E+01 volume -0.77400E+00 ppm1      2.333 ppm2      1.691
 OR {11272}
     (segid "    " and resid "51  " and name "HG1 ")
     (segid "    " and resid "51  " and name "HE2 ")
 OR {11272}
     (segid "    " and resid "51  " and name "HG1 ")
     (segid "    " and resid "51  " and name "HE1 ")
 ASSI {11273}
     (segid "    " and resid "51  " and name "HG2 ")
     (segid "    " and resid "51  " and name "HE3 ")
      5.000     5.000     0.000 peak 11273 weight  0.10000E+01 volume -0.61100E+00 ppm1      1.182 ppm2      1.690
 OR {11273}
     (segid "    " and resid "51  " and name "HG2 ")
     (segid "    " and resid "51  " and name "HE2 ")
 OR {11273}
     (segid "    " and resid "51  " and name "HG2 ")
     (segid "    " and resid "51  " and name "HE1 ")
 ASSI {11274}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "52  " and name "HB2 ")
      5.000     5.000     0.000 peak 11274 weight  0.10000E+01 volume  0.19440E+01 ppm1      4.251 ppm2      1.860
 ASSI {11275}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "52  " and name "HG2 ")
      5.000     5.000     0.000 peak 11275 weight  0.10000E+01 volume  0.11990E+01 ppm1      4.245 ppm2      2.555
 OR {11275}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "52  " and name "HG1 ")
 ASSI {11276}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HA  ")
      5.000     5.000     0.000 peak 11276 weight  0.10000E+01 volume -0.19010E+01 ppm1      2.127 ppm2      4.235
 ASSI {11277}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HB2 ")
      3.300     3.300     0.000 peak 11277 weight  0.10000E+01 volume -0.36660E+01 ppm1      2.127 ppm2      1.860
 ASSI {11279}
     (segid "    " and resid "53  " and name "HA  ")
     (segid "    " and resid "53  " and name "HB1 ")
      5.000     5.000     0.000 peak 11279 weight  0.10000E+01 volume -0.84500E+00 ppm1      3.907 ppm2      2.838
 ASSI {11280}
     (segid "    " and resid "53  " and name "HA  ")
     (segid "    " and resid "53  " and name "HB2 ")
      5.000     5.000     0.000 peak 11280 weight  0.10000E+01 volume -0.96100E+00 ppm1      3.907 ppm2      2.730
 ASSI {11281}
     (segid "    " and resid "53  " and name "HA  ")
     (segid "    " and resid "53  " and name "HD2 ")
      5.000     5.000     0.000 peak 11281 weight  0.10000E+01 volume -0.55700E+00 ppm1      3.913 ppm2      7.198
 OR {11281}
     (segid "    " and resid "53  " and name "HA  ")
     (segid "    " and resid "53  " and name "HD1 ")
 ASSI {11284}
     (segid "    " and resid "53  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD2 ")
      5.000     5.000     0.000 peak 11284 weight  0.10000E+01 volume  0.49700E+00 ppm1      2.833 ppm2      7.204
 OR {11284}
     (segid "    " and resid "53  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD1 ")
 ASSI {11285}
     (segid "    " and resid "53  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD2 ")
      5.000     5.000     0.000 peak 11285 weight  0.10000E+01 volume  0.37700E+00 ppm1      2.735 ppm2      7.200
 OR {11285}
     (segid "    " and resid "53  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD1 ")
 ASSI {11289}
     (segid "    " and resid "53  " and name "HD1 ")
     (segid "    " and resid "95  " and name "HD13")
      6.000     6.000     0.000 peak 11289 weight  0.10000E+01 volume -0.17600E+00 ppm1      7.197 ppm2      0.766
 OR {11289}
     (segid "    " and resid "53  " and name "HD2 ")
     (segid "    " and resid "95  " and name "HD12")
 OR {11289}
     (segid "    " and resid "53  " and name "HD2 ")
     (segid "    " and resid "95  " and name "HD11")
 OR {11289}
     (segid "    " and resid "53  " and name "HD2 ")
     (segid "    " and resid "95  " and name "HD13")
 OR {11289}
     (segid "    " and resid "53  " and name "HD1 ")
     (segid "    " and resid "95  " and name "HD11")
 OR {11289}
     (segid "    " and resid "53  " and name "HD1 ")
     (segid "    " and resid "95  " and name "HD12")
 ASSI {11290}
     (segid "    " and resid "53  " and name "HD1 ")
     (segid "    " and resid "96  " and name "HB  ")
      6.000     6.000     0.000 peak 11290 weight  0.10000E+01 volume -0.20900E+00 ppm1      7.201 ppm2      2.333
 OR {11290}
     (segid "    " and resid "53  " and name "HD2 ")
     (segid "    " and resid "96  " and name "HB  ")
 ASSI {11291}
     (segid "    " and resid "53  " and name "HD1 ")
     (segid "    " and resid "96  " and name "HG12")
      5.000     5.000     0.000 peak 11291 weight  0.10000E+01 volume -0.11440E+01 ppm1      7.197 ppm2      1.139
 OR {11291}
     (segid "    " and resid "53  " and name "HD1 ")
     (segid "    " and resid "96  " and name "HG11")
 OR {11291}
     (segid "    " and resid "53  " and name "HD1 ")
     (segid "    " and resid "96  " and name "HG13")
 OR {11291}
     (segid "    " and resid "53  " and name "HD2 ")
     (segid "    " and resid "96  " and name "HG13")
 OR {11291}
     (segid "    " and resid "53  " and name "HD2 ")
     (segid "    " and resid "96  " and name "HG12")
 OR {11291}
     (segid "    " and resid "53  " and name "HD2 ")
     (segid "    " and resid "96  " and name "HG11")
 OR {11291}
     (segid "    " and resid "53  " and name "HD1 ")
     (segid "    " and resid "96  " and name "HG22")
 OR {11291}
     (segid "    " and resid "53  " and name "HD2 ")
     (segid "    " and resid "96  " and name "HG21")
 OR {11291}
     (segid "    " and resid "53  " and name "HD2 ")
     (segid "    " and resid "96  " and name "HG22")
 OR {11291}
     (segid "    " and resid "53  " and name "HD1 ")
     (segid "    " and resid "96  " and name "HG21")
 OR {11291}
     (segid "    " and resid "53  " and name "HD1 ")
     (segid "    " and resid "96  " and name "HG23")
 OR {11291}
     (segid "    " and resid "53  " and name "HD2 ")
     (segid "    " and resid "96  " and name "HG23")
 ASSI {11292}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "55  " and name "HB1 ")
      3.300     3.300     0.000 peak 11292 weight  0.10000E+01 volume  0.20750E+01 ppm1      5.057 ppm2      3.999
 ASSI {11293}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "55  " and name "HB2 ")
      5.000     5.000     0.000 peak 11293 weight  0.10000E+01 volume  0.72500E+00 ppm1      5.055 ppm2      3.681
 ASSI {11294}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD2 ")
      5.000     5.000     0.000 peak 11294 weight  0.10000E+01 volume  0.92000E+00 ppm1      5.057 ppm2      3.360
 ASSI {11295}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "56  " and name "HG1 ")
      5.000     5.000     0.000 peak 11295 weight  0.10000E+01 volume  0.10160E+01 ppm1      5.052 ppm2      2.047
 OR {11295}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "56  " and name "HG2 ")
 ASSI {11298}
     (segid "    " and resid "55  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HB1 ")
      2.700     2.700     0.000 peak 11298 weight  0.10000E+01 volume -0.54700E+01 ppm1      3.689 ppm2      3.985
 ASSI {11300}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "55  " and name "HA  ")
      6.000     6.000     0.000 peak 11300 weight  0.10000E+01 volume -0.13400E+00 ppm1      4.315 ppm2      5.055
 ASSI {11301}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD2 ")
      6.000     6.000     0.000 peak 11301 weight  0.10000E+01 volume -0.21800E+00 ppm1      4.302 ppm2      3.369
 ASSI {11302}
     (segid "    " and resid "56  " and name "HD1 ")
     (segid "    " and resid "55  " and name "HA  ")
      5.000     5.000     0.000 peak 11302 weight  0.10000E+01 volume  0.11970E+01 ppm1      4.013 ppm2      5.057
 ASSI {11304}
     (segid "    " and resid "56  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HA  ")
      5.000     5.000     0.000 peak 11304 weight  0.10000E+01 volume  0.31300E+00 ppm1      4.018 ppm2      4.285
 ASSI {11306}
     (segid "    " and resid "56  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD1 ")
      5.000     5.000     0.000 peak 11306 weight  0.10000E+01 volume  0.14000E+01 ppm1      3.362 ppm2      4.000
 ASSI {11308}
     (segid "    " and resid "56  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HG1 ")
      5.000     5.000     0.000 peak 11308 weight  0.10000E+01 volume  0.17780E+01 ppm1      4.015 ppm2      2.048
 OR {11308}
     (segid "    " and resid "56  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HG2 ")
 ASSI {11309}
     (segid "    " and resid "56  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HG2 ")
      5.000     5.000     0.000 peak 11309 weight  0.10000E+01 volume  0.10540E+01 ppm1      3.360 ppm2      2.044
 OR {11309}
     (segid "    " and resid "56  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HG1 ")
 ASSI {11313}
     (segid "    " and resid "56  " and name "HG1 ")
     (segid "    " and resid "90  " and name "HB1 ")
      5.000     5.000     0.000 peak 11313 weight  0.10000E+01 volume -0.77900E+00 ppm1      2.047 ppm2      2.757
 OR {11313}
     (segid "    " and resid "56  " and name "HG2 ")
     (segid "    " and resid "90  " and name "HB1 ")
 ASSI {11314}
     (segid "    " and resid "56  " and name "HG1 ")
     (segid "    " and resid "90  " and name "HB2 ")
      5.000     5.000     0.000 peak 11314 weight  0.10000E+01 volume -0.86500E+00 ppm1      2.047 ppm2      2.580
 OR {11314}
     (segid "    " and resid "56  " and name "HG2 ")
     (segid "    " and resid "90  " and name "HB2 ")
 ASSI {11315}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "58  " and name "HB  ")
      5.000     5.000     0.000 peak 11315 weight  0.10000E+01 volume -0.50200E+00 ppm1      3.421 ppm2      2.329
 ASSI {11317}
     (segid "    " and resid "58  " and name "HG22")
     (segid "    " and resid "58  " and name "HA  ")
      3.300     3.300     0.000 peak 11317 weight  0.10000E+01 volume -0.27170E+01 ppm1      0.952 ppm2      3.425
 OR {11317}
     (segid "    " and resid "58  " and name "HG21")
     (segid "    " and resid "58  " and name "HA  ")
 OR {11317}
     (segid "    " and resid "58  " and name "HG23")
     (segid "    " and resid "58  " and name "HA  ")
 ASSI {11318}
     (segid "    " and resid "58  " and name "HG21")
     (segid "    " and resid "58  " and name "HB  ")
      2.700     2.700     0.000 peak 11318 weight  0.10000E+01 volume -0.58120E+01 ppm1      0.955 ppm2      2.324
 OR {11318}
     (segid "    " and resid "58  " and name "HG22")
     (segid "    " and resid "58  " and name "HB  ")
 OR {11318}
     (segid "    " and resid "58  " and name "HG23")
     (segid "    " and resid "58  " and name "HB  ")
 ASSI {11319}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HB1 ")
      5.000     5.000     0.000 peak 11319 weight  0.10000E+01 volume  0.99600E+00 ppm1      3.632 ppm2      1.801
 ASSI {11320}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HB2 ")
      5.000     5.000     0.000 peak 11320 weight  0.10000E+01 volume  0.14290E+01 ppm1      3.629 ppm2      1.609
 ASSI {11321}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HD21")
      3.300     3.300     0.000 peak 11321 weight  0.10000E+01 volume  0.37900E+01 ppm1      3.628 ppm2      0.963
 OR {11321}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HD23")
 OR {11321}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HD11")
 OR {11321}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HD13")
 OR {11321}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HD22")
 OR {11321}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HD12")
 ASSI {11324}
     (segid "    " and resid "60  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HD13")
      2.700     2.700     0.000 peak 11324 weight  0.10000E+01 volume  0.41190E+01 ppm1      1.798 ppm2      0.960
 OR {11324}
     (segid "    " and resid "60  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HD23")
 OR {11324}
     (segid "    " and resid "60  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HD22")
 OR {11324}
     (segid "    " and resid "60  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HD11")
 OR {11324}
     (segid "    " and resid "60  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HD21")
 OR {11324}
     (segid "    " and resid "60  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HD12")
 ASSI {11325}
     (segid "    " and resid "60  " and name "HD21")
     (segid "    " and resid "60  " and name "HA  ")
      3.300     3.300     0.000 peak 11325 weight  0.10000E+01 volume -0.32720E+01 ppm1      0.959 ppm2      3.629
 OR {11325}
     (segid "    " and resid "60  " and name "HD23")
     (segid "    " and resid "60  " and name "HA  ")
 OR {11325}
     (segid "    " and resid "60  " and name "HD22")
     (segid "    " and resid "60  " and name "HA  ")
 ASSI {11326}
     (segid "    " and resid "60  " and name "HD21")
     (segid "    " and resid "60  " and name "HG  ")
      2.700     2.700     0.000 peak 11326 weight  0.10000E+01 volume -0.70860E+01 ppm1      0.952 ppm2      1.513
 OR {11326}
     (segid "    " and resid "60  " and name "HD23")
     (segid "    " and resid "60  " and name "HG  ")
 OR {11326}
     (segid "    " and resid "60  " and name "HD22")
     (segid "    " and resid "60  " and name "HG  ")
 ASSI {11327}
     (segid "    " and resid "60  " and name "HG  ")
     (segid "    " and resid "60  " and name "HA  ")
      5.000     5.000     0.000 peak 11327 weight  0.10000E+01 volume -0.73100E+00 ppm1      1.526 ppm2      3.637
 ASSI {11328}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HG1 ")
      5.000     5.000     0.000 peak 11328 weight  0.10000E+01 volume  0.12330E+01 ppm1      3.881 ppm2      2.442
 ASSI {11329}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "64  " and name "HE1 ")
      6.000     6.000     0.000 peak 11329 weight  0.10000E+01 volume  0.19300E+00 ppm1      3.881 ppm2      3.002
 OR {11329}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "64  " and name "HE2 ")
 ASSI {11331}
     (segid "    " and resid "61  " and name "HG2 ")
     (segid "    " and resid "61  " and name "HA  ")
      6.000     6.000     0.000 peak 11331 weight  0.10000E+01 volume  0.24100E+00 ppm1      2.094 ppm2      3.866
 ASSI {11332}
     (segid "    " and resid "62  " and name "HA  ")
     (segid "    " and resid "62  " and name "HB1 ")
      5.000     5.000     0.000 peak 11332 weight  0.10000E+01 volume  0.13900E+01 ppm1      3.783 ppm2      1.836
 ASSI {11333}
     (segid "    " and resid "62  " and name "HA  ")
     (segid "    " and resid "62  " and name "HG  ")
      5.000     5.000     0.000 peak 11333 weight  0.10000E+01 volume  0.14600E+01 ppm1      3.776 ppm2      1.723
 ASSI {11334}
     (segid "    " and resid "62  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HD11")
      5.000     5.000     0.000 peak 11334 weight  0.10000E+01 volume  0.77700E+00 ppm1      1.854 ppm2      0.693
 OR {11334}
     (segid "    " and resid "62  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HD13")
 OR {11334}
     (segid "    " and resid "62  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HD12")
 ASSI {11336}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "63  " and name "HG  ")
      5.000     5.000     0.000 peak 11336 weight  0.10000E+01 volume  0.16760E+01 ppm1      3.898 ppm2      1.604
 ASSI {11337}
     (segid "    " and resid "63  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HA  ")
      5.000     5.000     0.000 peak 11337 weight  0.10000E+01 volume  0.32600E+00 ppm1      1.217 ppm2      3.899
 ASSI {11338}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HA  ")
      5.000     5.000     0.000 peak 11338 weight  0.10000E+01 volume  0.31600E+00 ppm1      0.862 ppm2      3.909
 ASSI {11339}
     (segid "    " and resid "63  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HB2 ")
      5.000     5.000     0.000 peak 11339 weight  0.10000E+01 volume  0.10740E+01 ppm1      1.216 ppm2      0.843
 ASSI {11340}
     (segid "    " and resid "63  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HG  ")
      6.000     6.000     0.000 peak 11340 weight  0.10000E+01 volume  0.28400E+00 ppm1      1.230 ppm2      1.601
 ASSI {11341}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HG  ")
      6.000     6.000     0.000 peak 11341 weight  0.10000E+01 volume  0.89000E-01 ppm1      0.856 ppm2      1.588
 ASSI {11342}
     (segid "    " and resid "63  " and name "HD13")
     (segid "    " and resid "63  " and name "HA  ")
      5.000     5.000     0.000 peak 11342 weight  0.10000E+01 volume -0.14800E+01 ppm1      0.659 ppm2      3.915
 OR {11342}
     (segid "    " and resid "63  " and name "HD11")
     (segid "    " and resid "63  " and name "HA  ")
 OR {11342}
     (segid "    " and resid "63  " and name "HD12")
     (segid "    " and resid "63  " and name "HA  ")
 ASSI {11343}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "64  " and name "HE2 ")
      6.000     6.000     0.000 peak 11343 weight  0.10000E+01 volume -0.14400E+00 ppm1      4.102 ppm2      3.007
 OR {11343}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "64  " and name "HE1 ")
 ASSI {11344}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "64  " and name "HA  ")
      3.300     3.300     0.000 peak 11344 weight  0.10000E+01 volume -0.23840E+01 ppm1      1.990 ppm2      4.111
 ASSI {11345}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HA  ")
      3.300     3.300     0.000 peak 11345 weight  0.10000E+01 volume -0.27540E+01 ppm1      1.902 ppm2      4.111
 ASSI {11346}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "64  " and name "HE1 ")
      5.000     5.000     0.000 peak 11346 weight  0.10000E+01 volume -0.37100E+00 ppm1      1.992 ppm2      2.995
 OR {11346}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "64  " and name "HE2 ")
 ASSI {11347}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HE1 ")
      5.000     5.000     0.000 peak 11347 weight  0.10000E+01 volume -0.30400E+00 ppm1      1.886 ppm2      2.981
 OR {11347}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HE2 ")
 ASSI {11352}
     (segid "    " and resid "64  " and name "HE2 ")
     (segid "    " and resid "64  " and name "HD1 ")
      3.300     3.300     0.000 peak 11352 weight  0.10000E+01 volume  0.31930E+01 ppm1      2.990 ppm2      1.701
 OR {11352}
     (segid "    " and resid "64  " and name "HE1 ")
     (segid "    " and resid "64  " and name "HD2 ")
 OR {11352}
     (segid "    " and resid "64  " and name "HE2 ")
     (segid "    " and resid "64  " and name "HD2 ")
 OR {11352}
     (segid "    " and resid "64  " and name "HE1 ")
     (segid "    " and resid "64  " and name "HD1 ")
 ASSI {11353}
     (segid "    " and resid "64  " and name "HE1 ")
     (segid "    " and resid "64  " and name "HG2 ")
      3.300     3.300     0.000 peak 11353 weight  0.10000E+01 volume  0.22890E+01 ppm1      2.989 ppm2      1.619
 OR {11353}
     (segid "    " and resid "64  " and name "HE2 ")
     (segid "    " and resid "64  " and name "HG1 ")
 OR {11353}
     (segid "    " and resid "64  " and name "HE2 ")
     (segid "    " and resid "64  " and name "HG2 ")
 OR {11353}
     (segid "    " and resid "64  " and name "HE1 ")
     (segid "    " and resid "64  " and name "HG1 ")
 ASSI {11354}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "64  " and name "HB1 ")
      3.300     3.300     0.000 peak 11354 weight  0.10000E+01 volume -0.29180E+01 ppm1      1.640 ppm2      2.000
 OR {11354}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "64  " and name "HB1 ")
 ASSI {11355}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "64  " and name "HB2 ")
      3.300     3.300     0.000 peak 11355 weight  0.10000E+01 volume -0.35000E+01 ppm1      1.637 ppm2      1.893
 OR {11355}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "64  " and name "HB2 ")
 ASSI {11357}
     (segid "    " and resid "65  " and name "HA  ")
     (segid "    " and resid "65  " and name "HB1 ")
      5.000     5.000     0.000 peak 11357 weight  0.10000E+01 volume  0.12140E+01 ppm1      4.518 ppm2      2.176
 ASSI {11358}
     (segid "    " and resid "65  " and name "HA  ")
     (segid "    " and resid "65  " and name "HB2 ")
      5.000     5.000     0.000 peak 11358 weight  0.10000E+01 volume  0.13530E+01 ppm1      4.509 ppm2      2.032
 ASSI {11359}
     (segid "    " and resid "65  " and name "HA  ")
     (segid "    " and resid "65  " and name "HG1 ")
      5.000     5.000     0.000 peak 11359 weight  0.10000E+01 volume  0.42900E+00 ppm1      4.510 ppm2      2.576
 ASSI {11360}
     (segid "    " and resid "65  " and name "HA  ")
     (segid "    " and resid "65  " and name "HG2 ")
      5.000     5.000     0.000 peak 11360 weight  0.10000E+01 volume  0.54100E+00 ppm1      4.504 ppm2      2.449
 ASSI {11363}
     (segid "    " and resid "65  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HB2 ")
      5.000     5.000     0.000 peak 11363 weight  0.10000E+01 volume  0.39000E+00 ppm1      2.578 ppm2      1.004
 ASSI {11364}
     (segid "    " and resid "65  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HB2 ")
      5.000     5.000     0.000 peak 11364 weight  0.10000E+01 volume  0.46400E+00 ppm1      2.443 ppm2      1.008
 ASSI {11365}
     (segid "    " and resid "65  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HD13")
      5.000     5.000     0.000 peak 11365 weight  0.10000E+01 volume  0.44300E+00 ppm1      2.580 ppm2      0.668
 OR {11365}
     (segid "    " and resid "65  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HD11")
 OR {11365}
     (segid "    " and resid "65  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HD12")
 ASSI {11366}
     (segid "    " and resid "65  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HD12")
      5.000     5.000     0.000 peak 11366 weight  0.10000E+01 volume  0.49800E+00 ppm1      2.450 ppm2      0.665
 OR {11366}
     (segid "    " and resid "65  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HD13")
 OR {11366}
     (segid "    " and resid "65  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HD11")
 ASSI {11367}
     (segid "    " and resid "65  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HD21")
      5.000     5.000     0.000 peak 11367 weight  0.10000E+01 volume  0.53300E+00 ppm1      2.578 ppm2      0.771
 OR {11367}
     (segid "    " and resid "65  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HD23")
 OR {11367}
     (segid "    " and resid "65  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HD22")
 ASSI {11368}
     (segid "    " and resid "65  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HD21")
      5.000     5.000     0.000 peak 11368 weight  0.10000E+01 volume  0.59400E+00 ppm1      2.450 ppm2      0.767
 OR {11368}
     (segid "    " and resid "65  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HD23")
 OR {11368}
     (segid "    " and resid "65  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HD22")
 ASSI {11371}
     (segid "    " and resid "65  " and name "HG1 ")
     (segid "    " and resid "65  " and name "HB2 ")
      5.000     5.000     0.000 peak 11371 weight  0.10000E+01 volume  0.10790E+01 ppm1      2.582 ppm2      2.029
 ASSI {11372}
     (segid "    " and resid "66  " and name "HA2 ")
     (segid "    " and resid "66  " and name "HA1 ")
      5.000     5.000     0.000 peak 11372 weight  0.10000E+01 volume  0.16920E+01 ppm1      3.776 ppm2      4.391
 ASSI {11374}
     (segid "    " and resid "67  " and name "HA  ")
     (segid "    " and resid "67  " and name "HB3 ")
      3.300     3.300     0.000 peak 11374 weight  0.10000E+01 volume  0.28240E+01 ppm1      4.020 ppm2      1.129
 OR {11374}
     (segid "    " and resid "67  " and name "HA  ")
     (segid "    " and resid "67  " and name "HB1 ")
 OR {11374}
     (segid "    " and resid "67  " and name "HA  ")
     (segid "    " and resid "67  " and name "HB2 ")
 ASSI {11375}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "68  " and name "HB1 ")
      5.000     5.000     0.000 peak 11375 weight  0.10000E+01 volume  0.17500E+01 ppm1      4.767 ppm2      3.951
 OR {11375}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI {11376}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD2 ")
      3.300     3.300     0.000 peak 11376 weight  0.10000E+01 volume  0.27360E+01 ppm1      4.767 ppm2      4.099
 OR {11376}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD1 ")
 ASSI {11378}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HB2 ")
      5.000     5.000     0.000 peak 11378 weight  0.10000E+01 volume -0.89800E+00 ppm1      4.410 ppm2      1.703
 ASSI {11380}
     (segid "    " and resid "69  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak 11380 weight  0.10000E+01 volume  0.21900E+00 ppm1      4.094 ppm2      4.413
 OR {11380}
     (segid "    " and resid "69  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI {11381}
     (segid "    " and resid "69  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HB1 ")
      5.000     5.000     0.000 peak 11381 weight  0.10000E+01 volume  0.78700E+00 ppm1      4.094 ppm2      1.929
 OR {11381}
     (segid "    " and resid "69  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HB1 ")
 ASSI {11382}
     (segid "    " and resid "69  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HB2 ")
      5.000     5.000     0.000 peak 11382 weight  0.10000E+01 volume  0.34100E+00 ppm1      4.095 ppm2      1.708
 OR {11382}
     (segid "    " and resid "69  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI {11383}
     (segid "    " and resid "69  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HG1 ")
      5.000     5.000     0.000 peak 11383 weight  0.10000E+01 volume  0.97800E+00 ppm1      4.101 ppm2      2.123
 OR {11383}
     (segid "    " and resid "69  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HG1 ")
 ASSI {11384}
     (segid "    " and resid "69  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HG2 ")
      5.000     5.000     0.000 peak 11384 weight  0.10000E+01 volume  0.77300E+00 ppm1      4.103 ppm2      1.835
 OR {11384}
     (segid "    " and resid "69  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HG2 ")
 ASSI {11385}
     (segid "    " and resid "69  " and name "HG1 ")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak 11385 weight  0.10000E+01 volume -0.27100E+00 ppm1      2.127 ppm2      4.404
 ASSI {11386}
     (segid "    " and resid "69  " and name "HG2 ")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak 11386 weight  0.10000E+01 volume -0.23300E+00 ppm1      1.836 ppm2      4.408
 ASSI {11387}
     (segid "    " and resid "69  " and name "HG1 ")
     (segid "    " and resid "69  " and name "HB2 ")
      5.000     5.000     0.000 peak 11387 weight  0.10000E+01 volume -0.79700E+00 ppm1      2.123 ppm2      1.706
 ASSI {11390}
     (segid "    " and resid "69  " and name "HG2 ")
     (segid "    " and resid "69  " and name "HG1 ")
      5.000     5.000     0.000 peak 11390 weight  0.10000E+01 volume -0.13800E+01 ppm1      1.833 ppm2      2.127
 ASSI {11392}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HB1 ")
      5.000     5.000     0.000 peak 11392 weight  0.10000E+01 volume  0.67200E+00 ppm1      5.143 ppm2      3.006
 ASSI {11393}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HB2 ")
      5.000     5.000     0.000 peak 11393 weight  0.10000E+01 volume  0.56600E+00 ppm1      5.147 ppm2      2.796
 ASSI {11396}
     (segid "    " and resid "70  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HB1 ")
      5.000     5.000     0.000 peak 11396 weight  0.10000E+01 volume  0.16620E+01 ppm1      2.794 ppm2      3.007
 ASSI {11398}
     (segid "    " and resid "71  " and name "HA  ")
     (segid "    " and resid "71  " and name "HB  ")
      3.300     3.300     0.000 peak 11398 weight  0.10000E+01 volume -0.28140E+01 ppm1      4.335 ppm2      2.054
 ASSI {11399}
     (segid "    " and resid "71  " and name "HA  ")
     (segid "    " and resid "71  " and name "HG12")
      3.300     3.300     0.000 peak 11399 weight  0.10000E+01 volume -0.31290E+01 ppm1      4.337 ppm2      0.928
 OR {11399}
     (segid "    " and resid "71  " and name "HA  ")
     (segid "    " and resid "71  " and name "HG11")
 OR {11399}
     (segid "    " and resid "71  " and name "HA  ")
     (segid "    " and resid "71  " and name "HG13")
 ASSI {11400}
     (segid "    " and resid "71  " and name "HA  ")
     (segid "    " and resid "71  " and name "HG22")
      3.300     3.300     0.000 peak 11400 weight  0.10000E+01 volume -0.22040E+01 ppm1      4.335 ppm2      0.847
 OR {11400}
     (segid "    " and resid "71  " and name "HA  ")
     (segid "    " and resid "71  " and name "HG21")
 OR {11400}
     (segid "    " and resid "71  " and name "HA  ")
     (segid "    " and resid "71  " and name "HG23")
 ASSI {11403}
     (segid "    " and resid "71  " and name "HB  ")
     (segid "    " and resid "71  " and name "HG21")
      3.300     3.300     0.000 peak 11403 weight  0.10000E+01 volume  0.31160E+01 ppm1      2.051 ppm2      0.846
 OR {11403}
     (segid "    " and resid "71  " and name "HB  ")
     (segid "    " and resid "71  " and name "HG23")
 OR {11403}
     (segid "    " and resid "71  " and name "HB  ")
     (segid "    " and resid "71  " and name "HG22")
 ASSI {11404}
     (segid "    " and resid "71  " and name "HG12")
     (segid "    " and resid "70  " and name "HA  ")
      6.000     6.000     0.000 peak 11404 weight  0.10000E+01 volume -0.11900E+00 ppm1      0.926 ppm2      5.142
 OR {11404}
     (segid "    " and resid "71  " and name "HG13")
     (segid "    " and resid "70  " and name "HA  ")
 OR {11404}
     (segid "    " and resid "71  " and name "HG11")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI {11406}
     (segid "    " and resid "71  " and name "HG12")
     (segid "    " and resid "71  " and name "HB  ")
      2.700     2.700     0.000 peak 11406 weight  0.10000E+01 volume -0.56130E+01 ppm1      0.926 ppm2      2.047
 OR {11406}
     (segid "    " and resid "71  " and name "HG13")
     (segid "    " and resid "71  " and name "HB  ")
 OR {11406}
     (segid "    " and resid "71  " and name "HG11")
     (segid "    " and resid "71  " and name "HB  ")
 ASSI {11407}
     (segid "    " and resid "71  " and name "HG13")
     (segid "    " and resid "72  " and name "HA  ")
      6.000     6.000     0.000 peak 11407 weight  0.10000E+01 volume -0.17800E+00 ppm1      0.923 ppm2      4.994
 OR {11407}
     (segid "    " and resid "71  " and name "HG12")
     (segid "    " and resid "72  " and name "HA  ")
 OR {11407}
     (segid "    " and resid "71  " and name "HG11")
     (segid "    " and resid "72  " and name "HA  ")
 ASSI {11408}
     (segid "    " and resid "71  " and name "HG12")
     (segid "    " and resid "78  " and name "HA  ")
      6.000     6.000     0.000 peak 11408 weight  0.10000E+01 volume  0.21000E-01 ppm1      0.930 ppm2      5.862
 OR {11408}
     (segid "    " and resid "71  " and name "HG13")
     (segid "    " and resid "78  " and name "HA  ")
 OR {11408}
     (segid "    " and resid "71  " and name "HG11")
     (segid "    " and resid "78  " and name "HA  ")
 ASSI {11409}
     (segid "    " and resid "71  " and name "HG23")
     (segid "    " and resid "70  " and name "HA  ")
      6.000     6.000     0.000 peak 11409 weight  0.10000E+01 volume -0.86000E-01 ppm1      0.846 ppm2      5.142
 OR {11409}
     (segid "    " and resid "71  " and name "HG22")
     (segid "    " and resid "70  " and name "HA  ")
 OR {11409}
     (segid "    " and resid "71  " and name "HG21")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI {11412}
     (segid "    " and resid "71  " and name "HG21")
     (segid "    " and resid "72  " and name "HA  ")
      6.000     6.000     0.000 peak 11412 weight  0.10000E+01 volume -0.15400E+00 ppm1      0.846 ppm2      4.990
 OR {11412}
     (segid "    " and resid "71  " and name "HG22")
     (segid "    " and resid "72  " and name "HA  ")
 OR {11412}
     (segid "    " and resid "71  " and name "HG23")
     (segid "    " and resid "72  " and name "HA  ")
 ASSI {11413}
     (segid "    " and resid "71  " and name "HG23")
     (segid "    " and resid "78  " and name "HA  ")
      6.000     6.000     0.000 peak 11413 weight  0.10000E+01 volume -0.25300E+00 ppm1      0.846 ppm2      5.854
 OR {11413}
     (segid "    " and resid "71  " and name "HG22")
     (segid "    " and resid "78  " and name "HA  ")
 OR {11413}
     (segid "    " and resid "71  " and name "HG21")
     (segid "    " and resid "78  " and name "HA  ")
 ASSI {11414}
     (segid "    " and resid "71  " and name "HG23")
     (segid "    " and resid "78  " and name "HB1 ")
      5.000     5.000     0.000 peak 11414 weight  0.10000E+01 volume -0.42900E+00 ppm1      0.849 ppm2      4.441
 OR {11414}
     (segid "    " and resid "71  " and name "HG22")
     (segid "    " and resid "78  " and name "HB1 ")
 OR {11414}
     (segid "    " and resid "71  " and name "HG21")
     (segid "    " and resid "78  " and name "HB1 ")
 ASSI {11416}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HB1 ")
      5.000     5.000     0.000 peak 11416 weight  0.10000E+01 volume  0.11320E+01 ppm1      5.000 ppm2      1.976
 ASSI {11417}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HB2 ")
      5.000     5.000     0.000 peak 11417 weight  0.10000E+01 volume  0.76400E+00 ppm1      4.998 ppm2      1.834
 ASSI {11418}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HG1 ")
      5.000     5.000     0.000 peak 11418 weight  0.10000E+01 volume  0.12370E+01 ppm1      5.003 ppm2      2.249
 OR {11418}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HG2 ")
 ASSI {11419}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "78  " and name "HA  ")
      5.000     5.000     0.000 peak 11419 weight  0.10000E+01 volume  0.54900E+00 ppm1      4.998 ppm2      5.861
 ASSI {11422}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HB1 ")
      3.300     3.300     0.000 peak 11422 weight  0.10000E+01 volume  0.37590E+01 ppm1      1.830 ppm2      1.971
 ASSI {11423}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HG2 ")
      3.300     3.300     0.000 peak 11423 weight  0.10000E+01 volume  0.22440E+01 ppm1      1.968 ppm2      2.244
 OR {11423}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HG1 ")
 ASSI {11424}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HG1 ")
      5.000     5.000     0.000 peak 11424 weight  0.10000E+01 volume  0.15240E+01 ppm1      1.827 ppm2      2.244
 OR {11424}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HG2 ")
 ASSI {11426}
     (segid "    " and resid "72  " and name "HG2 ")
     (segid "    " and resid "78  " and name "HA  ")
      6.000     6.000     0.000 peak 11426 weight  0.10000E+01 volume  0.16100E+00 ppm1      2.246 ppm2      5.856
 OR {11426}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "78  " and name "HA  ")
 ASSI {11427}
     (segid "    " and resid "72  " and name "HG2 ")
     (segid "    " and resid "78  " and name "HB1 ")
      5.000     5.000     0.000 peak 11427 weight  0.10000E+01 volume  0.99400E+00 ppm1      2.247 ppm2      4.475
 OR {11427}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "78  " and name "HB1 ")
 ASSI {11428}
     (segid "    " and resid "72  " and name "HG2 ")
     (segid "    " and resid "78  " and name "HB2 ")
      5.000     5.000     0.000 peak 11428 weight  0.10000E+01 volume  0.80600E+00 ppm1      2.244 ppm2      4.299
 OR {11428}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "78  " and name "HB2 ")
 ASSI {11429}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HB1 ")
      5.000     5.000     0.000 peak 11429 weight  0.10000E+01 volume  0.12180E+01 ppm1      4.913 ppm2      3.514
 ASSI {11430}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HB2 ")
      5.000     5.000     0.000 peak 11430 weight  0.10000E+01 volume  0.11440E+01 ppm1      4.921 ppm2      2.658
 ASSI {11433}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HB1 ")
      5.000     5.000     0.000 peak 11433 weight  0.10000E+01 volume  0.10960E+01 ppm1      2.653 ppm2      3.525
 ASSI {11435}
     (segid "    " and resid "75  " and name "HA  ")
     (segid "    " and resid "75  " and name "HB1 ")
      3.300     3.300     0.000 peak 11435 weight  0.10000E+01 volume  0.28650E+01 ppm1      4.661 ppm2      4.097
 ASSI {11436}
     (segid "    " and resid "75  " and name "HA  ")
     (segid "    " and resid "75  " and name "HB2 ")
      3.300     3.300     0.000 peak 11436 weight  0.10000E+01 volume  0.32230E+01 ppm1      4.661 ppm2      4.017
 ASSI {11439}
     (segid "    " and resid "76  " and name "HA2 ")
     (segid "    " and resid "76  " and name "HA1 ")
      3.300     3.300     0.000 peak 11439 weight  0.10000E+01 volume  0.20190E+01 ppm1      3.780 ppm2      4.224
 ASSI {11441}
     (segid "    " and resid "77  " and name "HA  ")
     (segid "    " and resid "77  " and name "HB  ")
      5.000     5.000     0.000 peak 11441 weight  0.10000E+01 volume -0.82000E+00 ppm1      3.778 ppm2      4.250
 ASSI {11445}
     (segid "    " and resid "77  " and name "HG23")
     (segid "    " and resid "77  " and name "HA  ")
      2.700     2.700     0.000 peak 11445 weight  0.10000E+01 volume -0.46680E+01 ppm1      1.246 ppm2      3.781
 OR {11445}
     (segid "    " and resid "77  " and name "HG21")
     (segid "    " and resid "77  " and name "HA  ")
 OR {11445}
     (segid "    " and resid "77  " and name "HG22")
     (segid "    " and resid "77  " and name "HA  ")
 ASSI {11446}
     (segid "    " and resid "77  " and name "HG22")
     (segid "    " and resid "77  " and name "HB  ")
      2.700     2.700     0.000 peak 11446 weight  0.10000E+01 volume -0.48250E+01 ppm1      1.246 ppm2      4.235
 OR {11446}
     (segid "    " and resid "77  " and name "HG21")
     (segid "    " and resid "77  " and name "HB  ")
 OR {11446}
     (segid "    " and resid "77  " and name "HG23")
     (segid "    " and resid "77  " and name "HB  ")
 ASSI {11449}
     (segid "    " and resid "78  " and name "HA  ")
     (segid "    " and resid "78  " and name "HB2 ")
      5.000     5.000     0.000 peak 11449 weight  0.10000E+01 volume  0.12030E+01 ppm1      5.862 ppm2      4.297
 ASSI {11450}
     (segid "    " and resid "78  " and name "HB1 ")
     (segid "    " and resid "78  " and name "HA  ")
      5.000     5.000     0.000 peak 11450 weight  0.10000E+01 volume -0.51700E+00 ppm1      4.448 ppm2      5.863
 ASSI {11453}
     (segid "    " and resid "78  " and name "HB1 ")
     (segid "    " and resid "78  " and name "HB2 ")
      3.300     3.300     0.000 peak 11453 weight  0.10000E+01 volume -0.28630E+01 ppm1      4.448 ppm2      4.288
 ASSI {11454}
     (segid "    " and resid "79  " and name "HA  ")
     (segid "    " and resid "79  " and name "HB1 ")
      5.000     5.000     0.000 peak 11454 weight  0.10000E+01 volume -0.86700E+00 ppm1      4.742 ppm2      2.447
 ASSI {11455}
     (segid "    " and resid "79  " and name "HA  ")
     (segid "    " and resid "79  " and name "HB2 ")
      5.000     5.000     0.000 peak 11455 weight  0.10000E+01 volume -0.13910E+01 ppm1      4.742 ppm2      1.967
 ASSI {11458}
     (segid "    " and resid "79  " and name "HB2 ")
     (segid "    " and resid "79  " and name "HB1 ")
      5.000     5.000     0.000 peak 11458 weight  0.10000E+01 volume -0.15440E+01 ppm1      1.967 ppm2      2.447
 ASSI {11460}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "80  " and name "HB  ")
      5.000     5.000     0.000 peak 11460 weight  0.10000E+01 volume -0.14450E+01 ppm1      3.684 ppm2      1.913
 ASSI {11462}
     (segid "    " and resid "80  " and name "HG23")
     (segid "    " and resid "80  " and name "HA  ")
      3.300     3.300     0.000 peak 11462 weight  0.10000E+01 volume -0.31420E+01 ppm1      0.830 ppm2      3.685
 OR {11462}
     (segid "    " and resid "80  " and name "HG22")
     (segid "    " and resid "80  " and name "HA  ")
 OR {11462}
     (segid "    " and resid "80  " and name "HG21")
     (segid "    " and resid "80  " and name "HA  ")
 ASSI {11463}
     (segid "    " and resid "80  " and name "HG21")
     (segid "    " and resid "80  " and name "HB  ")
      2.700     2.700     0.000 peak 11463 weight  0.10000E+01 volume -0.50770E+01 ppm1      0.828 ppm2      1.914
 OR {11463}
     (segid "    " and resid "80  " and name "HG23")
     (segid "    " and resid "80  " and name "HB  ")
 OR {11463}
     (segid "    " and resid "80  " and name "HG22")
     (segid "    " and resid "80  " and name "HB  ")
 ASSI {11464}
     (segid "    " and resid "81  " and name "HA  ")
     (segid "    " and resid "81  " and name "HB2 ")
      5.000     5.000     0.000 peak 11464 weight  0.10000E+01 volume -0.82200E+00 ppm1      3.888 ppm2      3.271
 ASSI {11465}
     (segid "    " and resid "81  " and name "HA  ")
     (segid "    " and resid "81  " and name "HD2 ")
      6.000     6.000     0.000 peak 11465 weight  0.10000E+01 volume -0.29900E+00 ppm1      3.893 ppm2      6.514
 ASSI {11466}
     (segid "    " and resid "81  " and name "HB2 ")
     (segid "    " and resid "81  " and name "HB1 ")
      5.000     5.000     0.000 peak 11466 weight  0.10000E+01 volume -0.74900E+00 ppm1      3.274 ppm2      3.771
 ASSI {11468}
     (segid "    " and resid "81  " and name "HB1 ")
     (segid "    " and resid "81  " and name "HD2 ")
      6.000     6.000     0.000 peak 11468 weight  0.10000E+01 volume -0.16900E+00 ppm1      3.768 ppm2      6.516
 ASSI {11473}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "115 " and name "HD12")
      5.000     5.000     0.000 peak 11473 weight  0.10000E+01 volume -0.12120E+01 ppm1      6.530 ppm2      1.225
 OR {11473}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "115 " and name "HD13")
 OR {11473}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "115 " and name "HD11")
 ASSI {11474}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "115 " and name "HD21")
      6.000     6.000     0.000 peak 11474 weight  0.10000E+01 volume -0.97000E-01 ppm1      6.530 ppm2      0.969
 OR {11474}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "115 " and name "HD22")
 OR {11474}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "115 " and name "HD23")
 ASSI {11475}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "115 " and name "HG  ")
      6.000     6.000     0.000 peak 11475 weight  0.10000E+01 volume -0.89000E-01 ppm1      6.529 ppm2      2.029
 ASSI {11476}
     (segid "    " and resid "81  " and name "HE1 ")
     (segid "    " and resid "104 " and name "HB1 ")
      5.000     5.000     0.000 peak 11476 weight  0.10000E+01 volume -0.15840E+01 ppm1      7.454 ppm2      1.326
 OR {11476}
     (segid "    " and resid "81  " and name "HE1 ")
     (segid "    " and resid "104 " and name "HB3 ")
 OR {11476}
     (segid "    " and resid "81  " and name "HE1 ")
     (segid "    " and resid "104 " and name "HB2 ")
 ASSI {11477}
     (segid "    " and resid "82  " and name "HA  ")
     (segid "    " and resid "82  " and name "HB1 ")
      5.000     5.000     0.000 peak 11477 weight  0.10000E+01 volume  0.11280E+01 ppm1      4.448 ppm2      2.297
 ASSI {11478}
     (segid "    " and resid "82  " and name "HA  ")
     (segid "    " and resid "82  " and name "HB2 ")
      5.000     5.000     0.000 peak 11478 weight  0.10000E+01 volume  0.18080E+01 ppm1      4.445 ppm2      1.951
 ASSI {11481}
     (segid "    " and resid "82  " and name "HB2 ")
     (segid "    " and resid "82  " and name "HB1 ")
      5.000     5.000     0.000 peak 11481 weight  0.10000E+01 volume  0.15780E+01 ppm1      1.956 ppm2      2.289
 ASSI {11483}
     (segid "    " and resid "84  " and name "HA  ")
     (segid "    " and resid "84  " and name "HB2 ")
      2.700     2.700     0.000 peak 11483 weight  0.10000E+01 volume  0.48570E+01 ppm1      4.001 ppm2      1.453
 OR {11483}
     (segid "    " and resid "84  " and name "HA  ")
     (segid "    " and resid "84  " and name "HB3 ")
 OR {11483}
     (segid "    " and resid "84  " and name "HA  ")
     (segid "    " and resid "84  " and name "HB1 ")
 ASSI {11485}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "85  " and name "HB1 ")
      5.000     5.000     0.000 peak 11485 weight  0.10000E+01 volume  0.18080E+01 ppm1      3.752 ppm2      2.054
 OR {11485}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "85  " and name "HB2 ")
 ASSI {11487}
     (segid "    " and resid "86  " and name "HA  ")
     (segid "    " and resid "86  " and name "HG22")
      3.300     3.300     0.000 peak 11487 weight  0.10000E+01 volume -0.29430E+01 ppm1      4.332 ppm2      1.331
 OR {11487}
     (segid "    " and resid "86  " and name "HA  ")
     (segid "    " and resid "86  " and name "HG21")
 OR {11487}
     (segid "    " and resid "86  " and name "HA  ")
     (segid "    " and resid "86  " and name "HG23")
 ASSI {11488}
     (segid "    " and resid "86  " and name "HB  ")
     (segid "    " and resid "86  " and name "HG23")
      3.300     3.300     0.000 peak 11488 weight  0.10000E+01 volume -0.22410E+01 ppm1      4.368 ppm2      1.334
 OR {11488}
     (segid "    " and resid "86  " and name "HB  ")
     (segid "    " and resid "86  " and name "HG21")
 OR {11488}
     (segid "    " and resid "86  " and name "HB  ")
     (segid "    " and resid "86  " and name "HG22")
 ASSI {11489}
     (segid "    " and resid "87  " and name "HA2 ")
     (segid "    " and resid "87  " and name "HA1 ")
      5.000     5.000     0.000 peak 11489 weight  0.10000E+01 volume  0.17700E+01 ppm1      2.570 ppm2      2.765
 ASSI {11491}
     (segid "    " and resid "88  " and name "HA  ")
     (segid "    " and resid "88  " and name "HB1 ")
      5.000     5.000     0.000 peak 11491 weight  0.10000E+01 volume  0.90300E+00 ppm1      4.658 ppm2      3.445
 ASSI {11492}
     (segid "    " and resid "88  " and name "HA  ")
     (segid "    " and resid "88  " and name "HB2 ")
      5.000     5.000     0.000 peak 11492 weight  0.10000E+01 volume  0.13540E+01 ppm1      4.660 ppm2      2.541
 ASSI {11493}
     (segid "    " and resid "88  " and name "HA  ")
     (segid "    " and resid "88  " and name "HD2 ")
      5.000     5.000     0.000 peak 11493 weight  0.10000E+01 volume  0.10220E+01 ppm1      4.663 ppm2      7.437
 OR {11493}
     (segid "    " and resid "88  " and name "HA  ")
     (segid "    " and resid "88  " and name "HD1 ")
 ASSI {11496}
     (segid "    " and resid "88  " and name "HB2 ")
     (segid "    " and resid "88  " and name "HB1 ")
      5.000     5.000     0.000 peak 11496 weight  0.10000E+01 volume  0.59000E+00 ppm1      2.533 ppm2      3.434
 ASSI {11498}
     (segid "    " and resid "88  " and name "HB1 ")
     (segid "    " and resid "88  " and name "HD2 ")
      6.000     6.000     0.000 peak 11498 weight  0.10000E+01 volume  0.24600E+00 ppm1      3.452 ppm2      7.435
 OR {11498}
     (segid "    " and resid "88  " and name "HB1 ")
     (segid "    " and resid "88  " and name "HD1 ")
 ASSI {11499}
     (segid "    " and resid "88  " and name "HB2 ")
     (segid "    " and resid "88  " and name "HD1 ")
      6.000     6.000     0.000 peak 11499 weight  0.10000E+01 volume  0.27200E+00 ppm1      2.535 ppm2      7.441
 OR {11499}
     (segid "    " and resid "88  " and name "HB2 ")
     (segid "    " and resid "88  " and name "HD2 ")
 ASSI {11503}
     (segid "    " and resid "89  " and name "HA  ")
     (segid "    " and resid "89  " and name "HB1 ")
      5.000     5.000     0.000 peak 11503 weight  0.10000E+01 volume  0.91300E+00 ppm1      3.725 ppm2      1.827
 ASSI {11504}
     (segid "    " and resid "89  " and name "HA  ")
     (segid "    " and resid "89  " and name "HD23")
      3.300     3.300     0.000 peak 11504 weight  0.10000E+01 volume  0.26440E+01 ppm1      3.716 ppm2      0.605
 OR {11504}
     (segid "    " and resid "89  " and name "HA  ")
     (segid "    " and resid "89  " and name "HD21")
 OR {11504}
     (segid "    " and resid "89  " and name "HA  ")
     (segid "    " and resid "89  " and name "HD22")
 ASSI {11505}
     (segid "    " and resid "89  " and name "HA  ")
     (segid "    " and resid "89  " and name "HG  ")
      5.000     5.000     0.000 peak 11505 weight  0.10000E+01 volume  0.13900E+01 ppm1      3.712 ppm2      1.283
 ASSI {11507}
     (segid "    " and resid "89  " and name "HB2 ")
     (segid "    " and resid "89  " and name "HA  ")
      5.000     5.000     0.000 peak 11507 weight  0.10000E+01 volume  0.50300E+00 ppm1      1.237 ppm2      3.728
 ASSI {11508}
     (segid "    " and resid "89  " and name "HB2 ")
     (segid "    " and resid "89  " and name "HB1 ")
      5.000     5.000     0.000 peak 11508 weight  0.10000E+01 volume  0.16440E+01 ppm1      1.228 ppm2      1.817
 ASSI {11509}
     (segid "    " and resid "89  " and name "HB1 ")
     (segid "    " and resid "89  " and name "HD11")
      5.000     5.000     0.000 peak 11509 weight  0.10000E+01 volume  0.18530E+01 ppm1      1.825 ppm2      0.820
 OR {11509}
     (segid "    " and resid "89  " and name "HB1 ")
     (segid "    " and resid "89  " and name "HD12")
 OR {11509}
     (segid "    " and resid "89  " and name "HB1 ")
     (segid "    " and resid "89  " and name "HD13")
 ASSI {11510}
     (segid "    " and resid "89  " and name "HB2 ")
     (segid "    " and resid "89  " and name "HD11")
      5.000     5.000     0.000 peak 11510 weight  0.10000E+01 volume  0.10390E+01 ppm1      1.233 ppm2      0.823
 OR {11510}
     (segid "    " and resid "89  " and name "HB2 ")
     (segid "    " and resid "89  " and name "HD12")
 OR {11510}
     (segid "    " and resid "89  " and name "HB2 ")
     (segid "    " and resid "89  " and name "HD13")
 ASSI {11511}
     (segid "    " and resid "89  " and name "HB1 ")
     (segid "    " and resid "89  " and name "HD23")
      5.000     5.000     0.000 peak 11511 weight  0.10000E+01 volume  0.81300E+00 ppm1      1.822 ppm2      0.609
 OR {11511}
     (segid "    " and resid "89  " and name "HB1 ")
     (segid "    " and resid "89  " and name "HD21")
 OR {11511}
     (segid "    " and resid "89  " and name "HB1 ")
     (segid "    " and resid "89  " and name "HD22")
 ASSI {11512}
     (segid "    " and resid "89  " and name "HB2 ")
     (segid "    " and resid "89  " and name "HD22")
      5.000     5.000     0.000 peak 11512 weight  0.10000E+01 volume  0.77700E+00 ppm1      1.235 ppm2      0.604
 OR {11512}
     (segid "    " and resid "89  " and name "HB2 ")
     (segid "    " and resid "89  " and name "HD23")
 OR {11512}
     (segid "    " and resid "89  " and name "HB2 ")
     (segid "    " and resid "89  " and name "HD21")
 ASSI {11513}
     (segid "    " and resid "89  " and name "HD13")
     (segid "    " and resid "89  " and name "HD21")
      2.700     2.700     0.000 peak 11513 weight  0.10000E+01 volume -0.70620E+01 ppm1      0.819 ppm2      0.605
 OR {11513}
     (segid "    " and resid "89  " and name "HD11")
     (segid "    " and resid "89  " and name "HD21")
 OR {11513}
     (segid "    " and resid "89  " and name "HD13")
     (segid "    " and resid "89  " and name "HD22")
 OR {11513}
     (segid "    " and resid "89  " and name "HD11")
     (segid "    " and resid "89  " and name "HD23")
 OR {11513}
     (segid "    " and resid "89  " and name "HD11")
     (segid "    " and resid "89  " and name "HD22")
 OR {11513}
     (segid "    " and resid "89  " and name "HD12")
     (segid "    " and resid "89  " and name "HD22")
 OR {11513}
     (segid "    " and resid "89  " and name "HD12")
     (segid "    " and resid "89  " and name "HD23")
 OR {11513}
     (segid "    " and resid "89  " and name "HD13")
     (segid "    " and resid "89  " and name "HD23")
 OR {11513}
     (segid "    " and resid "89  " and name "HD12")
     (segid "    " and resid "89  " and name "HD21")
 ASSI {11514}
     (segid "    " and resid "89  " and name "HD13")
     (segid "    " and resid "89  " and name "HG  ")
      2.700     2.700     0.000 peak 11514 weight  0.10000E+01 volume -0.72340E+01 ppm1      0.819 ppm2      1.299
 OR {11514}
     (segid "    " and resid "89  " and name "HD12")
     (segid "    " and resid "89  " and name "HG  ")
 OR {11514}
     (segid "    " and resid "89  " and name "HD11")
     (segid "    " and resid "89  " and name "HG  ")
 ASSI {11517}
     (segid "    " and resid "89  " and name "HD22")
     (segid "    " and resid "89  " and name "HG  ")
      3.300     3.300     0.000 peak 11517 weight  0.10000E+01 volume -0.33820E+01 ppm1      0.605 ppm2      1.299
 OR {11517}
     (segid "    " and resid "89  " and name "HD21")
     (segid "    " and resid "89  " and name "HG  ")
 OR {11517}
     (segid "    " and resid "89  " and name "HD23")
     (segid "    " and resid "89  " and name "HG  ")
 ASSI {11518}
     (segid "    " and resid "89  " and name "HD21")
     (segid "    " and resid "92  " and name "HB1 ")
      5.000     5.000     0.000 peak 11518 weight  0.10000E+01 volume -0.61600E+00 ppm1      0.605 ppm2      2.073
 OR {11518}
     (segid "    " and resid "89  " and name "HD22")
     (segid "    " and resid "92  " and name "HB1 ")
 OR {11518}
     (segid "    " and resid "89  " and name "HD23")
     (segid "    " and resid "92  " and name "HB1 ")
 ASSI {11519}
     (segid "    " and resid "89  " and name "HD22")
     (segid "    " and resid "127 " and name "HA  ")
      5.000     5.000     0.000 peak 11519 weight  0.10000E+01 volume -0.13020E+01 ppm1      0.606 ppm2      4.300
 OR {11519}
     (segid "    " and resid "89  " and name "HD21")
     (segid "    " and resid "127 " and name "HA  ")
 OR {11519}
     (segid "    " and resid "89  " and name "HD23")
     (segid "    " and resid "127 " and name "HA  ")
 ASSI {11520}
     (segid "    " and resid "89  " and name "HD21")
     (segid "    " and resid "127 " and name "HB1 ")
      5.000     5.000     0.000 peak 11520 weight  0.10000E+01 volume -0.76200E+00 ppm1      0.605 ppm2      3.415
 OR {11520}
     (segid "    " and resid "89  " and name "HD22")
     (segid "    " and resid "127 " and name "HB1 ")
 OR {11520}
     (segid "    " and resid "89  " and name "HD23")
     (segid "    " and resid "127 " and name "HB1 ")
 ASSI {11521}
     (segid "    " and resid "89  " and name "HD22")
     (segid "    " and resid "127 " and name "HB2 ")
      5.000     5.000     0.000 peak 11521 weight  0.10000E+01 volume -0.59000E+00 ppm1      0.604 ppm2      2.948
 OR {11521}
     (segid "    " and resid "89  " and name "HD21")
     (segid "    " and resid "127 " and name "HB2 ")
 OR {11521}
     (segid "    " and resid "89  " and name "HD23")
     (segid "    " and resid "127 " and name "HB2 ")
 ASSI {11522}
     (segid "    " and resid "89  " and name "HD23")
     (segid "    " and resid "127 " and name "HD1 ")
      5.000     5.000     0.000 peak 11522 weight  0.10000E+01 volume -0.48800E+00 ppm1      0.605 ppm2      7.120
 OR {11522}
     (segid "    " and resid "89  " and name "HD21")
     (segid "    " and resid "127 " and name "HD1 ")
 OR {11522}
     (segid "    " and resid "89  " and name "HD22")
     (segid "    " and resid "127 " and name "HD1 ")
 OR {11522}
     (segid "    " and resid "89  " and name "HD22")
     (segid "    " and resid "127 " and name "HD2 ")
 OR {11522}
     (segid "    " and resid "89  " and name "HD23")
     (segid "    " and resid "127 " and name "HD2 ")
 OR {11522}
     (segid "    " and resid "89  " and name "HD21")
     (segid "    " and resid "127 " and name "HD2 ")
 ASSI {11523}
     (segid "    " and resid "89  " and name "HD23")
     (segid "    " and resid "127 " and name "HE1 ")
      6.000     6.000     0.000 peak 11523 weight  0.10000E+01 volume -0.22300E+00 ppm1      0.608 ppm2      7.226
 OR {11523}
     (segid "    " and resid "89  " and name "HD21")
     (segid "    " and resid "127 " and name "HE1 ")
 OR {11523}
     (segid "    " and resid "89  " and name "HD22")
     (segid "    " and resid "127 " and name "HE1 ")
 OR {11523}
     (segid "    " and resid "89  " and name "HD22")
     (segid "    " and resid "127 " and name "HE2 ")
 OR {11523}
     (segid "    " and resid "89  " and name "HD23")
     (segid "    " and resid "127 " and name "HE2 ")
 OR {11523}
     (segid "    " and resid "89  " and name "HD21")
     (segid "    " and resid "127 " and name "HE2 ")
 ASSI {11526}
     (segid "    " and resid "90  " and name "HA  ")
     (segid "    " and resid "90  " and name "HB1 ")
      5.000     5.000     0.000 peak 11526 weight  0.10000E+01 volume  0.15490E+01 ppm1      4.257 ppm2      2.751
 ASSI {11527}
     (segid "    " and resid "90  " and name "HA  ")
     (segid "    " and resid "90  " and name "HB2 ")
      5.000     5.000     0.000 peak 11527 weight  0.10000E+01 volume  0.19080E+01 ppm1      4.257 ppm2      2.578
 ASSI {11532}
     (segid "    " and resid "90  " and name "HB2 ")
     (segid "    " and resid "90  " and name "HB1 ")
      3.300     3.300     0.000 peak 11532 weight  0.10000E+01 volume  0.26780E+01 ppm1      2.576 ppm2      2.751
 ASSI {11534}
     (segid "    " and resid "91  " and name "HA  ")
     (segid "    " and resid "91  " and name "HB  ")
      5.000     5.000     0.000 peak 11534 weight  0.10000E+01 volume -0.57500E+00 ppm1      3.762 ppm2      4.205
 ASSI {11535}
     (segid "    " and resid "91  " and name "HA  ")
     (segid "    " and resid "91  " and name "HG21")
      3.300     3.300     0.000 peak 11535 weight  0.10000E+01 volume -0.32490E+01 ppm1      3.758 ppm2      1.138
 OR {11535}
     (segid "    " and resid "91  " and name "HA  ")
     (segid "    " and resid "91  " and name "HG23")
 OR {11535}
     (segid "    " and resid "91  " and name "HA  ")
     (segid "    " and resid "91  " and name "HG22")
 ASSI {11537}
     (segid "    " and resid "91  " and name "HB  ")
     (segid "    " and resid "91  " and name "HG21")
      3.300     3.300     0.000 peak 11537 weight  0.10000E+01 volume -0.21200E+01 ppm1      4.208 ppm2      1.139
 OR {11537}
     (segid "    " and resid "91  " and name "HB  ")
     (segid "    " and resid "91  " and name "HG23")
 OR {11537}
     (segid "    " and resid "91  " and name "HB  ")
     (segid "    " and resid "91  " and name "HG22")
 ASSI {11540}
     (segid "    " and resid "92  " and name "HB1 ")
     (segid "    " and resid "92  " and name "HA  ")
      5.000     5.000     0.000 peak 11540 weight  0.10000E+01 volume  0.54500E+00 ppm1      2.077 ppm2      3.881
 ASSI {11541}
     (segid "    " and resid "92  " and name "HB2 ")
     (segid "    " and resid "92  " and name "HA  ")
      5.000     5.000     0.000 peak 11541 weight  0.10000E+01 volume  0.90300E+00 ppm1      1.381 ppm2      3.879
 ASSI {11543}
     (segid "    " and resid "92  " and name "HB1 ")
     (segid "    " and resid "92  " and name "HB2 ")
      3.300     3.300     0.000 peak 11543 weight  0.10000E+01 volume  0.23710E+01 ppm1      2.081 ppm2      1.380
 ASSI {11544}
     (segid "    " and resid "92  " and name "HD12")
     (segid "    " and resid "92  " and name "HA  ")
      5.000     5.000     0.000 peak 11544 weight  0.10000E+01 volume -0.12560E+01 ppm1      0.951 ppm2      3.872
 OR {11544}
     (segid "    " and resid "92  " and name "HD13")
     (segid "    " and resid "92  " and name "HA  ")
 OR {11544}
     (segid "    " and resid "92  " and name "HD11")
     (segid "    " and resid "92  " and name "HA  ")
 ASSI {11545}
     (segid "    " and resid "92  " and name "HD13")
     (segid "    " and resid "92  " and name "HB1 ")
      3.300     3.300     0.000 peak 11545 weight  0.10000E+01 volume -0.26050E+01 ppm1      0.961 ppm2      2.074
 OR {11545}
     (segid "    " and resid "92  " and name "HD11")
     (segid "    " and resid "92  " and name "HB1 ")
 OR {11545}
     (segid "    " and resid "92  " and name "HD12")
     (segid "    " and resid "92  " and name "HB1 ")
 ASSI {11546}
     (segid "    " and resid "92  " and name "HD11")
     (segid "    " and resid "92  " and name "HG  ")
      5.000     5.000     0.000 peak 11546 weight  0.10000E+01 volume -0.18380E+01 ppm1      0.958 ppm2      1.627
 OR {11546}
     (segid "    " and resid "92  " and name "HD13")
     (segid "    " and resid "92  " and name "HG  ")
 OR {11546}
     (segid "    " and resid "92  " and name "HD12")
     (segid "    " and resid "92  " and name "HG  ")
 ASSI {11547}
     (segid "    " and resid "92  " and name "HD21")
     (segid "    " and resid "92  " and name "HA  ")
      3.300     3.300     0.000 peak 11547 weight  0.10000E+01 volume -0.32230E+01 ppm1      1.010 ppm2      3.874
 OR {11547}
     (segid "    " and resid "92  " and name "HD22")
     (segid "    " and resid "92  " and name "HA  ")
 OR {11547}
     (segid "    " and resid "92  " and name "HD23")
     (segid "    " and resid "92  " and name "HA  ")
 ASSI {11548}
     (segid "    " and resid "92  " and name "HD21")
     (segid "    " and resid "92  " and name "HB1 ")
      3.300     3.300     0.000 peak 11548 weight  0.10000E+01 volume -0.22640E+01 ppm1      1.006 ppm2      2.078
 OR {11548}
     (segid "    " and resid "92  " and name "HD22")
     (segid "    " and resid "92  " and name "HB1 ")
 OR {11548}
     (segid "    " and resid "92  " and name "HD23")
     (segid "    " and resid "92  " and name "HB1 ")
 ASSI {11549}
     (segid "    " and resid "92  " and name "HG  ")
     (segid "    " and resid "92  " and name "HA  ")
      5.000     5.000     0.000 peak 11549 weight  0.10000E+01 volume -0.15730E+01 ppm1      1.625 ppm2      3.887
 ASSI {11550}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "93  " and name "HB1 ")
      5.000     5.000     0.000 peak 11550 weight  0.10000E+01 volume -0.16820E+01 ppm1      3.701 ppm2      1.753
 ASSI {11551}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "93  " and name "HB2 ")
      5.000     5.000     0.000 peak 11551 weight  0.10000E+01 volume -0.17270E+01 ppm1      3.701 ppm2      1.673
 ASSI {11552}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "127 " and name "HE1 ")
      5.000     5.000     0.000 peak 11552 weight  0.10000E+01 volume -0.60200E+00 ppm1      3.701 ppm2      7.224
 OR {11552}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "127 " and name "HE2 ")
 ASSI {11553}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "127 " and name "HZ  ")
      5.000     5.000     0.000 peak 11553 weight  0.10000E+01 volume -0.61500E+00 ppm1      3.708 ppm2      7.331
 ASSI {11556}
     (segid "    " and resid "93  " and name "HB1 ")
     (segid "    " and resid "93  " and name "HD2 ")
      5.000     5.000     0.000 peak 11556 weight  0.10000E+01 volume -0.16780E+01 ppm1      1.761 ppm2      1.459
 OR {11556}
     (segid "    " and resid "93  " and name "HB1 ")
     (segid "    " and resid "93  " and name "HD1 ")
 ASSI {11557}
     (segid "    " and resid "93  " and name "HB1 ")
     (segid "    " and resid "93  " and name "HE1 ")
      6.000     6.000     0.000 peak 11557 weight  0.10000E+01 volume -0.25100E+00 ppm1      1.763 ppm2      2.740
 ASSI {11558}
     (segid "    " and resid "93  " and name "HB2 ")
     (segid "    " and resid "93  " and name "HE1 ")
      6.000     6.000     0.000 peak 11558 weight  0.10000E+01 volume -0.19800E+00 ppm1      1.673 ppm2      2.740
 ASSI {11559}
     (segid "    " and resid "93  " and name "HB2 ")
     (segid "    " and resid "93  " and name "HE2 ")
      5.000     5.000     0.000 peak 11559 weight  0.10000E+01 volume -0.54200E+00 ppm1      1.673 ppm2      2.607
 ASSI {11560}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "93  " and name "HA  ")
      5.000     5.000     0.000 peak 11560 weight  0.10000E+01 volume -0.57400E+00 ppm1      1.455 ppm2      3.711
 OR {11560}
     (segid "    " and resid "93  " and name "HD2 ")
     (segid "    " and resid "93  " and name "HA  ")
 ASSI {11561}
     (segid "    " and resid "93  " and name "HD2 ")
     (segid "    " and resid "93  " and name "HE1 ")
      5.000     5.000     0.000 peak 11561 weight  0.10000E+01 volume -0.11900E+01 ppm1      1.452 ppm2      2.730
 OR {11561}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "93  " and name "HE1 ")
 ASSI {11562}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "93  " and name "HE2 ")
      5.000     5.000     0.000 peak 11562 weight  0.10000E+01 volume -0.11030E+01 ppm1      1.442 ppm2      2.592
 OR {11562}
     (segid "    " and resid "93  " and name "HD2 ")
     (segid "    " and resid "93  " and name "HE2 ")
 ASSI {11563}
     (segid "    " and resid "93  " and name "HE1 ")
     (segid "    " and resid "93  " and name "HA  ")
      6.000     6.000     0.000 peak 11563 weight  0.10000E+01 volume  0.10900E+00 ppm1      2.735 ppm2      3.712
 ASSI {11564}
     (segid "    " and resid "93  " and name "HE2 ")
     (segid "    " and resid "93  " and name "HA  ")
      6.000     6.000     0.000 peak 11564 weight  0.10000E+01 volume  0.11100E+00 ppm1      2.590 ppm2      3.721
 ASSI {11566}
     (segid "    " and resid "93  " and name "HE2 ")
     (segid "    " and resid "93  " and name "HB1 ")
      6.000     6.000     0.000 peak 11566 weight  0.10000E+01 volume  0.24800E+00 ppm1      2.581 ppm2      1.775
 ASSI {11571}
     (segid "    " and resid "93  " and name "HE1 ")
     (segid "    " and resid "93  " and name "HE2 ")
      2.700     2.700     0.000 peak 11571 weight  0.10000E+01 volume  0.75080E+01 ppm1      2.743 ppm2      2.591
 ASSI {11572}
     (segid "    " and resid "93  " and name "HE1 ")
     (segid "    " and resid "93  " and name "HG1 ")
      5.000     5.000     0.000 peak 11572 weight  0.10000E+01 volume  0.49900E+00 ppm1      2.730 ppm2      1.092
 ASSI {11573}
     (segid "    " and resid "93  " and name "HE2 ")
     (segid "    " and resid "93  " and name "HG1 ")
      5.000     5.000     0.000 peak 11573 weight  0.10000E+01 volume  0.52300E+00 ppm1      2.583 ppm2      1.088
 ASSI {11574}
     (segid "    " and resid "93  " and name "HE1 ")
     (segid "    " and resid "93  " and name "HG2 ")
      5.000     5.000     0.000 peak 11574 weight  0.10000E+01 volume  0.72600E+00 ppm1      2.737 ppm2      0.612
 ASSI {11575}
     (segid "    " and resid "93  " and name "HE2 ")
     (segid "    " and resid "93  " and name "HG2 ")
      5.000     5.000     0.000 peak 11575 weight  0.10000E+01 volume  0.86600E+00 ppm1      2.585 ppm2      0.610
 ASSI {11576}
     (segid "    " and resid "93  " and name "HG1 ")
     (segid "    " and resid "93  " and name "HA  ")
      5.000     5.000     0.000 peak 11576 weight  0.10000E+01 volume -0.11170E+01 ppm1      1.099 ppm2      3.713
 ASSI {11577}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HA  ")
      5.000     5.000     0.000 peak 11577 weight  0.10000E+01 volume -0.60700E+00 ppm1      0.631 ppm2      3.713
 ASSI {11578}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HB1 ")
      5.000     5.000     0.000 peak 11578 weight  0.10000E+01 volume -0.88700E+00 ppm1      0.632 ppm2      1.761
 ASSI {11579}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HB2 ")
      5.000     5.000     0.000 peak 11579 weight  0.10000E+01 volume -0.81500E+00 ppm1      0.632 ppm2      1.673
 ASSI {11580}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HD1 ")
      5.000     5.000     0.000 peak 11580 weight  0.10000E+01 volume -0.96600E+00 ppm1      0.630 ppm2      1.453
 OR {11580}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HD2 ")
 ASSI {11585}
     (segid "    " and resid "94  " and name "HA  ")
     (segid "    " and resid "94  " and name "HB  ")
      3.300     3.300     0.000 peak 11585 weight  0.10000E+01 volume -0.21650E+01 ppm1      4.048 ppm2      2.260
 ASSI {11586}
     (segid "    " and resid "94  " and name "HA  ")
     (segid "    " and resid "94  " and name "HG11")
      3.300     3.300     0.000 peak 11586 weight  0.10000E+01 volume -0.21770E+01 ppm1      4.048 ppm2      1.193
 OR {11586}
     (segid "    " and resid "94  " and name "HA  ")
     (segid "    " and resid "94  " and name "HG12")
 OR {11586}
     (segid "    " and resid "94  " and name "HA  ")
     (segid "    " and resid "94  " and name "HG13")
 ASSI {11587}
     (segid "    " and resid "94  " and name "HA  ")
     (segid "    " and resid "94  " and name "HG22")
      3.300     3.300     0.000 peak 11587 weight  0.10000E+01 volume -0.21450E+01 ppm1      4.048 ppm2      0.979
 OR {11587}
     (segid "    " and resid "94  " and name "HA  ")
     (segid "    " and resid "94  " and name "HG23")
 OR {11587}
     (segid "    " and resid "94  " and name "HA  ")
     (segid "    " and resid "94  " and name "HG21")
 ASSI {11589}
     (segid "    " and resid "94  " and name "HB  ")
     (segid "    " and resid "94  " and name "HG12")
      3.300     3.300     0.000 peak 11589 weight  0.10000E+01 volume -0.33190E+01 ppm1      2.260 ppm2      1.195
 OR {11589}
     (segid "    " and resid "94  " and name "HB  ")
     (segid "    " and resid "94  " and name "HG13")
 OR {11589}
     (segid "    " and resid "94  " and name "HB  ")
     (segid "    " and resid "94  " and name "HG11")
 ASSI {11592}
     (segid "    " and resid "94  " and name "HG13")
     (segid "    " and resid "94  " and name "HG22")
      2.700     2.700     0.000 peak 11592 weight  0.10000E+01 volume -0.13686E+02 ppm1      1.193 ppm2      0.966
 OR {11592}
     (segid "    " and resid "94  " and name "HG12")
     (segid "    " and resid "94  " and name "HG22")
 OR {11592}
     (segid "    " and resid "94  " and name "HG11")
     (segid "    " and resid "94  " and name "HG23")
 OR {11592}
     (segid "    " and resid "94  " and name "HG11")
     (segid "    " and resid "94  " and name "HG21")
 OR {11592}
     (segid "    " and resid "94  " and name "HG11")
     (segid "    " and resid "94  " and name "HG22")
 OR {11592}
     (segid "    " and resid "94  " and name "HG12")
     (segid "    " and resid "94  " and name "HG23")
 OR {11592}
     (segid "    " and resid "94  " and name "HG12")
     (segid "    " and resid "94  " and name "HG21")
 OR {11592}
     (segid "    " and resid "94  " and name "HG13")
     (segid "    " and resid "94  " and name "HG21")
 OR {11592}
     (segid "    " and resid "94  " and name "HG13")
     (segid "    " and resid "94  " and name "HG23")
 ASSI {11593}
     (segid "    " and resid "94  " and name "HG23")
     (segid "    " and resid "94  " and name "HB  ")
      2.700     2.700     0.000 peak 11593 weight  0.10000E+01 volume -0.48500E+01 ppm1      0.975 ppm2      2.265
 OR {11593}
     (segid "    " and resid "94  " and name "HG21")
     (segid "    " and resid "94  " and name "HB  ")
 OR {11593}
     (segid "    " and resid "94  " and name "HG22")
     (segid "    " and resid "94  " and name "HB  ")
 ASSI {11594}
     (segid "    " and resid "95  " and name "HA  ")
     (segid "    " and resid "95  " and name "HB2 ")
      5.000     5.000     0.000 peak 11594 weight  0.10000E+01 volume  0.18810E+01 ppm1      3.918 ppm2      1.168
 ASSI {11596}
     (segid "    " and resid "95  " and name "HB2 ")
     (segid "    " and resid "95  " and name "HB1 ")
      5.000     5.000     0.000 peak 11596 weight  0.10000E+01 volume  0.74100E+00 ppm1      1.167 ppm2      2.260
 ASSI {11598}
     (segid "    " and resid "95  " and name "HB1 ")
     (segid "    " and resid "95  " and name "HD11")
      5.000     5.000     0.000 peak 11598 weight  0.10000E+01 volume  0.81900E+00 ppm1      2.260 ppm2      0.770
 OR {11598}
     (segid "    " and resid "95  " and name "HB1 ")
     (segid "    " and resid "95  " and name "HD13")
 OR {11598}
     (segid "    " and resid "95  " and name "HB1 ")
     (segid "    " and resid "95  " and name "HD12")
 ASSI {11599}
     (segid "    " and resid "95  " and name "HB1 ")
     (segid "    " and resid "95  " and name "HG  ")
      5.000     5.000     0.000 peak 11599 weight  0.10000E+01 volume  0.51200E+00 ppm1      2.264 ppm2      1.748
 ASSI {11600}
     (segid "    " and resid "95  " and name "HB2 ")
     (segid "    " and resid "95  " and name "HG  ")
      5.000     5.000     0.000 peak 11600 weight  0.10000E+01 volume  0.56000E+00 ppm1      1.163 ppm2      1.731
 ASSI {11605}
     (segid "    " and resid "95  " and name "HG  ")
     (segid "    " and resid "95  " and name "HA  ")
      5.000     5.000     0.000 peak 11605 weight  0.10000E+01 volume -0.16210E+01 ppm1      1.753 ppm2      3.915
 ASSI {11606}
     (segid "    " and resid "96  " and name "HA  ")
     (segid "    " and resid "96  " and name "HB  ")
      5.000     5.000     0.000 peak 11606 weight  0.10000E+01 volume -0.89300E+00 ppm1      3.761 ppm2      2.342
 ASSI {11607}
     (segid "    " and resid "96  " and name "HG13")
     (segid "    " and resid "96  " and name "HB  ")
      3.300     3.300     0.000 peak 11607 weight  0.10000E+01 volume -0.32200E+01 ppm1      1.139 ppm2      2.340
 OR {11607}
     (segid "    " and resid "96  " and name "HG11")
     (segid "    " and resid "96  " and name "HB  ")
 OR {11607}
     (segid "    " and resid "96  " and name "HG12")
     (segid "    " and resid "96  " and name "HB  ")
 ASSI {11608}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "96  " and name "HB  ")
      3.300     3.300     0.000 peak 11608 weight  0.10000E+01 volume -0.33700E+01 ppm1      1.113 ppm2      2.340
 OR {11608}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "96  " and name "HB  ")
 OR {11608}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "96  " and name "HB  ")
 ASSI {11609}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "127 " and name "HD1 ")
      6.000     6.000     0.000 peak 11609 weight  0.10000E+01 volume -0.22500E+00 ppm1      1.118 ppm2      7.124
 OR {11609}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "127 " and name "HD2 ")
 OR {11609}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "127 " and name "HD2 ")
 OR {11609}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "127 " and name "HD1 ")
 OR {11609}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "127 " and name "HD1 ")
 OR {11609}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "127 " and name "HD2 ")
 ASSI {11610}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "127 " and name "HE1 ")
      5.000     5.000     0.000 peak 11610 weight  0.10000E+01 volume -0.68300E+00 ppm1      1.124 ppm2      7.215
 OR {11610}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "127 " and name "HE2 ")
 OR {11610}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "127 " and name "HE2 ")
 OR {11610}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "127 " and name "HE1 ")
 OR {11610}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "127 " and name "HE2 ")
 OR {11610}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "127 " and name "HE1 ")
 ASSI {11611}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "127 " and name "HZ  ")
      5.000     5.000     0.000 peak 11611 weight  0.10000E+01 volume -0.63500E+00 ppm1      1.113 ppm2      7.332
 OR {11611}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "127 " and name "HZ  ")
 OR {11611}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "127 " and name "HZ  ")
 ASSI {11612}
     (segid "    " and resid "97  " and name "HB2 ")
     (segid "    " and resid "97  " and name "HA  ")
      3.300     3.300     0.000 peak 11612 weight  0.10000E+01 volume -0.25220E+01 ppm1      2.020 ppm2      4.102
 ASSI {11613}
     (segid "    " and resid "97  " and name "HB2 ")
     (segid "    " and resid "97  " and name "HB1 ")
      2.700     2.700     0.000 peak 11613 weight  0.10000E+01 volume -0.71440E+01 ppm1      2.020 ppm2      2.260
 ASSI {11614}
     (segid "    " and resid "97  " and name "HB2 ")
     (segid "    " and resid "97  " and name "HG1 ")
      3.300     3.300     0.000 peak 11614 weight  0.10000E+01 volume -0.37460E+01 ppm1      2.020 ppm2      2.420
 ASSI {11615}
     (segid "    " and resid "97  " and name "HG1 ")
     (segid "    " and resid "97  " and name "HA  ")
      5.000     5.000     0.000 peak 11615 weight  0.10000E+01 volume  0.81500E+00 ppm1      2.410 ppm2      4.095
 ASSI {11616}
     (segid "    " and resid "97  " and name "HG2 ")
     (segid "    " and resid "97  " and name "HA  ")
      5.000     5.000     0.000 peak 11616 weight  0.10000E+01 volume  0.90500E+00 ppm1      2.088 ppm2      4.105
 ASSI {11617}
     (segid "    " and resid "98  " and name "HA  ")
     (segid "    " and resid "98  " and name "HB1 ")
      5.000     5.000     0.000 peak 11617 weight  0.10000E+01 volume  0.94100E+00 ppm1      4.579 ppm2      3.711
 ASSI {11618}
     (segid "    " and resid "98  " and name "HA  ")
     (segid "    " and resid "98  " and name "HB2 ")
      5.000     5.000     0.000 peak 11618 weight  0.10000E+01 volume  0.76600E+00 ppm1      4.582 ppm2      2.845
 ASSI {11620}
     (segid "    " and resid "98  " and name "HB1 ")
     (segid "    " and resid "98  " and name "HB2 ")
      5.000     5.000     0.000 peak 11620 weight  0.10000E+01 volume -0.30700E+00 ppm1      3.722 ppm2      2.855
 ASSI {11621}
     (segid "    " and resid "99  " and name "HA2 ")
     (segid "    " and resid "99  " and name "HA1 ")
      5.000     5.000     0.000 peak 11621 weight  0.10000E+01 volume  0.19240E+01 ppm1      3.844 ppm2      4.340
 ASSI {11623}
     (segid "    " and resid "100 " and name "HA  ")
     (segid "    " and resid "69  " and name "HG1 ")
      5.000     5.000     0.000 peak 11623 weight  0.10000E+01 volume  0.33000E+00 ppm1      4.234 ppm2      2.127
 ASSI {11624}
     (segid "    " and resid "100 " and name "HA  ")
     (segid "    " and resid "69  " and name "HG2 ")
      5.000     5.000     0.000 peak 11624 weight  0.10000E+01 volume  0.65000E+00 ppm1      4.226 ppm2      1.835
 ASSI {11625}
     (segid "    " and resid "100 " and name "HA  ")
     (segid "    " and resid "100 " and name "HB1 ")
      3.300     3.300     0.000 peak 11625 weight  0.10000E+01 volume  0.30610E+01 ppm1      4.230 ppm2      1.131
 OR {11625}
     (segid "    " and resid "100 " and name "HA  ")
     (segid "    " and resid "100 " and name "HB2 ")
 OR {11625}
     (segid "    " and resid "100 " and name "HA  ")
     (segid "    " and resid "100 " and name "HB3 ")
 ASSI {11626}
     (segid "    " and resid "101 " and name "HA  ")
     (segid "    " and resid "101 " and name "HB1 ")
      5.000     5.000     0.000 peak 11626 weight  0.10000E+01 volume  0.13730E+01 ppm1      4.647 ppm2      2.768
 ASSI {11627}
     (segid "    " and resid "101 " and name "HA  ")
     (segid "    " and resid "101 " and name "HB2 ")
      5.000     5.000     0.000 peak 11627 weight  0.10000E+01 volume  0.19000E+01 ppm1      4.648 ppm2      2.649
 ASSI {11630}
     (segid "    " and resid "102 " and name "HA  ")
     (segid "    " and resid "102 " and name "HB  ")
      3.300     3.300     0.000 peak 11630 weight  0.10000E+01 volume -0.21430E+01 ppm1      3.888 ppm2      2.207
 ASSI {11631}
     (segid "    " and resid "102 " and name "HA  ")
     (segid "    " and resid "102 " and name "HG11")
      2.700     2.700     0.000 peak 11631 weight  0.10000E+01 volume -0.76540E+01 ppm1      3.888 ppm2      0.872
 OR {11631}
     (segid "    " and resid "102 " and name "HA  ")
     (segid "    " and resid "102 " and name "HG12")
 OR {11631}
     (segid "    " and resid "102 " and name "HA  ")
     (segid "    " and resid "102 " and name "HG22")
 OR {11631}
     (segid "    " and resid "102 " and name "HA  ")
     (segid "    " and resid "102 " and name "HG13")
 OR {11631}
     (segid "    " and resid "102 " and name "HA  ")
     (segid "    " and resid "102 " and name "HG21")
 OR {11631}
     (segid "    " and resid "102 " and name "HA  ")
     (segid "    " and resid "102 " and name "HG23")
 ASSI {11633}
     (segid "    " and resid "102 " and name "HG11")
     (segid "    " and resid "102 " and name "HA  ")
      2.700     2.700     0.000 peak 11633 weight  0.10000E+01 volume -0.73440E+01 ppm1      0.872 ppm2      3.892
 OR {11633}
     (segid "    " and resid "102 " and name "HG12")
     (segid "    " and resid "102 " and name "HA  ")
 OR {11633}
     (segid "    " and resid "102 " and name "HG13")
     (segid "    " and resid "102 " and name "HA  ")
 ASSI {11634}
     (segid "    " and resid "102 " and name "HG12")
     (segid "    " and resid "102 " and name "HB  ")
      2.700     2.700     0.000 peak 11634 weight  0.10000E+01 volume -0.50540E+01 ppm1      0.879 ppm2      2.207
 OR {11634}
     (segid "    " and resid "102 " and name "HG11")
     (segid "    " and resid "102 " and name "HB  ")
 OR {11634}
     (segid "    " and resid "102 " and name "HG13")
     (segid "    " and resid "102 " and name "HB  ")
 ASSI {11635}
     (segid "    " and resid "102 " and name "HG13")
     (segid "    " and resid "132 " and name "HA  ")
      6.000     6.000     0.000 peak 11635 weight  0.10000E+01 volume -0.24200E+00 ppm1      0.878 ppm2      5.102
 OR {11635}
     (segid "    " and resid "102 " and name "HG11")
     (segid "    " and resid "132 " and name "HA  ")
 OR {11635}
     (segid "    " and resid "102 " and name "HG12")
     (segid "    " and resid "132 " and name "HA  ")
 ASSI {11636}
     (segid "    " and resid "102 " and name "HG22")
     (segid "    " and resid "102 " and name "HA  ")
      5.000     5.000     0.000 peak 11636 weight  0.10000E+01 volume -0.12230E+01 ppm1      0.872 ppm2      3.888
 OR {11636}
     (segid "    " and resid "102 " and name "HG21")
     (segid "    " and resid "102 " and name "HA  ")
 OR {11636}
     (segid "    " and resid "102 " and name "HG23")
     (segid "    " and resid "102 " and name "HA  ")
 ASSI {11637}
     (segid "    " and resid "102 " and name "HG21")
     (segid "    " and resid "102 " and name "HB  ")
      3.300     3.300     0.000 peak 11637 weight  0.10000E+01 volume -0.32430E+01 ppm1      0.868 ppm2      2.207
 OR {11637}
     (segid "    " and resid "102 " and name "HG23")
     (segid "    " and resid "102 " and name "HB  ")
 OR {11637}
     (segid "    " and resid "102 " and name "HG22")
     (segid "    " and resid "102 " and name "HB  ")
 ASSI {11638}
     (segid "    " and resid "102 " and name "HG23")
     (segid "    " and resid "132 " and name "HA  ")
      5.000     5.000     0.000 peak 11638 weight  0.10000E+01 volume -0.73200E+00 ppm1      0.860 ppm2      5.099
 OR {11638}
     (segid "    " and resid "102 " and name "HG21")
     (segid "    " and resid "132 " and name "HA  ")
 OR {11638}
     (segid "    " and resid "102 " and name "HG22")
     (segid "    " and resid "132 " and name "HA  ")
 ASSI {11639}
     (segid "    " and resid "103 " and name "HA  ")
     (segid "    " and resid "103 " and name "HB1 ")
      5.000     5.000     0.000 peak 11639 weight  0.10000E+01 volume  0.50900E+00 ppm1      5.338 ppm2      2.951
 ASSI {11640}
     (segid "    " and resid "103 " and name "HA  ")
     (segid "    " and resid "103 " and name "HB2 ")
      5.000     5.000     0.000 peak 11640 weight  0.10000E+01 volume  0.38500E+00 ppm1      5.345 ppm2      2.572
 ASSI {11643}
     (segid "    " and resid "104 " and name "HA  ")
     (segid "    " and resid "104 " and name "HB3 ")
      2.700     2.700     0.000 peak 11643 weight  0.10000E+01 volume  0.48150E+01 ppm1      4.151 ppm2      1.325
 OR {11643}
     (segid "    " and resid "104 " and name "HA  ")
     (segid "    " and resid "104 " and name "HB1 ")
 OR {11643}
     (segid "    " and resid "104 " and name "HA  ")
     (segid "    " and resid "104 " and name "HB2 ")
 ASSI {11644}
     (segid "    " and resid "104 " and name "HA  ")
     (segid "    " and resid "105 " and name "HD22")
      6.000     6.000     0.000 peak 11644 weight  0.10000E+01 volume  0.10300E+00 ppm1      4.154 ppm2      0.395
 OR {11644}
     (segid "    " and resid "104 " and name "HA  ")
     (segid "    " and resid "105 " and name "HD23")
 OR {11644}
     (segid "    " and resid "104 " and name "HA  ")
     (segid "    " and resid "105 " and name "HD21")
 ASSI {11646}
     (segid "    " and resid "104 " and name "HB2 ")
     (segid "    " and resid "101 " and name "HB1 ")
      5.000     5.000     0.000 peak 11646 weight  0.10000E+01 volume -0.34800E+00 ppm1      1.326 ppm2      2.781
 OR {11646}
     (segid "    " and resid "104 " and name "HB1 ")
     (segid "    " and resid "101 " and name "HB1 ")
 OR {11646}
     (segid "    " and resid "104 " and name "HB3 ")
     (segid "    " and resid "101 " and name "HB1 ")
 ASSI {11647}
     (segid "    " and resid "104 " and name "HB3 ")
     (segid "    " and resid "101 " and name "HB2 ")
      5.000     5.000     0.000 peak 11647 weight  0.10000E+01 volume -0.34900E+00 ppm1      1.326 ppm2      2.665
 OR {11647}
     (segid "    " and resid "104 " and name "HB2 ")
     (segid "    " and resid "101 " and name "HB2 ")
 OR {11647}
     (segid "    " and resid "104 " and name "HB1 ")
     (segid "    " and resid "101 " and name "HB2 ")
 ASSI {11649}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "105 " and name "HB1 ")
      5.000     5.000     0.000 peak 11649 weight  0.10000E+01 volume  0.74200E+00 ppm1      4.935 ppm2      1.822
 ASSI {11650}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "105 " and name "HB2 ")
      5.000     5.000     0.000 peak 11650 weight  0.10000E+01 volume  0.88500E+00 ppm1      4.938 ppm2      1.295
 ASSI {11651}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "105 " and name "HD13")
      5.000     5.000     0.000 peak 11651 weight  0.10000E+01 volume  0.64100E+00 ppm1      4.932 ppm2      0.843
 OR {11651}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "105 " and name "HD11")
 OR {11651}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "105 " and name "HD12")
 ASSI {11652}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "105 " and name "HD21")
      3.300     3.300     0.000 peak 11652 weight  0.10000E+01 volume  0.23820E+01 ppm1      4.937 ppm2      0.391
 OR {11652}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "105 " and name "HD23")
 OR {11652}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "105 " and name "HD22")
 ASSI {11653}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "105 " and name "HG  ")
      5.000     5.000     0.000 peak 11653 weight  0.10000E+01 volume  0.49100E+00 ppm1      4.939 ppm2      1.651
 ASSI {11656}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "105 " and name "HB1 ")
      5.000     5.000     0.000 peak 11656 weight  0.10000E+01 volume  0.13490E+01 ppm1      1.283 ppm2      1.808
 ASSI {11659}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "105 " and name "HD11")
      6.000     6.000     0.000 peak 11659 weight  0.10000E+01 volume -0.19700E+00 ppm1      1.276 ppm2      0.836
 OR {11659}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "105 " and name "HD13")
 OR {11659}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "105 " and name "HD12")
 ASSI {11660}
     (segid "    " and resid "105 " and name "HB1 ")
     (segid "    " and resid "105 " and name "HD23")
      5.000     5.000     0.000 peak 11660 weight  0.10000E+01 volume  0.52000E+00 ppm1      1.815 ppm2      0.391
 OR {11660}
     (segid "    " and resid "105 " and name "HB1 ")
     (segid "    " and resid "105 " and name "HD21")
 OR {11660}
     (segid "    " and resid "105 " and name "HB1 ")
     (segid "    " and resid "105 " and name "HD22")
 ASSI {11661}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "105 " and name "HD21")
      5.000     5.000     0.000 peak 11661 weight  0.10000E+01 volume  0.48000E+00 ppm1      1.282 ppm2      0.388
 OR {11661}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "105 " and name "HD23")
 OR {11661}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "105 " and name "HD22")
 ASSI {11662}
     (segid "    " and resid "105 " and name "HB1 ")
     (segid "    " and resid "105 " and name "HG  ")
      6.000     6.000     0.000 peak 11662 weight  0.10000E+01 volume  0.19200E+00 ppm1      1.821 ppm2      1.649
 ASSI {11663}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "105 " and name "HG  ")
      6.000     6.000     0.000 peak 11663 weight  0.10000E+01 volume -0.80000E-01 ppm1      1.283 ppm2      1.637
 ASSI {11665}
     (segid "    " and resid "105 " and name "HD12")
     (segid "    " and resid "105 " and name "HB1 ")
      2.700     2.700     0.000 peak 11665 weight  0.10000E+01 volume -0.73730E+01 ppm1      0.840 ppm2      1.829
 OR {11665}
     (segid "    " and resid "105 " and name "HD13")
     (segid "    " and resid "105 " and name "HB1 ")
 OR {11665}
     (segid "    " and resid "105 " and name "HD11")
     (segid "    " and resid "105 " and name "HB1 ")
 ASSI {11666}
     (segid "    " and resid "105 " and name "HD11")
     (segid "    " and resid "105 " and name "HD21")
      3.300     3.300     0.000 peak 11666 weight  0.10000E+01 volume -0.27640E+01 ppm1      0.846 ppm2      0.393
 OR {11666}
     (segid "    " and resid "105 " and name "HD11")
     (segid "    " and resid "105 " and name "HD22")
 OR {11666}
     (segid "    " and resid "105 " and name "HD12")
     (segid "    " and resid "105 " and name "HD22")
 OR {11666}
     (segid "    " and resid "105 " and name "HD11")
     (segid "    " and resid "105 " and name "HD23")
 OR {11666}
     (segid "    " and resid "105 " and name "HD13")
     (segid "    " and resid "105 " and name "HD21")
 OR {11666}
     (segid "    " and resid "105 " and name "HD12")
     (segid "    " and resid "105 " and name "HD23")
 OR {11666}
     (segid "    " and resid "105 " and name "HD12")
     (segid "    " and resid "105 " and name "HD21")
 OR {11666}
     (segid "    " and resid "105 " and name "HD13")
     (segid "    " and resid "105 " and name "HD22")
 OR {11666}
     (segid "    " and resid "105 " and name "HD13")
     (segid "    " and resid "105 " and name "HD23")
 ASSI {11667}
     (segid "    " and resid "105 " and name "HD13")
     (segid "    " and resid "105 " and name "HG  ")
      2.700     2.700     0.000 peak 11667 weight  0.10000E+01 volume -0.56200E+01 ppm1      0.842 ppm2      1.664
 OR {11667}
     (segid "    " and resid "105 " and name "HD11")
     (segid "    " and resid "105 " and name "HG  ")
 OR {11667}
     (segid "    " and resid "105 " and name "HD12")
     (segid "    " and resid "105 " and name "HG  ")
 ASSI {11673}
     (segid "    " and resid "105 " and name "HD21")
     (segid "    " and resid "105 " and name "HG  ")
      5.000     5.000     0.000 peak 11673 weight  0.10000E+01 volume -0.16610E+01 ppm1      0.392 ppm2      1.653
 OR {11673}
     (segid "    " and resid "105 " and name "HD22")
     (segid "    " and resid "105 " and name "HG  ")
 OR {11673}
     (segid "    " and resid "105 " and name "HD23")
     (segid "    " and resid "105 " and name "HG  ")
 ASSI {11674}
     (segid "    " and resid "105 " and name "HD23")
     (segid "    " and resid "109 " and name "HA1 ")
      6.000     6.000     0.000 peak 11674 weight  0.10000E+01 volume -0.19100E+00 ppm1      0.392 ppm2      4.300
 OR {11674}
     (segid "    " and resid "105 " and name "HD21")
     (segid "    " and resid "109 " and name "HA1 ")
 OR {11674}
     (segid "    " and resid "105 " and name "HD22")
     (segid "    " and resid "109 " and name "HA1 ")
 ASSI {11675}
     (segid "    " and resid "105 " and name "HD21")
     (segid "    " and resid "109 " and name "HA2 ")
      6.000     6.000     0.000 peak 11675 weight  0.10000E+01 volume -0.13200E+00 ppm1      0.392 ppm2      3.808
 OR {11675}
     (segid "    " and resid "105 " and name "HD23")
     (segid "    " and resid "109 " and name "HA2 ")
 OR {11675}
     (segid "    " and resid "105 " and name "HD22")
     (segid "    " and resid "109 " and name "HA2 ")
 ASSI {11676}
     (segid "    " and resid "105 " and name "HD23")
     (segid "    " and resid "111 " and name "HA  ")
      6.000     6.000     0.000 peak 11676 weight  0.10000E+01 volume -0.29300E+00 ppm1      0.392 ppm2      5.293
 OR {11676}
     (segid "    " and resid "105 " and name "HD21")
     (segid "    " and resid "111 " and name "HA  ")
 OR {11676}
     (segid "    " and resid "105 " and name "HD22")
     (segid "    " and resid "111 " and name "HA  ")
 ASSI {11678}
     (segid "    " and resid "105 " and name "HD21")
     (segid "    " and resid "111 " and name "HG  ")
      5.000     5.000     0.000 peak 11678 weight  0.10000E+01 volume -0.54500E+00 ppm1      0.392 ppm2      1.967
 OR {11678}
     (segid "    " and resid "105 " and name "HD22")
     (segid "    " and resid "111 " and name "HG  ")
 OR {11678}
     (segid "    " and resid "105 " and name "HD23")
     (segid "    " and resid "111 " and name "HG  ")
 ASSI {11679}
     (segid "    " and resid "105 " and name "HD22")
     (segid "    " and resid "136 " and name "HD2 ")
      6.000     6.000     0.000 peak 11679 weight  0.10000E+01 volume -0.19800E+00 ppm1      0.392 ppm2      6.744
 OR {11679}
     (segid "    " and resid "105 " and name "HD21")
     (segid "    " and resid "136 " and name "HD2 ")
 OR {11679}
     (segid "    " and resid "105 " and name "HD23")
     (segid "    " and resid "136 " and name "HD2 ")
 ASSI {11682}
     (segid "    " and resid "106 " and name "HA  ")
     (segid "    " and resid "106 " and name "HB1 ")
      5.000     5.000     0.000 peak 11682 weight  0.10000E+01 volume  0.94700E+00 ppm1      4.927 ppm2      2.899
 ASSI {11683}
     (segid "    " and resid "106 " and name "HA  ")
     (segid "    " and resid "106 " and name "HB2 ")
      5.000     5.000     0.000 peak 11683 weight  0.10000E+01 volume  0.99200E+00 ppm1      4.910 ppm2      1.363
 ASSI {11686}
     (segid "    " and resid "106 " and name "HB2 ")
     (segid "    " and resid "106 " and name "HB1 ")
      5.000     5.000     0.000 peak 11686 weight  0.10000E+01 volume  0.96100E+00 ppm1      1.369 ppm2      2.885
 ASSI {11688}
     (segid "    " and resid "107 " and name "HA  ")
     (segid "    " and resid "107 " and name "HB2 ")
      2.700     2.700     0.000 peak 11688 weight  0.10000E+01 volume -0.79930E+01 ppm1      4.288 ppm2      4.021
 OR {11688}
     (segid "    " and resid "107 " and name "HA  ")
     (segid "    " and resid "107 " and name "HB1 ")
 ASSI {11690}
     (segid "    " and resid "108 " and name "HA  ")
     (segid "    " and resid "108 " and name "HG21")
      3.300     3.300     0.000 peak 11690 weight  0.10000E+01 volume -0.30370E+01 ppm1      4.622 ppm2      1.151
 OR {11690}
     (segid "    " and resid "108 " and name "HA  ")
     (segid "    " and resid "108 " and name "HG23")
 OR {11690}
     (segid "    " and resid "108 " and name "HA  ")
     (segid "    " and resid "108 " and name "HG22")
 ASSI {11691}
     (segid "    " and resid "108 " and name "HB  ")
     (segid "    " and resid "108 " and name "HG21")
      3.300     3.300     0.000 peak 11691 weight  0.10000E+01 volume -0.33770E+01 ppm1      4.555 ppm2      1.145
 OR {11691}
     (segid "    " and resid "108 " and name "HB  ")
     (segid "    " and resid "108 " and name "HG22")
 OR {11691}
     (segid "    " and resid "108 " and name "HB  ")
     (segid "    " and resid "108 " and name "HG23")
 ASSI {11694}
     (segid "    " and resid "109 " and name "HA2 ")
     (segid "    " and resid "109 " and name "HA1 ")
      3.300     3.300     0.000 peak 11694 weight  0.10000E+01 volume  0.23930E+01 ppm1      3.803 ppm2      4.315
 ASSI {11696}
     (segid "    " and resid "110 " and name "HA  ")
     (segid "    " and resid "110 " and name "HB2 ")
      5.000     5.000     0.000 peak 11696 weight  0.10000E+01 volume -0.14420E+01 ppm1      4.075 ppm2      3.701
 ASSI {11698}
     (segid "    " and resid "111 " and name "HA  ")
     (segid "    " and resid "111 " and name "HB1 ")
      6.000     6.000     0.000 peak 11698 weight  0.10000E+01 volume  0.12300E+00 ppm1      5.284 ppm2      2.438
 ASSI {11699}
     (segid "    " and resid "111 " and name "HA  ")
     (segid "    " and resid "111 " and name "HB2 ")
      5.000     5.000     0.000 peak 11699 weight  0.10000E+01 volume  0.42600E+00 ppm1      5.284 ppm2      1.965
 ASSI {11703}
     (segid "    " and resid "111 " and name "HB2 ")
     (segid "    " and resid "111 " and name "HB1 ")
      5.000     5.000     0.000 peak 11703 weight  0.10000E+01 volume  0.41400E+00 ppm1      1.992 ppm2      2.445
 ASSI {11704}
     (segid "    " and resid "111 " and name "HB1 ")
     (segid "    " and resid "111 " and name "HD12")
      5.000     5.000     0.000 peak 11704 weight  0.10000E+01 volume  0.43900E+00 ppm1      2.446 ppm2      1.188
 OR {11704}
     (segid "    " and resid "111 " and name "HB1 ")
     (segid "    " and resid "111 " and name "HD13")
 OR {11704}
     (segid "    " and resid "111 " and name "HB1 ")
     (segid "    " and resid "111 " and name "HD11")
 ASSI {11705}
     (segid "    " and resid "111 " and name "HB1 ")
     (segid "    " and resid "111 " and name "HD23")
      6.000     6.000     0.000 peak 11705 weight  0.10000E+01 volume  0.29200E+00 ppm1      2.436 ppm2      0.956
 OR {11705}
     (segid "    " and resid "111 " and name "HB1 ")
     (segid "    " and resid "111 " and name "HD22")
 OR {11705}
     (segid "    " and resid "111 " and name "HB1 ")
     (segid "    " and resid "111 " and name "HD21")
 ASSI {11707}
     (segid "    " and resid "111 " and name "HD12")
     (segid "    " and resid "105 " and name "HD22")
      6.000     6.000     0.000 peak 11707 weight  0.10000E+01 volume -0.26100E+00 ppm1      1.193 ppm2      0.392
 OR {11707}
     (segid "    " and resid "111 " and name "HD12")
     (segid "    " and resid "105 " and name "HD21")
 OR {11707}
     (segid "    " and resid "111 " and name "HD11")
     (segid "    " and resid "105 " and name "HD21")
 OR {11707}
     (segid "    " and resid "111 " and name "HD12")
     (segid "    " and resid "105 " and name "HD23")
 OR {11707}
     (segid "    " and resid "111 " and name "HD11")
     (segid "    " and resid "105 " and name "HD23")
 OR {11707}
     (segid "    " and resid "111 " and name "HD11")
     (segid "    " and resid "105 " and name "HD22")
 OR {11707}
     (segid "    " and resid "111 " and name "HD13")
     (segid "    " and resid "105 " and name "HD21")
 OR {11707}
     (segid "    " and resid "111 " and name "HD13")
     (segid "    " and resid "105 " and name "HD22")
 OR {11707}
     (segid "    " and resid "111 " and name "HD13")
     (segid "    " and resid "105 " and name "HD23")
 ASSI {11709}
     (segid "    " and resid "111 " and name "HD11")
     (segid "    " and resid "136 " and name "HD2 ")
      6.000     6.000     0.000 peak 11709 weight  0.10000E+01 volume -0.27000E+00 ppm1      1.193 ppm2      6.744
 OR {11709}
     (segid "    " and resid "111 " and name "HD13")
     (segid "    " and resid "136 " and name "HD2 ")
 OR {11709}
     (segid "    " and resid "111 " and name "HD12")
     (segid "    " and resid "136 " and name "HD2 ")
 ASSI {11710}
     (segid "    " and resid "111 " and name "HD23")
     (segid "    " and resid "105 " and name "HD22")
      3.300     3.300     0.000 peak 11710 weight  0.10000E+01 volume -0.28530E+01 ppm1      0.964 ppm2      0.397
 OR {11710}
     (segid "    " and resid "111 " and name "HD21")
     (segid "    " and resid "105 " and name "HD23")
 OR {11710}
     (segid "    " and resid "111 " and name "HD21")
     (segid "    " and resid "105 " and name "HD21")
 OR {11710}
     (segid "    " and resid "111 " and name "HD22")
     (segid "    " and resid "105 " and name "HD21")
 OR {11710}
     (segid "    " and resid "111 " and name "HD23")
     (segid "    " and resid "105 " and name "HD23")
 OR {11710}
     (segid "    " and resid "111 " and name "HD22")
     (segid "    " and resid "105 " and name "HD22")
 OR {11710}
     (segid "    " and resid "111 " and name "HD21")
     (segid "    " and resid "105 " and name "HD22")
 OR {11710}
     (segid "    " and resid "111 " and name "HD22")
     (segid "    " and resid "105 " and name "HD23")
 OR {11710}
     (segid "    " and resid "111 " and name "HD23")
     (segid "    " and resid "105 " and name "HD21")
 ASSI {11711}
     (segid "    " and resid "111 " and name "HD21")
     (segid "    " and resid "111 " and name "HA  ")
      3.300     3.300     0.000 peak 11711 weight  0.10000E+01 volume -0.27880E+01 ppm1      0.963 ppm2      5.276
 OR {11711}
     (segid "    " and resid "111 " and name "HD22")
     (segid "    " and resid "111 " and name "HA  ")
 OR {11711}
     (segid "    " and resid "111 " and name "HD23")
     (segid "    " and resid "111 " and name "HA  ")
 ASSI {11712}
     (segid "    " and resid "111 " and name "HD21")
     (segid "    " and resid "111 " and name "HD13")
      2.700     2.700     0.000 peak 11712 weight  0.10000E+01 volume -0.95100E+01 ppm1      0.961 ppm2      1.193
 OR {11712}
     (segid "    " and resid "111 " and name "HD21")
     (segid "    " and resid "111 " and name "HD12")
 OR {11712}
     (segid "    " and resid "111 " and name "HD21")
     (segid "    " and resid "111 " and name "HD11")
 OR {11712}
     (segid "    " and resid "111 " and name "HD23")
     (segid "    " and resid "111 " and name "HD13")
 OR {11712}
     (segid "    " and resid "111 " and name "HD22")
     (segid "    " and resid "111 " and name "HD12")
 OR {11712}
     (segid "    " and resid "111 " and name "HD23")
     (segid "    " and resid "111 " and name "HD12")
 OR {11712}
     (segid "    " and resid "111 " and name "HD22")
     (segid "    " and resid "111 " and name "HD13")
 OR {11712}
     (segid "    " and resid "111 " and name "HD23")
     (segid "    " and resid "111 " and name "HD11")
 OR {11712}
     (segid "    " and resid "111 " and name "HD22")
     (segid "    " and resid "111 " and name "HD11")
 ASSI {11713}
     (segid "    " and resid "111 " and name "HD22")
     (segid "    " and resid "114 " and name "HE1 ")
      6.000     6.000     0.000 peak 11713 weight  0.10000E+01 volume -0.24900E+00 ppm1      0.964 ppm2      7.823
 OR {11713}
     (segid "    " and resid "111 " and name "HD21")
     (segid "    " and resid "114 " and name "HE1 ")
 OR {11713}
     (segid "    " and resid "111 " and name "HD23")
     (segid "    " and resid "114 " and name "HE1 ")
 ASSI {11714}
     (segid "    " and resid "111 " and name "HD21")
     (segid "    " and resid "136 " and name "HD2 ")
      6.000     6.000     0.000 peak 11714 weight  0.10000E+01 volume -0.29800E+00 ppm1      0.971 ppm2      6.744
 OR {11714}
     (segid "    " and resid "111 " and name "HD23")
     (segid "    " and resid "136 " and name "HD2 ")
 OR {11714}
     (segid "    " and resid "111 " and name "HD22")
     (segid "    " and resid "136 " and name "HD2 ")
 ASSI {11716}
     (segid "    " and resid "111 " and name "HG  ")
     (segid "    " and resid "111 " and name "HA  ")
      6.000     6.000     0.000 peak 11716 weight  0.10000E+01 volume -0.13300E+00 ppm1      1.967 ppm2      5.302
 ASSI {11717}
     (segid "    " and resid "111 " and name "HG  ")
     (segid "    " and resid "111 " and name "HD11")
      5.000     5.000     0.000 peak 11717 weight  0.10000E+01 volume -0.16190E+01 ppm1      1.967 ppm2      1.193
 OR {11717}
     (segid "    " and resid "111 " and name "HG  ")
     (segid "    " and resid "111 " and name "HD13")
 OR {11717}
     (segid "    " and resid "111 " and name "HG  ")
     (segid "    " and resid "111 " and name "HD12")
 ASSI {11718}
     (segid "    " and resid "111 " and name "HG  ")
     (segid "    " and resid "114 " and name "HE1 ")
      6.000     6.000     0.000 peak 11718 weight  0.10000E+01 volume -0.13200E+00 ppm1      1.967 ppm2      7.836
 ASSI {11719}
     (segid "    " and resid "111 " and name "HG  ")
     (segid "    " and resid "136 " and name "HD2 ")
      6.000     6.000     0.000 peak 11719 weight  0.10000E+01 volume -0.22700E+00 ppm1      1.971 ppm2      6.745
 ASSI {11720}
     (segid "    " and resid "112 " and name "HA  ")
     (segid "    " and resid "81  " and name "HD2 ")
      5.000     5.000     0.000 peak 11720 weight  0.10000E+01 volume -0.62300E+00 ppm1      4.134 ppm2      6.515
 ASSI {11722}
     (segid "    " and resid "112 " and name "HB1 ")
     (segid "    " and resid "112 " and name "HA  ")
      3.300     3.300     0.000 peak 11722 weight  0.10000E+01 volume -0.24190E+01 ppm1      1.993 ppm2      4.128
 ASSI {11723}
     (segid "    " and resid "112 " and name "HD2 ")
     (segid "    " and resid "112 " and name "HD1 ")
      5.000     5.000     0.000 peak 11723 weight  0.10000E+01 volume  0.46300E+00 ppm1      3.964 ppm2      4.289
 ASSI {11726}
     (segid "    " and resid "113 " and name "HA  ")
     (segid "    " and resid "113 " and name "HB  ")
      5.000     5.000     0.000 peak 11726 weight  0.10000E+01 volume -0.12880E+01 ppm1      3.835 ppm2      1.735
 ASSI {11729}
     (segid "    " and resid "113 " and name "HB  ")
     (segid "    " and resid "113 " and name "HG11")
      5.000     5.000     0.000 peak 11729 weight  0.10000E+01 volume  0.73900E+00 ppm1      1.734 ppm2      1.455
 ASSI {11730}
     (segid "    " and resid "113 " and name "HB  ")
     (segid "    " and resid "113 " and name "HG12")
      5.000     5.000     0.000 peak 11730 weight  0.10000E+01 volume  0.55700E+00 ppm1      1.735 ppm2      1.354
 ASSI {11731}
     (segid "    " and resid "113 " and name "HD13")
     (segid "    " and resid "113 " and name "HA  ")
      5.000     5.000     0.000 peak 11731 weight  0.10000E+01 volume -0.16650E+01 ppm1      0.739 ppm2      3.846
 OR {11731}
     (segid "    " and resid "113 " and name "HD12")
     (segid "    " and resid "113 " and name "HA  ")
 OR {11731}
     (segid "    " and resid "113 " and name "HD11")
     (segid "    " and resid "113 " and name "HA  ")
 ASSI {11732}
     (segid "    " and resid "113 " and name "HD13")
     (segid "    " and resid "113 " and name "HB  ")
      3.300     3.300     0.000 peak 11732 weight  0.10000E+01 volume -0.25800E+01 ppm1      0.741 ppm2      1.739
 OR {11732}
     (segid "    " and resid "113 " and name "HD12")
     (segid "    " and resid "113 " and name "HB  ")
 OR {11732}
     (segid "    " and resid "113 " and name "HD11")
     (segid "    " and resid "113 " and name "HB  ")
 ASSI {11733}
     (segid "    " and resid "113 " and name "HD11")
     (segid "    " and resid "113 " and name "HG11")
      5.000     5.000     0.000 peak 11733 weight  0.10000E+01 volume -0.19240E+01 ppm1      0.744 ppm2      1.446
 OR {11733}
     (segid "    " and resid "113 " and name "HD13")
     (segid "    " and resid "113 " and name "HG11")
 OR {11733}
     (segid "    " and resid "113 " and name "HD12")
     (segid "    " and resid "113 " and name "HG11")
 ASSI {11734}
     (segid "    " and resid "113 " and name "HD12")
     (segid "    " and resid "113 " and name "HG12")
      5.000     5.000     0.000 peak 11734 weight  0.10000E+01 volume -0.16370E+01 ppm1      0.741 ppm2      1.335
 OR {11734}
     (segid "    " and resid "113 " and name "HD11")
     (segid "    " and resid "113 " and name "HG12")
 OR {11734}
     (segid "    " and resid "113 " and name "HD13")
     (segid "    " and resid "113 " and name "HG12")
 ASSI {11737}
     (segid "    " and resid "113 " and name "HG11")
     (segid "    " and resid "113 " and name "HA  ")
      5.000     5.000     0.000 peak 11737 weight  0.10000E+01 volume -0.44000E+00 ppm1      1.439 ppm2      3.835
 ASSI {11738}
     (segid "    " and resid "113 " and name "HG12")
     (segid "    " and resid "113 " and name "HA  ")
      5.000     5.000     0.000 peak 11738 weight  0.10000E+01 volume -0.33000E+00 ppm1      1.326 ppm2      3.835
 ASSI {11739}
     (segid "    " and resid "113 " and name "HG23")
     (segid "    " and resid "113 " and name "HA  ")
      5.000     5.000     0.000 peak 11739 weight  0.10000E+01 volume -0.80000E+00 ppm1      0.739 ppm2      3.838
 OR {11739}
     (segid "    " and resid "113 " and name "HG22")
     (segid "    " and resid "113 " and name "HA  ")
 OR {11739}
     (segid "    " and resid "113 " and name "HG21")
     (segid "    " and resid "113 " and name "HA  ")
 ASSI {11740}
     (segid "    " and resid "113 " and name "HG23")
     (segid "    " and resid "113 " and name "HB  ")
      3.300     3.300     0.000 peak 11740 weight  0.10000E+01 volume -0.26640E+01 ppm1      0.750 ppm2      1.736
 OR {11740}
     (segid "    " and resid "113 " and name "HG21")
     (segid "    " and resid "113 " and name "HB  ")
 OR {11740}
     (segid "    " and resid "113 " and name "HG22")
     (segid "    " and resid "113 " and name "HB  ")
 ASSI {11741}
     (segid "    " and resid "113 " and name "HG23")
     (segid "    " and resid "113 " and name "HG12")
      5.000     5.000     0.000 peak 11741 weight  0.10000E+01 volume -0.91800E+00 ppm1      0.739 ppm2      1.326
 OR {11741}
     (segid "    " and resid "113 " and name "HG21")
     (segid "    " and resid "113 " and name "HG12")
 OR {11741}
     (segid "    " and resid "113 " and name "HG22")
     (segid "    " and resid "113 " and name "HG12")
 ASSI {11742}
     (segid "    " and resid "114 " and name "HA  ")
     (segid "    " and resid "114 " and name "HB1 ")
      5.000     5.000     0.000 peak 11742 weight  0.10000E+01 volume -0.17020E+01 ppm1      3.976 ppm2      3.656
 ASSI {11743}
     (segid "    " and resid "114 " and name "HA  ")
     (segid "    " and resid "114 " and name "HB2 ")
      5.000     5.000     0.000 peak 11743 weight  0.10000E+01 volume -0.10750E+01 ppm1      3.978 ppm2      3.511
 ASSI {11744}
     (segid "    " and resid "114 " and name "HA  ")
     (segid "    " and resid "114 " and name "HD2 ")
      6.000     6.000     0.000 peak 11744 weight  0.10000E+01 volume -0.26000E+00 ppm1      3.968 ppm2      6.957
 ASSI {11746}
     (segid "    " and resid "114 " and name "HB2 ")
     (segid "    " and resid "114 " and name "HB1 ")
      5.000     5.000     0.000 peak 11746 weight  0.10000E+01 volume -0.43800E+00 ppm1      3.507 ppm2      3.693
 ASSI {11747}
     (segid "    " and resid "114 " and name "HB1 ")
     (segid "    " and resid "114 " and name "HD2 ")
      6.000     6.000     0.000 peak 11747 weight  0.10000E+01 volume -0.13200E+00 ppm1      3.691 ppm2      6.954
 ASSI {11748}
     (segid "    " and resid "114 " and name "HB2 ")
     (segid "    " and resid "114 " and name "HD2 ")
      6.000     6.000     0.000 peak 11748 weight  0.10000E+01 volume -0.13700E+00 ppm1      3.506 ppm2      6.958
 ASSI {11754}
     (segid "    " and resid "114 " and name "HE1 ")
     (segid "    " and resid "111 " and name "HD12")
      5.000     5.000     0.000 peak 11754 weight  0.10000E+01 volume -0.33100E+00 ppm1      7.825 ppm2      1.200
 OR {11754}
     (segid "    " and resid "114 " and name "HE1 ")
     (segid "    " and resid "111 " and name "HD11")
 OR {11754}
     (segid "    " and resid "114 " and name "HE1 ")
     (segid "    " and resid "111 " and name "HD13")
 ASSI {11756}
     (segid "    " and resid "114 " and name "HE1 ")
     (segid "    " and resid "136 " and name "HD2 ")
      5.000     5.000     0.000 peak 11756 weight  0.10000E+01 volume -0.93600E+00 ppm1      7.826 ppm2      6.742
 ASSI {11757}
     (segid "    " and resid "115 " and name "HA  ")
     (segid "    " and resid "115 " and name "HB1 ")
      5.000     5.000     0.000 peak 11757 weight  0.10000E+01 volume  0.12340E+01 ppm1      4.064 ppm2      2.210
 ASSI {11758}
     (segid "    " and resid "115 " and name "HA  ")
     (segid "    " and resid "115 " and name "HB2 ")
      5.000     5.000     0.000 peak 11758 weight  0.10000E+01 volume  0.12790E+01 ppm1      4.064 ppm2      1.384
 ASSI {11759}
     (segid "    " and resid "115 " and name "HA  ")
     (segid "    " and resid "115 " and name "HD11")
      5.000     5.000     0.000 peak 11759 weight  0.10000E+01 volume  0.78900E+00 ppm1      4.057 ppm2      1.222
 OR {11759}
     (segid "    " and resid "115 " and name "HA  ")
     (segid "    " and resid "115 " and name "HD12")
 OR {11759}
     (segid "    " and resid "115 " and name "HA  ")
     (segid "    " and resid "115 " and name "HD13")
 ASSI {11760}
     (segid "    " and resid "115 " and name "HA  ")
     (segid "    " and resid "115 " and name "HD23")
      3.300     3.300     0.000 peak 11760 weight  0.10000E+01 volume  0.33200E+01 ppm1      4.064 ppm2      0.960
 OR {11760}
     (segid "    " and resid "115 " and name "HA  ")
     (segid "    " and resid "115 " and name "HD22")
 OR {11760}
     (segid "    " and resid "115 " and name "HA  ")
     (segid "    " and resid "115 " and name "HD21")
 ASSI {11763}
     (segid "    " and resid "115 " and name "HB2 ")
     (segid "    " and resid "115 " and name "HB1 ")
      5.000     5.000     0.000 peak 11763 weight  0.10000E+01 volume  0.89800E+00 ppm1      1.395 ppm2      2.208
 ASSI {11765}
     (segid "    " and resid "115 " and name "HB2 ")
     (segid "    " and resid "115 " and name "HD12")
      5.000     5.000     0.000 peak 11765 weight  0.10000E+01 volume  0.75600E+00 ppm1      1.389 ppm2      1.229
 OR {11765}
     (segid "    " and resid "115 " and name "HB2 ")
     (segid "    " and resid "115 " and name "HD13")
 OR {11765}
     (segid "    " and resid "115 " and name "HB2 ")
     (segid "    " and resid "115 " and name "HD11")
 ASSI {11766}
     (segid "    " and resid "115 " and name "HB1 ")
     (segid "    " and resid "115 " and name "HD23")
      5.000     5.000     0.000 peak 11766 weight  0.10000E+01 volume  0.12280E+01 ppm1      2.215 ppm2      0.954
 OR {11766}
     (segid "    " and resid "115 " and name "HB1 ")
     (segid "    " and resid "115 " and name "HD21")
 OR {11766}
     (segid "    " and resid "115 " and name "HB1 ")
     (segid "    " and resid "115 " and name "HD22")
 ASSI {11767}
     (segid "    " and resid "115 " and name "HB2 ")
     (segid "    " and resid "115 " and name "HG  ")
      5.000     5.000     0.000 peak 11767 weight  0.10000E+01 volume  0.82700E+00 ppm1      1.400 ppm2      2.053
 ASSI {11770}
     (segid "    " and resid "115 " and name "HD12")
     (segid "    " and resid "115 " and name "HB1 ")
      5.000     5.000     0.000 peak 11770 weight  0.10000E+01 volume -0.10130E+01 ppm1      1.218 ppm2      2.224
 OR {11770}
     (segid "    " and resid "115 " and name "HD13")
     (segid "    " and resid "115 " and name "HB1 ")
 OR {11770}
     (segid "    " and resid "115 " and name "HD11")
     (segid "    " and resid "115 " and name "HB1 ")
 ASSI {11771}
     (segid "    " and resid "115 " and name "HD11")
     (segid "    " and resid "115 " and name "HD23")
      2.700     2.700     0.000 peak 11771 weight  0.10000E+01 volume -0.74730E+01 ppm1      1.219 ppm2      0.963
 OR {11771}
     (segid "    " and resid "115 " and name "HD11")
     (segid "    " and resid "115 " and name "HD22")
 OR {11771}
     (segid "    " and resid "115 " and name "HD11")
     (segid "    " and resid "115 " and name "HD21")
 OR {11771}
     (segid "    " and resid "115 " and name "HD12")
     (segid "    " and resid "115 " and name "HD21")
 OR {11771}
     (segid "    " and resid "115 " and name "HD13")
     (segid "    " and resid "115 " and name "HD23")
 OR {11771}
     (segid "    " and resid "115 " and name "HD12")
     (segid "    " and resid "115 " and name "HD22")
 OR {11771}
     (segid "    " and resid "115 " and name "HD13")
     (segid "    " and resid "115 " and name "HD21")
 OR {11771}
     (segid "    " and resid "115 " and name "HD12")
     (segid "    " and resid "115 " and name "HD23")
 OR {11771}
     (segid "    " and resid "115 " and name "HD13")
     (segid "    " and resid "115 " and name "HD22")
 ASSI {11773}
     (segid "    " and resid "115 " and name "HG  ")
     (segid "    " and resid "115 " and name "HD11")
      5.000     5.000     0.000 peak 11773 weight  0.10000E+01 volume -0.19790E+01 ppm1      2.021 ppm2      1.227
 OR {11773}
     (segid "    " and resid "115 " and name "HG  ")
     (segid "    " and resid "115 " and name "HD13")
 OR {11773}
     (segid "    " and resid "115 " and name "HG  ")
     (segid "    " and resid "115 " and name "HD12")
 ASSI {11774}
     (segid "    " and resid "115 " and name "HG  ")
     (segid "    " and resid "115 " and name "HD21")
      3.300     3.300     0.000 peak 11774 weight  0.10000E+01 volume -0.25700E+01 ppm1      2.024 ppm2      0.960
 OR {11774}
     (segid "    " and resid "115 " and name "HG  ")
     (segid "    " and resid "115 " and name "HD22")
 OR {11774}
     (segid "    " and resid "115 " and name "HG  ")
     (segid "    " and resid "115 " and name "HD23")
 ASSI {11775}
     (segid "    " and resid "116 " and name "HA  ")
     (segid "    " and resid "116 " and name "HB3 ")
      2.700     2.700     0.000 peak 11775 weight  0.10000E+01 volume  0.11826E+02 ppm1      4.148 ppm2      1.492
 OR {11775}
     (segid "    " and resid "116 " and name "HA  ")
     (segid "    " and resid "116 " and name "HB1 ")
 OR {11775}
     (segid "    " and resid "116 " and name "HA  ")
     (segid "    " and resid "116 " and name "HB2 ")
 ASSI {11776}
     (segid "    " and resid "116 " and name "HA  ")
     (segid "    " and resid "121 " and name "HD2 ")
      5.000     5.000     0.000 peak 11776 weight  0.10000E+01 volume  0.78500E+00 ppm1      4.153 ppm2      7.257
 ASSI {11778}
     (segid "    " and resid "116 " and name "HB3 ")
     (segid "    " and resid "121 " and name "HD2 ")
      5.000     5.000     0.000 peak 11778 weight  0.10000E+01 volume -0.43500E+00 ppm1      1.486 ppm2      7.257
 OR {11778}
     (segid "    " and resid "116 " and name "HB1 ")
     (segid "    " and resid "121 " and name "HD2 ")
 OR {11778}
     (segid "    " and resid "116 " and name "HB2 ")
     (segid "    " and resid "121 " and name "HD2 ")
 ASSI {11779}
     (segid "    " and resid "117 " and name "HA  ")
     (segid "    " and resid "117 " and name "HB  ")
      5.000     5.000     0.000 peak 11779 weight  0.10000E+01 volume -0.10420E+01 ppm1      3.514 ppm2      2.063
 ASSI {11780}
     (segid "    " and resid "117 " and name "HA  ")
     (segid "    " and resid "117 " and name "HD11")
      5.000     5.000     0.000 peak 11780 weight  0.10000E+01 volume -0.15230E+01 ppm1      3.514 ppm2      0.899
 OR {11780}
     (segid "    " and resid "117 " and name "HA  ")
     (segid "    " and resid "117 " and name "HD13")
 OR {11780}
     (segid "    " and resid "117 " and name "HA  ")
     (segid "    " and resid "117 " and name "HD12")
 ASSI {11781}
     (segid "    " and resid "117 " and name "HA  ")
     (segid "    " and resid "117 " and name "HG22")
      3.300     3.300     0.000 peak 11781 weight  0.10000E+01 volume -0.23140E+01 ppm1      3.514 ppm2      0.766
 OR {11781}
     (segid "    " and resid "117 " and name "HA  ")
     (segid "    " and resid "117 " and name "HG23")
 OR {11781}
     (segid "    " and resid "117 " and name "HA  ")
     (segid "    " and resid "117 " and name "HG21")
 ASSI {11783}
     (segid "    " and resid "117 " and name "HB  ")
     (segid "    " and resid "117 " and name "HD12")
      3.300     3.300     0.000 peak 11783 weight  0.10000E+01 volume  0.22580E+01 ppm1      2.053 ppm2      0.894
 OR {11783}
     (segid "    " and resid "117 " and name "HB  ")
     (segid "    " and resid "117 " and name "HD13")
 OR {11783}
     (segid "    " and resid "117 " and name "HB  ")
     (segid "    " and resid "117 " and name "HD11")
 ASSI {11784}
     (segid "    " and resid "117 " and name "HB  ")
     (segid "    " and resid "117 " and name "HG21")
      5.000     5.000     0.000 peak 11784 weight  0.10000E+01 volume  0.18250E+01 ppm1      2.066 ppm2      0.770
 OR {11784}
     (segid "    " and resid "117 " and name "HB  ")
     (segid "    " and resid "117 " and name "HG23")
 OR {11784}
     (segid "    " and resid "117 " and name "HB  ")
     (segid "    " and resid "117 " and name "HG22")
 ASSI {11786}
     (segid "    " and resid "117 " and name "HD12")
     (segid "    " and resid "117 " and name "HG12")
      2.700     2.700     0.000 peak 11786 weight  0.10000E+01 volume -0.14142E+02 ppm1      0.899 ppm2      0.766
 OR {11786}
     (segid "    " and resid "117 " and name "HD11")
     (segid "    " and resid "117 " and name "HG12")
 OR {11786}
     (segid "    " and resid "117 " and name "HD13")
     (segid "    " and resid "117 " and name "HG12")
 ASSI {11787}
     (segid "    " and resid "117 " and name "HG11")
     (segid "    " and resid "117 " and name "HA  ")
      5.000     5.000     0.000 peak 11787 weight  0.10000E+01 volume -0.69000E+00 ppm1      2.060 ppm2      3.497
 ASSI {11788}
     (segid "    " and resid "117 " and name "HG12")
     (segid "    " and resid "117 " and name "HA  ")
      6.000     6.000     0.000 peak 11788 weight  0.10000E+01 volume -0.23400E+00 ppm1      0.766 ppm2      3.514
 ASSI {11789}
     (segid "    " and resid "117 " and name "HG11")
     (segid "    " and resid "117 " and name "HD11")
      3.300     3.300     0.000 peak 11789 weight  0.10000E+01 volume -0.32440E+01 ppm1      2.066 ppm2      0.895
 OR {11789}
     (segid "    " and resid "117 " and name "HG11")
     (segid "    " and resid "117 " and name "HD13")
 OR {11789}
     (segid "    " and resid "117 " and name "HG11")
     (segid "    " and resid "117 " and name "HD12")
 ASSI {11791}
     (segid "    " and resid "117 " and name "HG12")
     (segid "    " and resid "117 " and name "HG11")
      5.000     5.000     0.000 peak 11791 weight  0.10000E+01 volume -0.70600E+00 ppm1      0.776 ppm2      2.064
 ASSI {11792}
     (segid "    " and resid "117 " and name "HG11")
     (segid "    " and resid "117 " and name "HG22")
      3.300     3.300     0.000 peak 11792 weight  0.10000E+01 volume -0.21300E+01 ppm1      2.070 ppm2      0.770
 OR {11792}
     (segid "    " and resid "117 " and name "HG11")
     (segid "    " and resid "117 " and name "HG21")
 OR {11792}
     (segid "    " and resid "117 " and name "HG11")
     (segid "    " and resid "117 " and name "HG23")
 ASSI {11794}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "117 " and name "HD12")
      2.700     2.700     0.000 peak 11794 weight  0.10000E+01 volume -0.63420E+01 ppm1      0.771 ppm2      0.903
 OR {11794}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "117 " and name "HD11")
 OR {11794}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "117 " and name "HD11")
 OR {11794}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "117 " and name "HD12")
 OR {11794}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "117 " and name "HD11")
 OR {11794}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "117 " and name "HD13")
 OR {11794}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "117 " and name "HD12")
 OR {11794}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "117 " and name "HD13")
 OR {11794}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "117 " and name "HD13")
 ASSI {11796}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "151 " and name "HD1 ")
      6.000     6.000     0.000 peak 11796 weight  0.10000E+01 volume -0.23800E+00 ppm1      0.776 ppm2      3.295
 OR {11796}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "151 " and name "HD1 ")
 OR {11796}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "151 " and name "HD1 ")
 ASSI {11797}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "151 " and name "HD2 ")
      5.000     5.000     0.000 peak 11797 weight  0.10000E+01 volume -0.32200E+00 ppm1      0.766 ppm2      2.981
 OR {11797}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "151 " and name "HD2 ")
 OR {11797}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "151 " and name "HD2 ")
 ASSI {11799}
     (segid "    " and resid "118 " and name "HA  ")
     (segid "    " and resid "118 " and name "HB1 ")
      3.300     3.300     0.000 peak 11799 weight  0.10000E+01 volume -0.39540E+01 ppm1      3.677 ppm2      2.057
 OR {11799}
     (segid "    " and resid "118 " and name "HA  ")
     (segid "    " and resid "118 " and name "HB2 ")
 ASSI {11800}
     (segid "    " and resid "118 " and name "HA  ")
     (segid "    " and resid "118 " and name "HD1 ")
      5.000     5.000     0.000 peak 11800 weight  0.10000E+01 volume -0.86000E+00 ppm1      3.675 ppm2      3.278
 ASSI {11801}
     (segid "    " and resid "118 " and name "HA  ")
     (segid "    " and resid "118 " and name "HD2 ")
      5.000     5.000     0.000 peak 11801 weight  0.10000E+01 volume -0.59100E+00 ppm1      3.680 ppm2      3.225
 ASSI {11802}
     (segid "    " and resid "118 " and name "HA  ")
     (segid "    " and resid "118 " and name "HG2 ")
      5.000     5.000     0.000 peak 11802 weight  0.10000E+01 volume -0.13670E+01 ppm1      3.675 ppm2      1.620
 ASSI {11803}
     (segid "    " and resid "118 " and name "HA  ")
     (segid "    " and resid "151 " and name "HD2 ")
      5.000     5.000     0.000 peak 11803 weight  0.10000E+01 volume -0.46600E+00 ppm1      3.675 ppm2      2.988
 ASSI {11805}
     (segid "    " and resid "118 " and name "HG1 ")
     (segid "    " and resid "118 " and name "HA  ")
      5.000     5.000     0.000 peak 11805 weight  0.10000E+01 volume -0.83200E+00 ppm1      1.915 ppm2      3.676
 ASSI {11807}
     (segid "    " and resid "118 " and name "HG2 ")
     (segid "    " and resid "118 " and name "HB1 ")
      3.300     3.300     0.000 peak 11807 weight  0.10000E+01 volume -0.25660E+01 ppm1      1.620 ppm2      2.064
 OR {11807}
     (segid "    " and resid "118 " and name "HG2 ")
     (segid "    " and resid "118 " and name "HB2 ")
 ASSI {11808}
     (segid "    " and resid "118 " and name "HG2 ")
     (segid "    " and resid "118 " and name "HG1 ")
      2.700     2.700     0.000 peak 11808 weight  0.10000E+01 volume -0.49140E+01 ppm1      1.620 ppm2      1.914
 ASSI {11810}
     (segid "    " and resid "119 " and name "HA  ")
     (segid "    " and resid "119 " and name "HG1 ")
      5.000     5.000     0.000 peak 11810 weight  0.10000E+01 volume  0.60100E+00 ppm1      4.263 ppm2      2.965
 ASSI {11811}
     (segid "    " and resid "119 " and name "HA  ")
     (segid "    " and resid "119 " and name "HG2 ")
      5.000     5.000     0.000 peak 11811 weight  0.10000E+01 volume  0.79400E+00 ppm1      4.259 ppm2      2.422
 ASSI {11812}
     (segid "    " and resid "119 " and name "HB2 ")
     (segid "    " and resid "119 " and name "HA  ")
      5.000     5.000     0.000 peak 11812 weight  0.10000E+01 volume -0.45700E+00 ppm1      1.576 ppm2      4.262
 ASSI {11813}
     (segid "    " and resid "119 " and name "HB2 ")
     (segid "    " and resid "119 " and name "HB1 ")
      5.000     5.000     0.000 peak 11813 weight  0.10000E+01 volume -0.18510E+01 ppm1      1.562 ppm2      2.067
 ASSI {11814}
     (segid "    " and resid "119 " and name "HB1 ")
     (segid "    " and resid "119 " and name "HG1 ")
      5.000     5.000     0.000 peak 11814 weight  0.10000E+01 volume -0.11540E+01 ppm1      2.062 ppm2      2.981
 ASSI {11815}
     (segid "    " and resid "119 " and name "HB2 ")
     (segid "    " and resid "119 " and name "HG2 ")
      5.000     5.000     0.000 peak 11815 weight  0.10000E+01 volume -0.46000E+00 ppm1      1.566 ppm2      2.420
 ASSI {11819}
     (segid "    " and resid "119 " and name "HG1 ")
     (segid "    " and resid "119 " and name "HB2 ")
      5.000     5.000     0.000 peak 11819 weight  0.10000E+01 volume  0.45300E+00 ppm1      2.964 ppm2      1.556
 ASSI {11821}
     (segid "    " and resid "119 " and name "HG2 ")
     (segid "    " and resid "119 " and name "HG1 ")
      5.000     5.000     0.000 peak 11821 weight  0.10000E+01 volume  0.93000E+00 ppm1      2.424 ppm2      2.960
 ASSI {11823}
     (segid "    " and resid "120 " and name "HA2 ")
     (segid "    " and resid "120 " and name "HA1 ")
      3.300     3.300     0.000 peak 11823 weight  0.10000E+01 volume  0.21450E+01 ppm1      3.535 ppm2      4.024
 ASSI {11825}
     (segid "    " and resid "121 " and name "HA  ")
     (segid "    " and resid "121 " and name "HB1 ")
      5.000     5.000     0.000 peak 11825 weight  0.10000E+01 volume  0.10690E+01 ppm1      5.225 ppm2      3.148
 ASSI {11826}
     (segid "    " and resid "121 " and name "HA  ")
     (segid "    " and resid "121 " and name "HB2 ")
      5.000     5.000     0.000 peak 11826 weight  0.10000E+01 volume  0.87300E+00 ppm1      5.223 ppm2      3.015
 ASSI {11827}
     (segid "    " and resid "121 " and name "HA  ")
     (segid "    " and resid "121 " and name "HD2 ")
      6.000     6.000     0.000 peak 11827 weight  0.10000E+01 volume  0.39000E-01 ppm1      5.224 ppm2      7.258
 ASSI {11833}
     (segid "    " and resid "121 " and name "HD2 ")
     (segid "    " and resid "121 " and name "HB1 ")
      6.000     6.000     0.000 peak 11833 weight  0.10000E+01 volume -0.17300E+00 ppm1      7.263 ppm2      3.148
 ASSI {11834}
     (segid "    " and resid "121 " and name "HD2 ")
     (segid "    " and resid "121 " and name "HB2 ")
      5.000     5.000     0.000 peak 11834 weight  0.10000E+01 volume -0.31700E+00 ppm1      7.266 ppm2      3.010
 ASSI {11835}
     (segid "    " and resid "124 " and name "HA  ")
     (segid "    " and resid "124 " and name "HB  ")
      5.000     5.000     0.000 peak 11835 weight  0.10000E+01 volume -0.48700E+00 ppm1      3.755 ppm2      2.394
 ASSI {11836}
     (segid "    " and resid "124 " and name "HA  ")
     (segid "    " and resid "124 " and name "HG22")
      2.700     2.700     0.000 peak 11836 weight  0.10000E+01 volume -0.56720E+01 ppm1      3.755 ppm2      0.956
 OR {11836}
     (segid "    " and resid "124 " and name "HA  ")
     (segid "    " and resid "124 " and name "HG23")
 OR {11836}
     (segid "    " and resid "124 " and name "HA  ")
     (segid "    " and resid "124 " and name "HG21")
 OR {11836}
     (segid "    " and resid "124 " and name "HA  ")
     (segid "    " and resid "124 " and name "HG12")
 OR {11836}
     (segid "    " and resid "124 " and name "HA  ")
     (segid "    " and resid "124 " and name "HG13")
 OR {11836}
     (segid "    " and resid "124 " and name "HA  ")
     (segid "    " and resid "124 " and name "HG11")
 ASSI {11837}
     (segid "    " and resid "125 " and name "HA  ")
     (segid "    " and resid "125 " and name "HB  ")
      5.000     5.000     0.000 peak 11837 weight  0.10000E+01 volume -0.66100E+00 ppm1      3.367 ppm2      2.244
 ASSI {11839}
     (segid "    " and resid "127 " and name "HA  ")
     (segid "    " and resid "127 " and name "HB1 ")
      5.000     5.000     0.000 peak 11839 weight  0.10000E+01 volume -0.15550E+01 ppm1      4.300 ppm2      3.407
 ASSI {11840}
     (segid "    " and resid "127 " and name "HA  ")
     (segid "    " and resid "127 " and name "HB2 ")
      5.000     5.000     0.000 peak 11840 weight  0.10000E+01 volume -0.11950E+01 ppm1      4.303 ppm2      2.942
 ASSI {11841}
     (segid "    " and resid "127 " and name "HA  ")
     (segid "    " and resid "127 " and name "HD2 ")
      5.000     5.000     0.000 peak 11841 weight  0.10000E+01 volume -0.16400E+01 ppm1      4.302 ppm2      7.128
 OR {11841}
     (segid "    " and resid "127 " and name "HA  ")
     (segid "    " and resid "127 " and name "HD1 ")
 ASSI {11846}
     (segid "    " and resid "127 " and name "HB2 ")
     (segid "    " and resid "127 " and name "HB1 ")
      5.000     5.000     0.000 peak 11846 weight  0.10000E+01 volume  0.82200E+00 ppm1      2.943 ppm2      3.418
 ASSI {11848}
     (segid "    " and resid "127 " and name "HB1 ")
     (segid "    " and resid "127 " and name "HD2 ")
      5.000     5.000     0.000 peak 11848 weight  0.10000E+01 volume  0.54100E+00 ppm1      3.413 ppm2      7.129
 OR {11848}
     (segid "    " and resid "127 " and name "HB1 ")
     (segid "    " and resid "127 " and name "HD1 ")
 ASSI {11849}
     (segid "    " and resid "127 " and name "HB2 ")
     (segid "    " and resid "127 " and name "HD2 ")
      5.000     5.000     0.000 peak 11849 weight  0.10000E+01 volume  0.47900E+00 ppm1      2.949 ppm2      7.128
 OR {11849}
     (segid "    " and resid "127 " and name "HB2 ")
     (segid "    " and resid "127 " and name "HD1 ")
 ASSI {11851}
     (segid "    " and resid "127 " and name "HD1 ")
     (segid "    " and resid "92  " and name "HD13")
      5.000     5.000     0.000 peak 11851 weight  0.10000E+01 volume -0.97000E+00 ppm1      7.130 ppm2      0.952
 OR {11851}
     (segid "    " and resid "127 " and name "HD2 ")
     (segid "    " and resid "92  " and name "HD11")
 OR {11851}
     (segid "    " and resid "127 " and name "HD2 ")
     (segid "    " and resid "92  " and name "HD13")
 OR {11851}
     (segid "    " and resid "127 " and name "HD2 ")
     (segid "    " and resid "92  " and name "HD12")
 OR {11851}
     (segid "    " and resid "127 " and name "HD1 ")
     (segid "    " and resid "92  " and name "HD11")
 OR {11851}
     (segid "    " and resid "127 " and name "HD1 ")
     (segid "    " and resid "92  " and name "HD12")
 ASSI {11852}
     (segid "    " and resid "127 " and name "HD2 ")
     (segid "    " and resid "96  " and name "HG11")
      6.000     6.000     0.000 peak 11852 weight  0.10000E+01 volume -0.23400E+00 ppm1      7.134 ppm2      1.125
 OR {11852}
     (segid "    " and resid "127 " and name "HD1 ")
     (segid "    " and resid "96  " and name "HG12")
 OR {11852}
     (segid "    " and resid "127 " and name "HD2 ")
     (segid "    " and resid "96  " and name "HG12")
 OR {11852}
     (segid "    " and resid "127 " and name "HD2 ")
     (segid "    " and resid "96  " and name "HG13")
 OR {11852}
     (segid "    " and resid "127 " and name "HD1 ")
     (segid "    " and resid "96  " and name "HG11")
 OR {11852}
     (segid "    " and resid "127 " and name "HD1 ")
     (segid "    " and resid "96  " and name "HG13")
 OR {11852}
     (segid "    " and resid "127 " and name "HD1 ")
     (segid "    " and resid "96  " and name "HG22")
 OR {11852}
     (segid "    " and resid "127 " and name "HD2 ")
     (segid "    " and resid "96  " and name "HG22")
 OR {11852}
     (segid "    " and resid "127 " and name "HD2 ")
     (segid "    " and resid "96  " and name "HG23")
 OR {11852}
     (segid "    " and resid "127 " and name "HD1 ")
     (segid "    " and resid "96  " and name "HG23")
 OR {11852}
     (segid "    " and resid "127 " and name "HD1 ")
     (segid "    " and resid "96  " and name "HG21")
 OR {11852}
     (segid "    " and resid "127 " and name "HD2 ")
     (segid "    " and resid "96  " and name "HG21")
 ASSI {11856}
     (segid "    " and resid "127 " and name "HD1 ")
     (segid "    " and resid "128 " and name "HG  ")
      6.000     6.000     0.000 peak 11856 weight  0.10000E+01 volume -0.24500E+00 ppm1      7.138 ppm2      2.013
 OR {11856}
     (segid "    " and resid "127 " and name "HD2 ")
     (segid "    " and resid "128 " and name "HG  ")
 ASSI {11858}
     (segid "    " and resid "127 " and name "HE1 ")
     (segid "    " and resid "96  " and name "HG12")
      5.000     5.000     0.000 peak 11858 weight  0.10000E+01 volume -0.93900E+00 ppm1      7.214 ppm2      1.127
 OR {11858}
     (segid "    " and resid "127 " and name "HE1 ")
     (segid "    " and resid "96  " and name "HG11")
 OR {11858}
     (segid "    " and resid "127 " and name "HE2 ")
     (segid "    " and resid "96  " and name "HG11")
 OR {11858}
     (segid "    " and resid "127 " and name "HE1 ")
     (segid "    " and resid "96  " and name "HG22")
 OR {11858}
     (segid "    " and resid "127 " and name "HE2 ")
     (segid "    " and resid "96  " and name "HG12")
 OR {11858}
     (segid "    " and resid "127 " and name "HE2 ")
     (segid "    " and resid "96  " and name "HG22")
 OR {11858}
     (segid "    " and resid "127 " and name "HE2 ")
     (segid "    " and resid "96  " and name "HG23")
 OR {11858}
     (segid "    " and resid "127 " and name "HE2 ")
     (segid "    " and resid "96  " and name "HG13")
 OR {11858}
     (segid "    " and resid "127 " and name "HE1 ")
     (segid "    " and resid "96  " and name "HG13")
 OR {11858}
     (segid "    " and resid "127 " and name "HE1 ")
     (segid "    " and resid "96  " and name "HG23")
 OR {11858}
     (segid "    " and resid "127 " and name "HE2 ")
     (segid "    " and resid "96  " and name "HG21")
 OR {11858}
     (segid "    " and resid "127 " and name "HE1 ")
     (segid "    " and resid "96  " and name "HG21")
 ASSI {11860}
     (segid "    " and resid "127 " and name "HZ  ")
     (segid "    " and resid "96  " and name "HB  ")
      6.000     6.000     0.000 peak 11860 weight  0.10000E+01 volume -0.15700E+00 ppm1      7.329 ppm2      2.341
 ASSI {11861}
     (segid "    " and resid "127 " and name "HZ  ")
     (segid "    " and resid "96  " and name "HG13")
      5.000     5.000     0.000 peak 11861 weight  0.10000E+01 volume -0.42300E+00 ppm1      7.334 ppm2      1.119
 OR {11861}
     (segid "    " and resid "127 " and name "HZ  ")
     (segid "    " and resid "96  " and name "HG12")
 OR {11861}
     (segid "    " and resid "127 " and name "HZ  ")
     (segid "    " and resid "96  " and name "HG23")
 OR {11861}
     (segid "    " and resid "127 " and name "HZ  ")
     (segid "    " and resid "96  " and name "HG11")
 OR {11861}
     (segid "    " and resid "127 " and name "HZ  ")
     (segid "    " and resid "96  " and name "HG21")
 OR {11861}
     (segid "    " and resid "127 " and name "HZ  ")
     (segid "    " and resid "96  " and name "HG22")
 ASSI {11862}
     (segid "    " and resid "128 " and name "HB1 ")
     (segid "    " and resid "128 " and name "HA  ")
      6.000     6.000     0.000 peak 11862 weight  0.10000E+01 volume  0.26000E+00 ppm1      1.731 ppm2      3.864
 ASSI {11863}
     (segid "    " and resid "128 " and name "HB2 ")
     (segid "    " and resid "128 " and name "HA  ")
      5.000     5.000     0.000 peak 11863 weight  0.10000E+01 volume  0.39100E+00 ppm1      1.220 ppm2      3.859
 ASSI {11864}
     (segid "    " and resid "128 " and name "HB1 ")
     (segid "    " and resid "128 " and name "HD11")
      5.000     5.000     0.000 peak 11864 weight  0.10000E+01 volume  0.13030E+01 ppm1      1.730 ppm2      0.722
 OR {11864}
     (segid "    " and resid "128 " and name "HB1 ")
     (segid "    " and resid "128 " and name "HD13")
 OR {11864}
     (segid "    " and resid "128 " and name "HB1 ")
     (segid "    " and resid "128 " and name "HD12")
 ASSI {11865}
     (segid "    " and resid "128 " and name "HB2 ")
     (segid "    " and resid "128 " and name "HD11")
      5.000     5.000     0.000 peak 11865 weight  0.10000E+01 volume  0.14560E+01 ppm1      1.223 ppm2      0.718
 OR {11865}
     (segid "    " and resid "128 " and name "HB2 ")
     (segid "    " and resid "128 " and name "HD13")
 OR {11865}
     (segid "    " and resid "128 " and name "HB2 ")
     (segid "    " and resid "128 " and name "HD12")
 ASSI {11867}
     (segid "    " and resid "128 " and name "HG  ")
     (segid "    " and resid "128 " and name "HA  ")
      5.000     5.000     0.000 peak 11867 weight  0.10000E+01 volume -0.65200E+00 ppm1      2.020 ppm2      3.861
 ASSI {11868}
     (segid "    " and resid "130 " and name "HA  ")
     (segid "    " and resid "130 " and name "HB1 ")
      5.000     5.000     0.000 peak 11868 weight  0.10000E+01 volume -0.14940E+01 ppm1      4.155 ppm2      2.287
 ASSI {11869}
     (segid "    " and resid "130 " and name "HA  ")
     (segid "    " and resid "130 " and name "HB2 ")
      5.000     5.000     0.000 peak 11869 weight  0.10000E+01 volume -0.15350E+01 ppm1      4.155 ppm2      1.886
 ASSI {11870}
     (segid "    " and resid "130 " and name "HA  ")
     (segid "    " and resid "130 " and name "HD1 ")
      6.000     6.000     0.000 peak 11870 weight  0.10000E+01 volume -0.18400E+00 ppm1      4.168 ppm2      3.476
 ASSI {11871}
     (segid "    " and resid "130 " and name "HA  ")
     (segid "    " and resid "130 " and name "HD2 ")
      6.000     6.000     0.000 peak 11871 weight  0.10000E+01 volume -0.13600E+00 ppm1      4.166 ppm2      3.057
 ASSI {11872}
     (segid "    " and resid "130 " and name "HA  ")
     (segid "    " and resid "130 " and name "HG2 ")
      5.000     5.000     0.000 peak 11872 weight  0.10000E+01 volume -0.66700E+00 ppm1      4.155 ppm2      1.753
 ASSI {11876}
     (segid "    " and resid "130 " and name "HB1 ")
     (segid "    " and resid "130 " and name "HB2 ")
      2.700     2.700     0.000 peak 11876 weight  0.10000E+01 volume -0.42040E+01 ppm1      2.287 ppm2      1.886
 ASSI {11877}
     (segid "    " and resid "130 " and name "HB1 ")
     (segid "    " and resid "130 " and name "HD2 ")
      5.000     5.000     0.000 peak 11877 weight  0.10000E+01 volume -0.35100E+00 ppm1      2.287 ppm2      3.061
 ASSI {11878}
     (segid "    " and resid "130 " and name "HB2 ")
     (segid "    " and resid "130 " and name "HD2 ")
      5.000     5.000     0.000 peak 11878 weight  0.10000E+01 volume -0.68700E+00 ppm1      1.886 ppm2      3.061
 ASSI {11879}
     (segid "    " and resid "130 " and name "HB1 ")
     (segid "    " and resid "130 " and name "HG2 ")
      3.300     3.300     0.000 peak 11879 weight  0.10000E+01 volume -0.23360E+01 ppm1      2.286 ppm2      1.764
 ASSI {11880}
     (segid "    " and resid "130 " and name "HD1 ")
     (segid "    " and resid "130 " and name "HB1 ")
      6.000     6.000     0.000 peak 11880 weight  0.10000E+01 volume  0.16500E+00 ppm1      3.462 ppm2      2.274
 ASSI {11882}
     (segid "    " and resid "130 " and name "HD2 ")
     (segid "    " and resid "130 " and name "HD1 ")
      5.000     5.000     0.000 peak 11882 weight  0.10000E+01 volume  0.16230E+01 ppm1      3.061 ppm2      3.470
 ASSI {11884}
     (segid "    " and resid "130 " and name "HD1 ")
     (segid "    " and resid "130 " and name "HG1 ")
      5.000     5.000     0.000 peak 11884 weight  0.10000E+01 volume  0.75400E+00 ppm1      3.477 ppm2      1.908
 ASSI {11885}
     (segid "    " and resid "130 " and name "HD2 ")
     (segid "    " and resid "130 " and name "HG1 ")
      5.000     5.000     0.000 peak 11885 weight  0.10000E+01 volume  0.55000E+00 ppm1      3.063 ppm2      1.908
 ASSI {11886}
     (segid "    " and resid "130 " and name "HD1 ")
     (segid "    " and resid "130 " and name "HG2 ")
      5.000     5.000     0.000 peak 11886 weight  0.10000E+01 volume  0.44300E+00 ppm1      3.464 ppm2      1.755
 ASSI {11887}
     (segid "    " and resid "130 " and name "HD2 ")
     (segid "    " and resid "130 " and name "HG2 ")
      5.000     5.000     0.000 peak 11887 weight  0.10000E+01 volume  0.43000E+00 ppm1      3.056 ppm2      1.759
 ASSI {11888}
     (segid "    " and resid "130 " and name "HG1 ")
     (segid "    " and resid "130 " and name "HA  ")
      5.000     5.000     0.000 peak 11888 weight  0.10000E+01 volume -0.78100E+00 ppm1      1.913 ppm2      4.169
 ASSI {11889}
     (segid "    " and resid "130 " and name "HG1 ")
     (segid "    " and resid "130 " and name "HB1 ")
      5.000     5.000     0.000 peak 11889 weight  0.10000E+01 volume -0.19460E+01 ppm1      1.913 ppm2      2.287
 ASSI {11894}
     (segid "    " and resid "131 " and name "HA  ")
     (segid "    " and resid "131 " and name "HB1 ")
      3.300     3.300     0.000 peak 11894 weight  0.10000E+01 volume  0.21520E+01 ppm1      4.551 ppm2      2.293
 ASSI {11895}
     (segid "    " and resid "131 " and name "HA  ")
     (segid "    " and resid "131 " and name "HB2 ")
      5.000     5.000     0.000 peak 11895 weight  0.10000E+01 volume  0.14960E+01 ppm1      4.551 ppm2      1.485
 ASSI {11896}
     (segid "    " and resid "131 " and name "HA  ")
     (segid "    " and resid "131 " and name "HG1 ")
      5.000     5.000     0.000 peak 11896 weight  0.10000E+01 volume  0.99300E+00 ppm1      4.550 ppm2      2.070
 ASSI {11897}
     (segid "    " and resid "131 " and name "HA  ")
     (segid "    " and resid "131 " and name "HG2 ")
      5.000     5.000     0.000 peak 11897 weight  0.10000E+01 volume  0.10410E+01 ppm1      4.548 ppm2      1.972
 ASSI {11900}
     (segid "    " and resid "131 " and name "HB2 ")
     (segid "    " and resid "131 " and name "HB1 ")
      3.300     3.300     0.000 peak 11900 weight  0.10000E+01 volume -0.23920E+01 ppm1      1.486 ppm2      2.287
 ASSI {11902}
     (segid "    " and resid "131 " and name "HB2 ")
     (segid "    " and resid "131 " and name "HG1 ")
      5.000     5.000     0.000 peak 11902 weight  0.10000E+01 volume -0.14330E+01 ppm1      1.486 ppm2      2.062
 ASSI {11903}
     (segid "    " and resid "131 " and name "HB2 ")
     (segid "    " and resid "131 " and name "HG2 ")
      5.000     5.000     0.000 peak 11903 weight  0.10000E+01 volume -0.13360E+01 ppm1      1.486 ppm2      1.962
 ASSI {11908}
     (segid "    " and resid "132 " and name "HA  ")
     (segid "    " and resid "132 " and name "HB2 ")
      5.000     5.000     0.000 peak 11908 weight  0.10000E+01 volume  0.15860E+01 ppm1      5.097 ppm2      3.525
 OR {11908}
     (segid "    " and resid "132 " and name "HA  ")
     (segid "    " and resid "132 " and name "HB1 ")
 ASSI {11910}
     (segid "    " and resid "133 " and name "HA  ")
     (segid "    " and resid "133 " and name "HB1 ")
      5.000     5.000     0.000 peak 11910 weight  0.10000E+01 volume  0.12990E+01 ppm1      4.682 ppm2      2.915
 ASSI {11911}
     (segid "    " and resid "133 " and name "HA  ")
     (segid "    " and resid "133 " and name "HB2 ")
      5.000     5.000     0.000 peak 11911 weight  0.10000E+01 volume  0.17920E+01 ppm1      4.682 ppm2      2.579
 ASSI {11914}
     (segid "    " and resid "134 " and name "HB1 ")
     (segid "    " and resid "134 " and name "HA  ")
      5.000     5.000     0.000 peak 11914 weight  0.10000E+01 volume  0.40900E+00 ppm1      1.676 ppm2      3.880
 ASSI {11915}
     (segid "    " and resid "134 " and name "HB2 ")
     (segid "    " and resid "134 " and name "HA  ")
      5.000     5.000     0.000 peak 11915 weight  0.10000E+01 volume  0.43900E+00 ppm1      1.594 ppm2      3.882
 ASSI {11916}
     (segid "    " and resid "134 " and name "HB1 ")
     (segid "    " and resid "134 " and name "HD13")
      5.000     5.000     0.000 peak 11916 weight  0.10000E+01 volume  0.14420E+01 ppm1      1.678 ppm2      0.922
 OR {11916}
     (segid "    " and resid "134 " and name "HB1 ")
     (segid "    " and resid "134 " and name "HD11")
 OR {11916}
     (segid "    " and resid "134 " and name "HB1 ")
     (segid "    " and resid "134 " and name "HD12")
 ASSI {11917}
     (segid "    " and resid "134 " and name "HB2 ")
     (segid "    " and resid "134 " and name "HD11")
      3.300     3.300     0.000 peak 11917 weight  0.10000E+01 volume  0.20590E+01 ppm1      1.587 ppm2      0.915
 OR {11917}
     (segid "    " and resid "134 " and name "HB2 ")
     (segid "    " and resid "134 " and name "HD13")
 OR {11917}
     (segid "    " and resid "134 " and name "HB2 ")
     (segid "    " and resid "134 " and name "HD12")
 ASSI {11918}
     (segid "    " and resid "134 " and name "HB1 ")
     (segid "    " and resid "134 " and name "HD22")
      5.000     5.000     0.000 peak 11918 weight  0.10000E+01 volume  0.72300E+00 ppm1      1.676 ppm2      0.698
 OR {11918}
     (segid "    " and resid "134 " and name "HB1 ")
     (segid "    " and resid "134 " and name "HD23")
 OR {11918}
     (segid "    " and resid "134 " and name "HB1 ")
     (segid "    " and resid "134 " and name "HD21")
 ASSI {11919}
     (segid "    " and resid "134 " and name "HB2 ")
     (segid "    " and resid "134 " and name "HD21")
      5.000     5.000     0.000 peak 11919 weight  0.10000E+01 volume  0.65000E+00 ppm1      1.598 ppm2      0.692
 OR {11919}
     (segid "    " and resid "134 " and name "HB2 ")
     (segid "    " and resid "134 " and name "HD22")
 OR {11919}
     (segid "    " and resid "134 " and name "HB2 ")
     (segid "    " and resid "134 " and name "HD23")
 ASSI {11920}
     (segid "    " and resid "134 " and name "HB1 ")
     (segid "    " and resid "134 " and name "HG  ")
      5.000     5.000     0.000 peak 11920 weight  0.10000E+01 volume  0.11220E+01 ppm1      1.677 ppm2      1.959
 ASSI {11921}
     (segid "    " and resid "134 " and name "HB2 ")
     (segid "    " and resid "134 " and name "HG  ")
      5.000     5.000     0.000 peak 11921 weight  0.10000E+01 volume  0.71300E+00 ppm1      1.588 ppm2      1.961
 ASSI {11922}
     (segid "    " and resid "135 " and name "HA  ")
     (segid "    " and resid "135 " and name "HB1 ")
      5.000     5.000     0.000 peak 11922 weight  0.10000E+01 volume  0.10440E+01 ppm1      4.716 ppm2      3.310
 ASSI {11923}
     (segid "    " and resid "135 " and name "HA  ")
     (segid "    " and resid "135 " and name "HB2 ")
      5.000     5.000     0.000 peak 11923 weight  0.10000E+01 volume  0.91300E+00 ppm1      4.718 ppm2      3.076
 ASSI {11926}
     (segid "    " and resid "135 " and name "HB2 ")
     (segid "    " and resid "135 " and name "HB1 ")
      5.000     5.000     0.000 peak 11926 weight  0.10000E+01 volume -0.13910E+01 ppm1      3.087 ppm2      3.321
 ASSI {11928}
     (segid "    " and resid "135 " and name "HB2 ")
     (segid "    " and resid "135 " and name "HD2 ")
      6.000     6.000     0.000 peak 11928 weight  0.10000E+01 volume -0.47000E-01 ppm1      3.093 ppm2      7.079
 ASSI {11929}
     (segid "    " and resid "136 " and name "HA  ")
     (segid "    " and resid "136 " and name "HB1 ")
      5.000     5.000     0.000 peak 11929 weight  0.10000E+01 volume  0.10790E+01 ppm1      4.262 ppm2      3.293
 ASSI {11930}
     (segid "    " and resid "136 " and name "HA  ")
     (segid "    " and resid "136 " and name "HB2 ")
      5.000     5.000     0.000 peak 11930 weight  0.10000E+01 volume  0.15670E+01 ppm1      4.262 ppm2      3.053
 ASSI {11931}
     (segid "    " and resid "136 " and name "HA  ")
     (segid "    " and resid "136 " and name "HD2 ")
      6.000     6.000     0.000 peak 11931 weight  0.10000E+01 volume  0.96000E-01 ppm1      4.267 ppm2      6.743
 ASSI {11934}
     (segid "    " and resid "136 " and name "HB2 ")
     (segid "    " and resid "136 " and name "HB1 ")
      3.300     3.300     0.000 peak 11934 weight  0.10000E+01 volume -0.20670E+01 ppm1      3.071 ppm2      3.287
 ASSI {11936}
     (segid "    " and resid "136 " and name "HB1 ")
     (segid "    " and resid "136 " and name "HD2 ")
      6.000     6.000     0.000 peak 11936 weight  0.10000E+01 volume -0.13000E+00 ppm1      3.291 ppm2      6.733
 ASSI {11937}
     (segid "    " and resid "136 " and name "HB2 ")
     (segid "    " and resid "136 " and name "HD2 ")
      6.000     6.000     0.000 peak 11937 weight  0.10000E+01 volume -0.75000E-01 ppm1      3.051 ppm2      6.752
 ASSI {11945}
     (segid "    " and resid "137 " and name "HA  ")
     (segid "    " and resid "137 " and name "HB2 ")
      3.300     3.300     0.000 peak 11945 weight  0.10000E+01 volume  0.21320E+01 ppm1      4.219 ppm2      1.252
 ASSI {11946}
     (segid "    " and resid "137 " and name "HA  ")
     (segid "    " and resid "137 " and name "HD2 ")
      5.000     5.000     0.000 peak 11946 weight  0.10000E+01 volume  0.61800E+00 ppm1      4.219 ppm2      3.148
 OR {11946}
     (segid "    " and resid "137 " and name "HA  ")
     (segid "    " and resid "137 " and name "HD1 ")
 ASSI {11947}
     (segid "    " and resid "137 " and name "HA  ")
     (segid "    " and resid "137 " and name "HG1 ")
      5.000     5.000     0.000 peak 11947 weight  0.10000E+01 volume  0.14120E+01 ppm1      4.224 ppm2      1.675
 ASSI {11948}
     (segid "    " and resid "137 " and name "HB1 ")
     (segid "    " and resid "137 " and name "HA  ")
      5.000     5.000     0.000 peak 11948 weight  0.10000E+01 volume -0.50700E+00 ppm1      1.541 ppm2      4.227
 ASSI {11950}
     (segid "    " and resid "137 " and name "HB2 ")
     (segid "    " and resid "137 " and name "HB1 ")
      5.000     5.000     0.000 peak 11950 weight  0.10000E+01 volume -0.11860E+01 ppm1      1.262 ppm2      1.542
 ASSI {11952}
     (segid "    " and resid "137 " and name "HB1 ")
     (segid "    " and resid "137 " and name "HD2 ")
      5.000     5.000     0.000 peak 11952 weight  0.10000E+01 volume -0.70000E+00 ppm1      1.540 ppm2      3.167
 OR {11952}
     (segid "    " and resid "137 " and name "HB1 ")
     (segid "    " and resid "137 " and name "HD1 ")
 ASSI {11953}
     (segid "    " and resid "137 " and name "HB2 ")
     (segid "    " and resid "137 " and name "HD2 ")
      5.000     5.000     0.000 peak 11953 weight  0.10000E+01 volume -0.60600E+00 ppm1      1.273 ppm2      3.167
 OR {11953}
     (segid "    " and resid "137 " and name "HB2 ")
     (segid "    " and resid "137 " and name "HD1 ")
 ASSI {11955}
     (segid "    " and resid "137 " and name "HB2 ")
     (segid "    " and resid "137 " and name "HG2 ")
      5.000     5.000     0.000 peak 11955 weight  0.10000E+01 volume -0.90400E+00 ppm1      1.260 ppm2      1.438
 ASSI {11956}
     (segid "    " and resid "137 " and name "HG1 ")
     (segid "    " and resid "137 " and name "HD2 ")
      5.000     5.000     0.000 peak 11956 weight  0.10000E+01 volume -0.12970E+01 ppm1      1.673 ppm2      3.154
 OR {11956}
     (segid "    " and resid "137 " and name "HG1 ")
     (segid "    " and resid "137 " and name "HD1 ")
 ASSI {11957}
     (segid "    " and resid "137 " and name "HG2 ")
     (segid "    " and resid "137 " and name "HD1 ")
      5.000     5.000     0.000 peak 11957 weight  0.10000E+01 volume -0.77500E+00 ppm1      1.433 ppm2      3.141
 OR {11957}
     (segid "    " and resid "137 " and name "HG2 ")
     (segid "    " and resid "137 " and name "HD2 ")
 ASSI {11958}
     (segid "    " and resid "138 " and name "HA  ")
     (segid "    " and resid "138 " and name "HB1 ")
      5.000     5.000     0.000 peak 11958 weight  0.10000E+01 volume  0.95600E+00 ppm1      4.578 ppm2      2.854
 ASSI {11959}
     (segid "    " and resid "138 " and name "HA  ")
     (segid "    " and resid "138 " and name "HB2 ")
      5.000     5.000     0.000 peak 11959 weight  0.10000E+01 volume  0.99700E+00 ppm1      4.579 ppm2      1.624
 ASSI {11962}
     (segid "    " and resid "138 " and name "HB2 ")
     (segid "    " and resid "138 " and name "HB1 ")
      5.000     5.000     0.000 peak 11962 weight  0.10000E+01 volume  0.73900E+00 ppm1      1.621 ppm2      2.857
 ASSI {11964}
     (segid "    " and resid "140 " and name "HA  ")
     (segid "    " and resid "140 " and name "HB1 ")
      3.300     3.300     0.000 peak 11964 weight  0.10000E+01 volume  0.23790E+01 ppm1      4.511 ppm2      4.103
 ASSI {11965}
     (segid "    " and resid "140 " and name "HA  ")
     (segid "    " and resid "140 " and name "HB2 ")
      2.700     2.700     0.000 peak 11965 weight  0.10000E+01 volume  0.47180E+01 ppm1      4.520 ppm2      3.921
 ASSI {11968}
     (segid "    " and resid "140 " and name "HB2 ")
     (segid "    " and resid "140 " and name "HB1 ")
      2.700     2.700     0.000 peak 11968 weight  0.10000E+01 volume -0.83050E+01 ppm1      3.915 ppm2      4.102
 ASSI {11970}
     (segid "    " and resid "141 " and name "HA2 ")
     (segid "    " and resid "141 " and name "HA1 ")
      3.300     3.300     0.000 peak 11970 weight  0.10000E+01 volume  0.24470E+01 ppm1      3.691 ppm2      4.310
 ASSI {11972}
     (segid "    " and resid "142 " and name "HA  ")
     (segid "    " and resid "142 " and name "HB1 ")
      5.000     5.000     0.000 peak 11972 weight  0.10000E+01 volume  0.81300E+00 ppm1      4.978 ppm2      2.070
 ASSI {11973}
     (segid "    " and resid "142 " and name "HA  ")
     (segid "    " and resid "142 " and name "HB2 ")
      5.000     5.000     0.000 peak 11973 weight  0.10000E+01 volume  0.75900E+00 ppm1      4.966 ppm2      1.323
 ASSI {11974}
     (segid "    " and resid "142 " and name "HA  ")
     (segid "    " and resid "142 " and name "HD11")
      5.000     5.000     0.000 peak 11974 weight  0.10000E+01 volume  0.50400E+00 ppm1      4.972 ppm2      0.890
 OR {11974}
     (segid "    " and resid "142 " and name "HA  ")
     (segid "    " and resid "142 " and name "HD12")
 OR {11974}
     (segid "    " and resid "142 " and name "HA  ")
     (segid "    " and resid "142 " and name "HD13")
 ASSI {11975}
     (segid "    " and resid "142 " and name "HA  ")
     (segid "    " and resid "142 " and name "HD23")
      5.000     5.000     0.000 peak 11975 weight  0.10000E+01 volume  0.16560E+01 ppm1      4.975 ppm2      0.745
 OR {11975}
     (segid "    " and resid "142 " and name "HA  ")
     (segid "    " and resid "142 " and name "HD21")
 OR {11975}
     (segid "    " and resid "142 " and name "HA  ")
     (segid "    " and resid "142 " and name "HD22")
 ASSI {11976}
     (segid "    " and resid "142 " and name "HA  ")
     (segid "    " and resid "142 " and name "HG  ")
      5.000     5.000     0.000 peak 11976 weight  0.10000E+01 volume  0.62400E+00 ppm1      4.974 ppm2      1.511
 ASSI {11980}
     (segid "    " and resid "142 " and name "HB1 ")
     (segid "    " and resid "142 " and name "HD23")
      5.000     5.000     0.000 peak 11980 weight  0.10000E+01 volume  0.50200E+00 ppm1      2.047 ppm2      0.743
 OR {11980}
     (segid "    " and resid "142 " and name "HB1 ")
     (segid "    " and resid "142 " and name "HD21")
 OR {11980}
     (segid "    " and resid "142 " and name "HB1 ")
     (segid "    " and resid "142 " and name "HD22")
 ASSI {11982}
     (segid "    " and resid "142 " and name "HD11")
     (segid "    " and resid "142 " and name "HB1 ")
      3.300     3.300     0.000 peak 11982 weight  0.10000E+01 volume -0.21820E+01 ppm1      0.899 ppm2      2.073
 OR {11982}
     (segid "    " and resid "142 " and name "HD12")
     (segid "    " and resid "142 " and name "HB1 ")
 OR {11982}
     (segid "    " and resid "142 " and name "HD13")
     (segid "    " and resid "142 " and name "HB1 ")
 ASSI {11983}
     (segid "    " and resid "142 " and name "HD11")
     (segid "    " and resid "142 " and name "HB2 ")
      3.300     3.300     0.000 peak 11983 weight  0.10000E+01 volume -0.25230E+01 ppm1      0.891 ppm2      1.331
 OR {11983}
     (segid "    " and resid "142 " and name "HD12")
     (segid "    " and resid "142 " and name "HB2 ")
 OR {11983}
     (segid "    " and resid "142 " and name "HD13")
     (segid "    " and resid "142 " and name "HB2 ")
 ASSI {11984}
     (segid "    " and resid "142 " and name "HD12")
     (segid "    " and resid "142 " and name "HG  ")
      3.300     3.300     0.000 peak 11984 weight  0.10000E+01 volume -0.38350E+01 ppm1      0.893 ppm2      1.513
 OR {11984}
     (segid "    " and resid "142 " and name "HD13")
     (segid "    " and resid "142 " and name "HG  ")
 OR {11984}
     (segid "    " and resid "142 " and name "HD11")
     (segid "    " and resid "142 " and name "HG  ")
 ASSI {11986}
     (segid "    " and resid "142 " and name "HD23")
     (segid "    " and resid "142 " and name "HG  ")
      2.700     2.700     0.000 peak 11986 weight  0.10000E+01 volume -0.49960E+01 ppm1      0.739 ppm2      1.513
 OR {11986}
     (segid "    " and resid "142 " and name "HD21")
     (segid "    " and resid "142 " and name "HG  ")
 OR {11986}
     (segid "    " and resid "142 " and name "HD22")
     (segid "    " and resid "142 " and name "HG  ")
 ASSI {11988}
     (segid "    " and resid "142 " and name "HG  ")
     (segid "    " and resid "142 " and name "HB1 ")
      5.000     5.000     0.000 peak 11988 weight  0.10000E+01 volume -0.95500E+00 ppm1      1.513 ppm2      2.073
 ASSI {11990}
     (segid "    " and resid "143 " and name "HA  ")
     (segid "    " and resid "143 " and name "HB  ")
      5.000     5.000     0.000 peak 11990 weight  0.10000E+01 volume -0.43600E+00 ppm1      5.382 ppm2      4.689
 ASSI {11991}
     (segid "    " and resid "143 " and name "HA  ")
     (segid "    " and resid "143 " and name "HG23")
      5.000     5.000     0.000 peak 11991 weight  0.10000E+01 volume -0.85300E+00 ppm1      5.382 ppm2      1.246
 OR {11991}
     (segid "    " and resid "143 " and name "HA  ")
     (segid "    " and resid "143 " and name "HG21")
 OR {11991}
     (segid "    " and resid "143 " and name "HA  ")
     (segid "    " and resid "143 " and name "HG22")
 ASSI {11995}
     (segid "    " and resid "143 " and name "HG22")
     (segid "    " and resid "143 " and name "HB  ")
      3.300     3.300     0.000 peak 11995 weight  0.10000E+01 volume -0.27620E+01 ppm1      1.246 ppm2      4.689
 OR {11995}
     (segid "    " and resid "143 " and name "HG21")
     (segid "    " and resid "143 " and name "HB  ")
 OR {11995}
     (segid "    " and resid "143 " and name "HG23")
     (segid "    " and resid "143 " and name "HB  ")
 ASSI {11996}
     (segid "    " and resid "144 " and name "HA  ")
     (segid "    " and resid "144 " and name "HB2 ")
      5.000     5.000     0.000 peak 11996 weight  0.10000E+01 volume -0.87300E+00 ppm1      3.689 ppm2      1.779
 ASSI {11997}
     (segid "    " and resid "144 " and name "HD1 ")
     (segid "    " and resid "143 " and name "HA  ")
      5.000     5.000     0.000 peak 11997 weight  0.10000E+01 volume  0.63800E+00 ppm1      4.305 ppm2      5.370
 ASSI {11998}
     (segid "    " and resid "144 " and name "HD2 ")
     (segid "    " and resid "143 " and name "HA  ")
      6.000     6.000     0.000 peak 11998 weight  0.10000E+01 volume  0.25100E+00 ppm1      3.746 ppm2      5.375
 ASSI {11999}
     (segid "    " and resid "144 " and name "HD1 ")
     (segid "    " and resid "143 " and name "HB  ")
      5.000     5.000     0.000 peak 11999 weight  0.10000E+01 volume  0.34800E+00 ppm1      4.291 ppm2      4.689
 ASSI {12000}
     (segid "    " and resid "144 " and name "HD2 ")
     (segid "    " and resid "143 " and name "HB  ")
      5.000     5.000     0.000 peak 12000 weight  0.10000E+01 volume  0.36000E+00 ppm1      3.733 ppm2      4.696
 ASSI {12001}
     (segid "    " and resid "144 " and name "HD2 ")
     (segid "    " and resid "144 " and name "HD1 ")
      6.000     6.000     0.000 peak 12001 weight  0.10000E+01 volume  0.29800E+00 ppm1      3.725 ppm2      4.297
 ASSI {12002}
     (segid "    " and resid "144 " and name "HD1 ")
     (segid "    " and resid "144 " and name "HG1 ")
      5.000     5.000     0.000 peak 12002 weight  0.10000E+01 volume  0.48600E+00 ppm1      4.297 ppm2      1.689
 ASSI {12003}
     (segid "    " and resid "144 " and name "HD2 ")
     (segid "    " and resid "144 " and name "HG1 ")
      6.000     6.000     0.000 peak 12003 weight  0.10000E+01 volume  0.20600E+00 ppm1      3.730 ppm2      1.680
 ASSI {12004}
     (segid "    " and resid "144 " and name "HD1 ")
     (segid "    " and resid "144 " and name "HG2 ")
      6.000     6.000     0.000 peak 12004 weight  0.10000E+01 volume  0.14800E+00 ppm1      4.294 ppm2      0.552
 ASSI {12005}
     (segid "    " and resid "144 " and name "HD2 ")
     (segid "    " and resid "144 " and name "HG2 ")
      6.000     6.000     0.000 peak 12005 weight  0.10000E+01 volume  0.14200E+00 ppm1      3.714 ppm2      0.538
 ASSI {12006}
     (segid "    " and resid "144 " and name "HG1 ")
     (segid "    " and resid "144 " and name "HG2 ")
      5.000     5.000     0.000 peak 12006 weight  0.10000E+01 volume -0.50300E+00 ppm1      1.678 ppm2      0.547
 ASSI {12007}
     (segid "    " and resid "145 " and name "HA  ")
     (segid "    " and resid "145 " and name "HB1 ")
      3.300     3.300     0.000 peak 12007 weight  0.10000E+01 volume  0.25740E+01 ppm1      3.931 ppm2      1.754
 ASSI {12008}
     (segid "    " and resid "145 " and name "HA  ")
     (segid "    " and resid "145 " and name "HB2 ")
      3.300     3.300     0.000 peak 12008 weight  0.10000E+01 volume  0.25250E+01 ppm1      3.936 ppm2      1.404
 ASSI {12009}
     (segid "    " and resid "145 " and name "HA  ")
     (segid "    " and resid "145 " and name "HG  ")
      5.000     5.000     0.000 peak 12009 weight  0.10000E+01 volume  0.19450E+01 ppm1      3.931 ppm2      1.531
 ASSI {12013}
     (segid "    " and resid "145 " and name "HB1 ")
     (segid "    " and resid "145 " and name "HB2 ")
      3.300     3.300     0.000 peak 12013 weight  0.10000E+01 volume  0.20990E+01 ppm1      1.751 ppm2      1.403
 ASSI {12014}
     (segid "    " and resid "145 " and name "HB2 ")
     (segid "    " and resid "145 " and name "HG  ")
      3.300     3.300     0.000 peak 12014 weight  0.10000E+01 volume  0.25130E+01 ppm1      1.404 ppm2      1.539
 ASSI {12015}
     (segid "    " and resid "145 " and name "HD11")
     (segid "    " and resid "145 " and name "HB1 ")
      2.700     2.700     0.000 peak 12015 weight  0.10000E+01 volume -0.44220E+01 ppm1      0.952 ppm2      1.753
 OR {12015}
     (segid "    " and resid "145 " and name "HD12")
     (segid "    " and resid "145 " and name "HB1 ")
 OR {12015}
     (segid "    " and resid "145 " and name "HD13")
     (segid "    " and resid "145 " and name "HB1 ")
 ASSI {12016}
     (segid "    " and resid "145 " and name "HD13")
     (segid "    " and resid "145 " and name "HB2 ")
      2.700     2.700     0.000 peak 12016 weight  0.10000E+01 volume -0.41030E+01 ppm1      0.952 ppm2      1.406
 OR {12016}
     (segid "    " and resid "145 " and name "HD12")
     (segid "    " and resid "145 " and name "HB2 ")
 OR {12016}
     (segid "    " and resid "145 " and name "HD11")
     (segid "    " and resid "145 " and name "HB2 ")
 ASSI {12017}
     (segid "    " and resid "145 " and name "HD11")
     (segid "    " and resid "145 " and name "HG  ")
      2.700     2.700     0.000 peak 12017 weight  0.10000E+01 volume -0.50690E+01 ppm1      0.952 ppm2      1.540
 OR {12017}
     (segid "    " and resid "145 " and name "HD13")
     (segid "    " and resid "145 " and name "HG  ")
 OR {12017}
     (segid "    " and resid "145 " and name "HD12")
     (segid "    " and resid "145 " and name "HG  ")
 ASSI {12018}
     (segid "    " and resid "145 " and name "HD23")
     (segid "    " and resid "145 " and name "HG  ")
      2.700     2.700     0.000 peak 12018 weight  0.10000E+01 volume -0.10814E+02 ppm1      1.006 ppm2      1.525
 OR {12018}
     (segid "    " and resid "145 " and name "HD22")
     (segid "    " and resid "145 " and name "HG  ")
 OR {12018}
     (segid "    " and resid "145 " and name "HD21")
     (segid "    " and resid "145 " and name "HG  ")
 ASSI {12020}
     (segid "    " and resid "146 " and name "HG1 ")
     (segid "    " and resid "146 " and name "HA  ")
      5.000     5.000     0.000 peak 12020 weight  0.10000E+01 volume  0.62700E+00 ppm1      2.424 ppm2      3.995
 ASSI {12021}
     (segid "    " and resid "146 " and name "HG2 ")
     (segid "    " and resid "146 " and name "HA  ")
      5.000     5.000     0.000 peak 12021 weight  0.10000E+01 volume  0.66600E+00 ppm1      2.334 ppm2      3.998
 ASSI {12022}
     (segid "    " and resid "147 " and name "HA  ")
     (segid "    " and resid "147 " and name "HB1 ")
      3.300     3.300     0.000 peak 12022 weight  0.10000E+01 volume  0.21590E+01 ppm1      4.209 ppm2      2.125
 ASSI {12023}
     (segid "    " and resid "147 " and name "HA  ")
     (segid "    " and resid "147 " and name "HD11")
      5.000     5.000     0.000 peak 12023 weight  0.10000E+01 volume  0.12800E+01 ppm1      4.213 ppm2      1.185
 OR {12023}
     (segid "    " and resid "147 " and name "HA  ")
     (segid "    " and resid "147 " and name "HD13")
 OR {12023}
     (segid "    " and resid "147 " and name "HA  ")
     (segid "    " and resid "147 " and name "HD12")
 ASSI {12024}
     (segid "    " and resid "147 " and name "HA  ")
     (segid "    " and resid "147 " and name "HD23")
      3.300     3.300     0.000 peak 12024 weight  0.10000E+01 volume  0.34580E+01 ppm1      4.209 ppm2      1.043
 OR {12024}
     (segid "    " and resid "147 " and name "HA  ")
     (segid "    " and resid "147 " and name "HD22")
 OR {12024}
     (segid "    " and resid "147 " and name "HA  ")
     (segid "    " and resid "147 " and name "HD21")
 ASSI {12026}
     (segid "    " and resid "147 " and name "HB2 ")
     (segid "    " and resid "147 " and name "HA  ")
      5.000     5.000     0.000 peak 12026 weight  0.10000E+01 volume  0.48000E+00 ppm1      1.562 ppm2      4.207
 ASSI {12028}
     (segid "    " and resid "147 " and name "HB1 ")
     (segid "    " and resid "147 " and name "HB2 ")
      3.300     3.300     0.000 peak 12028 weight  0.10000E+01 volume  0.25480E+01 ppm1      2.137 ppm2      1.551
 ASSI {12029}
     (segid "    " and resid "147 " and name "HB2 ")
     (segid "    " and resid "147 " and name "HD13")
      5.000     5.000     0.000 peak 12029 weight  0.10000E+01 volume  0.10690E+01 ppm1      1.556 ppm2      1.190
 OR {12029}
     (segid "    " and resid "147 " and name "HB2 ")
     (segid "    " and resid "147 " and name "HD11")
 OR {12029}
     (segid "    " and resid "147 " and name "HB2 ")
     (segid "    " and resid "147 " and name "HD12")
 ASSI {12030}
     (segid "    " and resid "147 " and name "HB2 ")
     (segid "    " and resid "147 " and name "HD22")
      5.000     5.000     0.000 peak 12030 weight  0.10000E+01 volume  0.11350E+01 ppm1      1.565 ppm2      1.048
 OR {12030}
     (segid "    " and resid "147 " and name "HB2 ")
     (segid "    " and resid "147 " and name "HD21")
 OR {12030}
     (segid "    " and resid "147 " and name "HB2 ")
     (segid "    " and resid "147 " and name "HD23")
 ASSI {12031}
     (segid "    " and resid "147 " and name "HB1 ")
     (segid "    " and resid "147 " and name "HG  ")
      3.300     3.300     0.000 peak 12031 weight  0.10000E+01 volume  0.25230E+01 ppm1      2.134 ppm2      1.472
 ASSI {12034}
     (segid "    " and resid "147 " and name "HD13")
     (segid "    " and resid "147 " and name "HD23")
      2.700     2.700     0.000 peak 12034 weight  0.10000E+01 volume -0.70190E+01 ppm1      1.193 ppm2      1.048
 OR {12034}
     (segid "    " and resid "147 " and name "HD11")
     (segid "    " and resid "147 " and name "HD23")
 OR {12034}
     (segid "    " and resid "147 " and name "HD13")
     (segid "    " and resid "147 " and name "HD21")
 OR {12034}
     (segid "    " and resid "147 " and name "HD12")
     (segid "    " and resid "147 " and name "HD23")
 OR {12034}
     (segid "    " and resid "147 " and name "HD13")
     (segid "    " and resid "147 " and name "HD22")
 OR {12034}
     (segid "    " and resid "147 " and name "HD12")
     (segid "    " and resid "147 " and name "HD22")
 OR {12034}
     (segid "    " and resid "147 " and name "HD12")
     (segid "    " and resid "147 " and name "HD21")
 OR {12034}
     (segid "    " and resid "147 " and name "HD11")
     (segid "    " and resid "147 " and name "HD22")
 OR {12034}
     (segid "    " and resid "147 " and name "HD11")
     (segid "    " and resid "147 " and name "HD21")
 ASSI {12035}
     (segid "    " and resid "147 " and name "HD12")
     (segid "    " and resid "147 " and name "HG  ")
      3.300     3.300     0.000 peak 12035 weight  0.10000E+01 volume -0.30430E+01 ppm1      1.193 ppm2      1.487
 OR {12035}
     (segid "    " and resid "147 " and name "HD13")
     (segid "    " and resid "147 " and name "HG  ")
 OR {12035}
     (segid "    " and resid "147 " and name "HD11")
     (segid "    " and resid "147 " and name "HG  ")
 ASSI {12038}
     (segid "    " and resid "147 " and name "HD21")
     (segid "    " and resid "147 " and name "HB1 ")
      3.300     3.300     0.000 peak 12038 weight  0.10000E+01 volume -0.32670E+01 ppm1      1.032 ppm2      2.127
 OR {12038}
     (segid "    " and resid "147 " and name "HD23")
     (segid "    " and resid "147 " and name "HB1 ")
 OR {12038}
     (segid "    " and resid "147 " and name "HD22")
     (segid "    " and resid "147 " and name "HB1 ")
 ASSI {12040}
     (segid "    " and resid "147 " and name "HG  ")
     (segid "    " and resid "147 " and name "HA  ")
      5.000     5.000     0.000 peak 12040 weight  0.10000E+01 volume -0.45400E+00 ppm1      1.486 ppm2      4.208
 ASSI {12043}
     (segid "    " and resid "148 " and name "HB3 ")
     (segid "    " and resid "148 " and name "HA  ")
      2.700     2.700     0.000 peak 12043 weight  0.10000E+01 volume -0.43960E+01 ppm1      1.433 ppm2      3.742
 OR {12043}
     (segid "    " and resid "148 " and name "HB2 ")
     (segid "    " and resid "148 " and name "HA  ")
 OR {12043}
     (segid "    " and resid "148 " and name "HB1 ")
     (segid "    " and resid "148 " and name "HA  ")
 ASSI {12044}
     (segid "    " and resid "149 " and name "HA  ")
     (segid "    " and resid "149 " and name "HB1 ")
      5.000     5.000     0.000 peak 12044 weight  0.10000E+01 volume -0.19930E+01 ppm1      4.339 ppm2      1.973
 ASSI {12045}
     (segid "    " and resid "149 " and name "HA  ")
     (segid "    " and resid "149 " and name "HB2 ")
      5.000     5.000     0.000 peak 12045 weight  0.10000E+01 volume -0.18950E+01 ppm1      4.336 ppm2      1.868
 ASSI {12046}
     (segid "    " and resid "149 " and name "HA  ")
     (segid "    " and resid "149 " and name "HD2 ")
      5.000     5.000     0.000 peak 12046 weight  0.10000E+01 volume -0.45900E+00 ppm1      4.336 ppm2      3.255
 OR {12046}
     (segid "    " and resid "149 " and name "HA  ")
     (segid "    " and resid "149 " and name "HD1 ")
 ASSI {12047}
     (segid "    " and resid "149 " and name "HA  ")
     (segid "    " and resid "149 " and name "HG1 ")
      5.000     5.000     0.000 peak 12047 weight  0.10000E+01 volume -0.16350E+01 ppm1      4.336 ppm2      1.757
 ASSI {12048}
     (segid "    " and resid "149 " and name "HA  ")
     (segid "    " and resid "149 " and name "HG2 ")
      5.000     5.000     0.000 peak 12048 weight  0.10000E+01 volume -0.12020E+01 ppm1      4.335 ppm2      1.578
 ASSI {12051}
     (segid "    " and resid "150 " and name "HB1 ")
     (segid "    " and resid "150 " and name "HA  ")
      5.000     5.000     0.000 peak 12051 weight  0.10000E+01 volume -0.10990E+01 ppm1      2.414 ppm2      4.048
 ASSI {12053}
     (segid "    " and resid "150 " and name "HG2 ")
     (segid "    " and resid "150 " and name "HA  ")
      5.000     5.000     0.000 peak 12053 weight  0.10000E+01 volume  0.13850E+01 ppm1      2.337 ppm2      4.043
 ASSI {12054}
     (segid "    " and resid "150 " and name "HG2 ")
     (segid "    " and resid "150 " and name "HG1 ")
      2.700     2.700     0.000 peak 12054 weight  0.10000E+01 volume  0.53500E+01 ppm1      2.333 ppm2      2.551
 ASSI {12055}
     (segid "    " and resid "151 " and name "HA  ")
     (segid "    " and resid "151 " and name "HB1 ")
      3.300     3.300     0.000 peak 12055 weight  0.10000E+01 volume  0.26060E+01 ppm1      4.289 ppm2      2.147
 ASSI {12056}
     (segid "    " and resid "151 " and name "HA  ")
     (segid "    " and resid "151 " and name "HB2 ")
      3.300     3.300     0.000 peak 12056 weight  0.10000E+01 volume  0.39580E+01 ppm1      4.290 ppm2      1.804
 ASSI {12057}
     (segid "    " and resid "151 " and name "HA  ")
     (segid "    " and resid "151 " and name "HD1 ")
      5.000     5.000     0.000 peak 12057 weight  0.10000E+01 volume  0.73900E+00 ppm1      4.292 ppm2      3.293
 ASSI {12058}
     (segid "    " and resid "151 " and name "HA  ")
     (segid "    " and resid "151 " and name "HD2 ")
      5.000     5.000     0.000 peak 12058 weight  0.10000E+01 volume  0.58300E+00 ppm1      4.291 ppm2      2.991
 ASSI {12060}
     (segid "    " and resid "151 " and name "HB2 ")
     (segid "    " and resid "151 " and name "HD2 ")
      5.000     5.000     0.000 peak 12060 weight  0.10000E+01 volume -0.56400E+00 ppm1      1.805 ppm2      2.987
 ASSI {12066}
     (segid "    " and resid "151 " and name "HD2 ")
     (segid "    " and resid "151 " and name "HB1 ")
      5.000     5.000     0.000 peak 12066 weight  0.10000E+01 volume  0.68000E+00 ppm1      2.987 ppm2      2.137
 ASSI {12067}
     (segid "    " and resid "151 " and name "HD2 ")
     (segid "    " and resid "151 " and name "HD1 ")
      2.700     2.700     0.000 peak 12067 weight  0.10000E+01 volume  0.46920E+01 ppm1      2.987 ppm2      3.292
 ASSI {12069}
     (segid "    " and resid "151 " and name "HD2 ")
     (segid "    " and resid "151 " and name "HG1 ")
      5.000     5.000     0.000 peak 12069 weight  0.10000E+01 volume  0.19120E+01 ppm1      2.990 ppm2      1.829
 ASSI {12070}
     (segid "    " and resid "151 " and name "HD2 ")
     (segid "    " and resid "151 " and name "HG2 ")
      5.000     5.000     0.000 peak 12070 weight  0.10000E+01 volume  0.19560E+01 ppm1      2.987 ppm2      1.760
 ASSI {12071}
     (segid "    " and resid "151 " and name "HG1 ")
     (segid "    " and resid "151 " and name "HA  ")
      5.000     5.000     0.000 peak 12071 weight  0.10000E+01 volume -0.15990E+01 ppm1      1.852 ppm2      4.290
 ASSI {12072}
     (segid "    " and resid "151 " and name "HG2 ")
     (segid "    " and resid "151 " and name "HA  ")
      5.000     5.000     0.000 peak 12072 weight  0.10000E+01 volume -0.17910E+01 ppm1      1.772 ppm2      4.290
 ASSI {12074}
     (segid "    " and resid "153 " and name "HA  ")
     (segid "    " and resid "153 " and name "HB3 ")
      2.700     2.700     0.000 peak 12074 weight  0.10000E+01 volume  0.47350E+01 ppm1      4.774 ppm2      1.370
 OR {12074}
     (segid "    " and resid "153 " and name "HA  ")
     (segid "    " and resid "153 " and name "HB1 ")
 OR {12074}
     (segid "    " and resid "153 " and name "HA  ")
     (segid "    " and resid "153 " and name "HB2 ")
 ASSI {12075}
     (segid "    " and resid "155 " and name "HA  ")
     (segid "    " and resid "155 " and name "HB1 ")
      3.300     3.300     0.000 peak 12075 weight  0.10000E+01 volume  0.22350E+01 ppm1      4.478 ppm2      2.943
 ASSI {12076}
     (segid "    " and resid "155 " and name "HA  ")
     (segid "    " and resid "155 " and name "HB2 ")
      3.300     3.300     0.000 peak 12076 weight  0.10000E+01 volume  0.29650E+01 ppm1      4.477 ppm2      2.864
 ASSI {12079}
     (segid "    " and resid "156 " and name "HA  ")
     (segid "    " and resid "156 " and name "HB1 ")
      5.000     5.000     0.000 peak 12079 weight  0.10000E+01 volume  0.83600E+00 ppm1      4.148 ppm2      2.097
 ASSI {12080}
     (segid "    " and resid "156 " and name "HA  ")
     (segid "    " and resid "156 " and name "HB2 ")
      5.000     5.000     0.000 peak 12080 weight  0.10000E+01 volume  0.93300E+00 ppm1      4.158 ppm2      1.160
 ASSI {12081}
     (segid "    " and resid "156 " and name "HA  ")
     (segid "    " and resid "156 " and name "HD22")
      3.300     3.300     0.000 peak 12081 weight  0.10000E+01 volume  0.26760E+01 ppm1      4.158 ppm2      0.735
 OR {12081}
     (segid "    " and resid "156 " and name "HA  ")
     (segid "    " and resid "156 " and name "HD23")
 OR {12081}
     (segid "    " and resid "156 " and name "HA  ")
     (segid "    " and resid "156 " and name "HD21")
 ASSI {12082}
     (segid "    " and resid "156 " and name "HA  ")
     (segid "    " and resid "156 " and name "HG  ")
      5.000     5.000     0.000 peak 12082 weight  0.10000E+01 volume  0.13430E+01 ppm1      4.151 ppm2      1.877
 ASSI {12085}
     (segid "    " and resid "156 " and name "HB2 ")
     (segid "    " and resid "156 " and name "HB1 ")
      5.000     5.000     0.000 peak 12085 weight  0.10000E+01 volume  0.11530E+01 ppm1      1.170 ppm2      2.084
 ASSI {12088}
     (segid "    " and resid "156 " and name "HB2 ")
     (segid "    " and resid "156 " and name "HD11")
      5.000     5.000     0.000 peak 12088 weight  0.10000E+01 volume  0.11840E+01 ppm1      1.168 ppm2      0.984
 OR {12088}
     (segid "    " and resid "156 " and name "HB2 ")
     (segid "    " and resid "156 " and name "HD12")
 OR {12088}
     (segid "    " and resid "156 " and name "HB2 ")
     (segid "    " and resid "156 " and name "HD13")
 ASSI {12089}
     (segid "    " and resid "156 " and name "HB1 ")
     (segid "    " and resid "156 " and name "HD23")
      5.000     5.000     0.000 peak 12089 weight  0.10000E+01 volume  0.80900E+00 ppm1      2.097 ppm2      0.742
 OR {12089}
     (segid "    " and resid "156 " and name "HB1 ")
     (segid "    " and resid "156 " and name "HD22")
 OR {12089}
     (segid "    " and resid "156 " and name "HB1 ")
     (segid "    " and resid "156 " and name "HD21")
 ASSI {12090}
     (segid "    " and resid "156 " and name "HB2 ")
     (segid "    " and resid "156 " and name "HD22")
      5.000     5.000     0.000 peak 12090 weight  0.10000E+01 volume  0.12210E+01 ppm1      1.160 ppm2      0.747
 OR {12090}
     (segid "    " and resid "156 " and name "HB2 ")
     (segid "    " and resid "156 " and name "HD21")
 OR {12090}
     (segid "    " and resid "156 " and name "HB2 ")
     (segid "    " and resid "156 " and name "HD23")
 ASSI {12091}
     (segid "    " and resid "156 " and name "HB1 ")
     (segid "    " and resid "156 " and name "HG  ")
      5.000     5.000     0.000 peak 12091 weight  0.10000E+01 volume  0.84700E+00 ppm1      2.093 ppm2      1.887
 ASSI {12092}
     (segid "    " and resid "156 " and name "HB2 ")
     (segid "    " and resid "156 " and name "HG  ")
      5.000     5.000     0.000 peak 12092 weight  0.10000E+01 volume  0.61900E+00 ppm1      1.169 ppm2      1.863
 ASSI {12093}
     (segid "    " and resid "156 " and name "HD13")
     (segid "    " and resid "156 " and name "HB1 ")
      3.300     3.300     0.000 peak 12093 weight  0.10000E+01 volume -0.31170E+01 ppm1      0.995 ppm2      2.103
 OR {12093}
     (segid "    " and resid "156 " and name "HD11")
     (segid "    " and resid "156 " and name "HB1 ")
 OR {12093}
     (segid "    " and resid "156 " and name "HD12")
     (segid "    " and resid "156 " and name "HB1 ")
 ASSI {12094}
     (segid "    " and resid "156 " and name "HD22")
     (segid "    " and resid "156 " and name "HD12")
      2.700     2.700     0.000 peak 12094 weight  0.10000E+01 volume -0.16602E+02 ppm1      0.735 ppm2      0.994
 OR {12094}
     (segid "    " and resid "156 " and name "HD21")
     (segid "    " and resid "156 " and name "HD11")
 OR {12094}
     (segid "    " and resid "156 " and name "HD21")
     (segid "    " and resid "156 " and name "HD13")
 OR {12094}
     (segid "    " and resid "156 " and name "HD23")
     (segid "    " and resid "156 " and name "HD11")
 OR {12094}
     (segid "    " and resid "156 " and name "HD21")
     (segid "    " and resid "156 " and name "HD12")
 OR {12094}
     (segid "    " and resid "156 " and name "HD23")
     (segid "    " and resid "156 " and name "HD13")
 OR {12094}
     (segid "    " and resid "156 " and name "HD22")
     (segid "    " and resid "156 " and name "HD11")
 OR {12094}
     (segid "    " and resid "156 " and name "HD22")
     (segid "    " and resid "156 " and name "HD13")
 OR {12094}
     (segid "    " and resid "156 " and name "HD23")
     (segid "    " and resid "156 " and name "HD12")
 ASSI {12095}
     (segid "    " and resid "157 " and name "HA  ")
     (segid "    " and resid "157 " and name "HB1 ")
      3.300     3.300     0.000 peak 12095 weight  0.10000E+01 volume -0.21600E+01 ppm1      3.711 ppm2      2.281
 ASSI {12096}
     (segid "    " and resid "157 " and name "HA  ")
     (segid "    " and resid "157 " and name "HB2 ")
      5.000     5.000     0.000 peak 12096 weight  0.10000E+01 volume -0.19720E+01 ppm1      3.709 ppm2      2.171
 ASSI {12099}
     (segid "    " and resid "158 " and name "HA  ")
     (segid "    " and resid "158 " and name "HB1 ")
      5.000     5.000     0.000 peak 12099 weight  0.10000E+01 volume  0.13470E+01 ppm1      4.344 ppm2      2.791
 ASSI {12100}
     (segid "    " and resid "158 " and name "HA  ")
     (segid "    " and resid "158 " and name "HB2 ")
      5.000     5.000     0.000 peak 12100 weight  0.10000E+01 volume  0.19340E+01 ppm1      4.345 ppm2      2.676
 ASSI {12103}
     (segid "    " and resid "158 " and name "HB2 ")
     (segid "    " and resid "158 " and name "HB1 ")
      2.700     2.700     0.000 peak 12103 weight  0.10000E+01 volume  0.43030E+01 ppm1      2.667 ppm2      2.792
 ASSI {12106}
     (segid "    " and resid "159 " and name "HA  ")
     (segid "    " and resid "159 " and name "HB  ")
      5.000     5.000     0.000 peak 12106 weight  0.10000E+01 volume -0.11020E+01 ppm1      3.766 ppm2      1.862
 ASSI {12107}
     (segid "    " and resid "159 " and name "HA  ")
     (segid "    " and resid "159 " and name "HG11")
      5.000     5.000     0.000 peak 12107 weight  0.10000E+01 volume -0.14760E+01 ppm1      3.761 ppm2      1.940
 ASSI {12108}
     (segid "    " and resid "159 " and name "HA  ")
     (segid "    " and resid "159 " and name "HG12")
      5.000     5.000     0.000 peak 12108 weight  0.10000E+01 volume -0.14920E+01 ppm1      3.765 ppm2      1.144
 ASSI {12111}
     (segid "    " and resid "159 " and name "HB  ")
     (segid "    " and resid "159 " and name "HG12")
      5.000     5.000     0.000 peak 12111 weight  0.10000E+01 volume  0.60600E+00 ppm1      1.867 ppm2      1.143
 ASSI {12112}
     (segid "    " and resid "159 " and name "HD13")
     (segid "    " and resid "159 " and name "HA  ")
      5.000     5.000     0.000 peak 12112 weight  0.10000E+01 volume -0.16810E+01 ppm1      0.909 ppm2      3.772
 OR {12112}
     (segid "    " and resid "159 " and name "HD12")
     (segid "    " and resid "159 " and name "HA  ")
 OR {12112}
     (segid "    " and resid "159 " and name "HD11")
     (segid "    " and resid "159 " and name "HA  ")
 ASSI {12115}
     (segid "    " and resid "159 " and name "HG12")
     (segid "    " and resid "159 " and name "HG11")
      3.300     3.300     0.000 peak 12115 weight  0.10000E+01 volume -0.28190E+01 ppm1      1.150 ppm2      1.936
 ASSI {12117}
     (segid "    " and resid "159 " and name "HG22")
     (segid "    " and resid "159 " and name "HG12")
      2.700     2.700     0.000 peak 12117 weight  0.10000E+01 volume -0.41410E+01 ppm1      0.899 ppm2      1.139
 OR {12117}
     (segid "    " and resid "159 " and name "HG23")
     (segid "    " and resid "159 " and name "HG12")
 OR {12117}
     (segid "    " and resid "159 " and name "HG21")
     (segid "    " and resid "159 " and name "HG12")
 ASSI {12118}
     (segid "    " and resid "160 " and name "HA  ")
     (segid "    " and resid "160 " and name "HB1 ")
      3.300     3.300     0.000 peak 12118 weight  0.10000E+01 volume  0.21600E+01 ppm1      3.886 ppm2      1.957
 ASSI {12119}
     (segid "    " and resid "160 " and name "HA  ")
     (segid "    " and resid "160 " and name "HB2 ")
      3.300     3.300     0.000 peak 12119 weight  0.10000E+01 volume  0.21670E+01 ppm1      3.894 ppm2      1.285
 ASSI {12120}
     (segid "    " and resid "160 " and name "HA  ")
     (segid "    " and resid "160 " and name "HG  ")
      3.300     3.300     0.000 peak 12120 weight  0.10000E+01 volume  0.22910E+01 ppm1      3.892 ppm2      1.782
 ASSI {12123}
     (segid "    " and resid "160 " and name "HB2 ")
     (segid "    " and resid "160 " and name "HB1 ")
      5.000     5.000     0.000 peak 12123 weight  0.10000E+01 volume  0.11970E+01 ppm1      1.291 ppm2      1.959
 ASSI {12125}
     (segid "    " and resid "160 " and name "HB1 ")
     (segid "    " and resid "160 " and name "HD13")
      5.000     5.000     0.000 peak 12125 weight  0.10000E+01 volume  0.82100E+00 ppm1      1.945 ppm2      0.637
 OR {12125}
     (segid "    " and resid "160 " and name "HB1 ")
     (segid "    " and resid "160 " and name "HD12")
 OR {12125}
     (segid "    " and resid "160 " and name "HB1 ")
     (segid "    " and resid "160 " and name "HD11")
 ASSI {12126}
     (segid "    " and resid "160 " and name "HB2 ")
     (segid "    " and resid "160 " and name "HD11")
      5.000     5.000     0.000 peak 12126 weight  0.10000E+01 volume  0.83600E+00 ppm1      1.292 ppm2      0.638
 OR {12126}
     (segid "    " and resid "160 " and name "HB2 ")
     (segid "    " and resid "160 " and name "HD12")
 OR {12126}
     (segid "    " and resid "160 " and name "HB2 ")
     (segid "    " and resid "160 " and name "HD13")
 ASSI {12128}
     (segid "    " and resid "160 " and name "HB1 ")
     (segid "    " and resid "160 " and name "HG  ")
      5.000     5.000     0.000 peak 12128 weight  0.10000E+01 volume  0.79000E+00 ppm1      1.942 ppm2      1.781
 ASSI {12129}
     (segid "    " and resid "160 " and name "HB2 ")
     (segid "    " and resid "160 " and name "HG  ")
      5.000     5.000     0.000 peak 12129 weight  0.10000E+01 volume  0.85600E+00 ppm1      1.274 ppm2      1.781
 ASSI {12130}
     (segid "    " and resid "160 " and name "HD22")
     (segid "    " and resid "160 " and name "HB2 ")
      3.300     3.300     0.000 peak 12130 weight  0.10000E+01 volume -0.33000E+01 ppm1      0.752 ppm2      1.290
 OR {12130}
     (segid "    " and resid "160 " and name "HD23")
     (segid "    " and resid "160 " and name "HB2 ")
 OR {12130}
     (segid "    " and resid "160 " and name "HD21")
     (segid "    " and resid "160 " and name "HB2 ")
 ASSI {12131}
     (segid "    " and resid "161 " and name "HB1 ")
     (segid "    " and resid "161 " and name "HA  ")
      2.700     2.700     0.000 peak 12131 weight  0.10000E+01 volume -0.44150E+01 ppm1      2.207 ppm2      4.021
 ASSI {12132}
     (segid "    " and resid "161 " and name "HB2 ")
     (segid "    " and resid "161 " and name "HA  ")
      3.300     3.300     0.000 peak 12132 weight  0.10000E+01 volume -0.35770E+01 ppm1      2.127 ppm2      4.021
 ASSI {12133}
     (segid "    " and resid "161 " and name "HG1 ")
     (segid "    " and resid "161 " and name "HA  ")
      5.000     5.000     0.000 peak 12133 weight  0.10000E+01 volume  0.43500E+00 ppm1      2.536 ppm2      4.020
 ASSI {12134}
     (segid "    " and resid "161 " and name "HG2 ")
     (segid "    " and resid "161 " and name "HA  ")
      5.000     5.000     0.000 peak 12134 weight  0.10000E+01 volume  0.97300E+00 ppm1      2.368 ppm2      4.015
 ASSI {12135}
     (segid "    " and resid "163 " and name "HA  ")
     (segid "    " and resid "163 " and name "HB1 ")
      5.000     5.000     0.000 peak 12135 weight  0.10000E+01 volume  0.15160E+01 ppm1      4.636 ppm2      3.261
 ASSI {12136}
     (segid "    " and resid "163 " and name "HA  ")
     (segid "    " and resid "163 " and name "HB2 ")
      5.000     5.000     0.000 peak 12136 weight  0.10000E+01 volume  0.13570E+01 ppm1      4.634 ppm2      2.718
 ASSI {12137}
     (segid "    " and resid "163 " and name "HA  ")
     (segid "    " and resid "163 " and name "HD2 ")
      6.000     6.000     0.000 peak 12137 weight  0.10000E+01 volume  0.15000E+00 ppm1      4.636 ppm2      7.029
 ASSI {12140}
     (segid "    " and resid "163 " and name "HB2 ")
     (segid "    " and resid "163 " and name "HB1 ")
      5.000     5.000     0.000 peak 12140 weight  0.10000E+01 volume -0.88700E+00 ppm1      2.725 ppm2      3.263
 ASSI {12142}
     (segid "    " and resid "163 " and name "HB2 ")
     (segid "    " and resid "163 " and name "HD2 ")
      6.000     6.000     0.000 peak 12142 weight  0.10000E+01 volume -0.70000E-01 ppm1      2.720 ppm2      7.020
 ASSI {12143}
     (segid "    " and resid "164 " and name "HA  ")
     (segid "    " and resid "164 " and name "HG1 ")
      5.000     5.000     0.000 peak 12143 weight  0.10000E+01 volume  0.14300E+01 ppm1      4.503 ppm2      2.705
 ASSI {12144}
     (segid "    " and resid "164 " and name "HB1 ")
     (segid "    " and resid "164 " and name "HA  ")
      5.000     5.000     0.000 peak 12144 weight  0.10000E+01 volume  0.98400E+00 ppm1      2.308 ppm2      4.498
 ASSI {12145}
     (segid "    " and resid "164 " and name "HB2 ")
     (segid "    " and resid "164 " and name "HA  ")
      5.000     5.000     0.000 peak 12145 weight  0.10000E+01 volume  0.67400E+00 ppm1      1.941 ppm2      4.498
 ASSI {12146}
     (segid "    " and resid "164 " and name "HB1 ")
     (segid "    " and resid "164 " and name "HG1 ")
      5.000     5.000     0.000 peak 12146 weight  0.10000E+01 volume  0.92400E+00 ppm1      2.306 ppm2      2.696
 ASSI {12147}
     (segid "    " and resid "164 " and name "HB2 ")
     (segid "    " and resid "164 " and name "HG1 ")
      5.000     5.000     0.000 peak 12147 weight  0.10000E+01 volume  0.58800E+00 ppm1      1.946 ppm2      2.702
 ASSI {12149}
     (segid "    " and resid "164 " and name "HG2 ")
     (segid "    " and resid "164 " and name "HA  ")
      5.000     5.000     0.000 peak 12149 weight  0.10000E+01 volume -0.63300E+00 ppm1      2.357 ppm2      4.505
 ASSI {12151}
     (segid "    " and resid "164 " and name "HG1 ")
     (segid "    " and resid "164 " and name "HG2 ")
      3.300     3.300     0.000 peak 12151 weight  0.10000E+01 volume -0.31450E+01 ppm1      2.706 ppm2      2.356
 ASSI {12152}
     (segid "    " and resid "166 " and name "HA  ")
     (segid "    " and resid "166 " and name "HB  ")
      5.000     5.000     0.000 peak 12152 weight  0.10000E+01 volume  0.54600E+00 ppm1      4.525 ppm2      1.912
 ASSI {12153}
     (segid "    " and resid "166 " and name "HA  ")
     (segid "    " and resid "166 " and name "HD11")
      5.000     5.000     0.000 peak 12153 weight  0.10000E+01 volume  0.46200E+00 ppm1      4.519 ppm2      0.900
 OR {12153}
     (segid "    " and resid "166 " and name "HA  ")
     (segid "    " and resid "166 " and name "HD13")
 OR {12153}
     (segid "    " and resid "166 " and name "HA  ")
     (segid "    " and resid "166 " and name "HD12")
 ASSI {12154}
     (segid "    " and resid "166 " and name "HA  ")
     (segid "    " and resid "166 " and name "HG11")
      6.000     6.000     0.000 peak 12154 weight  0.10000E+01 volume  0.24800E+00 ppm1      4.524 ppm2      1.559
 ASSI {12155}
     (segid "    " and resid "166 " and name "HA  ")
     (segid "    " and resid "166 " and name "HG12")
      5.000     5.000     0.000 peak 12155 weight  0.10000E+01 volume  0.39600E+00 ppm1      4.524 ppm2      1.230
 ASSI {12156}
     (segid "    " and resid "166 " and name "HA  ")
     (segid "    " and resid "166 " and name "HG21")
      5.000     5.000     0.000 peak 12156 weight  0.10000E+01 volume  0.96200E+00 ppm1      4.525 ppm2      0.995
 OR {12156}
     (segid "    " and resid "166 " and name "HA  ")
     (segid "    " and resid "166 " and name "HG23")
 OR {12156}
     (segid "    " and resid "166 " and name "HA  ")
     (segid "    " and resid "166 " and name "HG22")
 ASSI {12158}
     (segid "    " and resid "166 " and name "HB  ")
     (segid "    " and resid "166 " and name "HG11")
      5.000     5.000     0.000 peak 12158 weight  0.10000E+01 volume  0.79600E+00 ppm1      1.912 ppm2      1.570
 ASSI {12159}
     (segid "    " and resid "166 " and name "HB  ")
     (segid "    " and resid "166 " and name "HG12")
      5.000     5.000     0.000 peak 12159 weight  0.10000E+01 volume  0.44100E+00 ppm1      1.915 ppm2      1.227
 ASSI {12160}
     (segid "    " and resid "166 " and name "HB  ")
     (segid "    " and resid "166 " and name "HG21")
      5.000     5.000     0.000 peak 12160 weight  0.10000E+01 volume  0.18170E+01 ppm1      1.915 ppm2      0.996
 OR {12160}
     (segid "    " and resid "166 " and name "HB  ")
     (segid "    " and resid "166 " and name "HG22")
 OR {12160}
     (segid "    " and resid "166 " and name "HB  ")
     (segid "    " and resid "166 " and name "HG23")
 ASSI {12164}
     (segid "    " and resid "167 " and name "HD2 ")
     (segid "    " and resid "166 " and name "HA  ")
      5.000     5.000     0.000 peak 12164 weight  0.10000E+01 volume  0.16770E+01 ppm1      3.732 ppm2      4.523
 ASSI {12165}
     (segid "    " and resid "167 " and name "HD1 ")
     (segid "    " and resid "166 " and name "HB  ")
      5.000     5.000     0.000 peak 12165 weight  0.10000E+01 volume  0.32400E+00 ppm1      3.938 ppm2      1.896
 ASSI {12166}
     (segid "    " and resid "167 " and name "HD2 ")
     (segid "    " and resid "166 " and name "HB  ")
      5.000     5.000     0.000 peak 12166 weight  0.10000E+01 volume  0.44000E+00 ppm1      3.727 ppm2      1.897
 ASSI {12167}
     (segid "    " and resid "167 " and name "HD1 ")
     (segid "    " and resid "166 " and name "HG22")
      6.000     6.000     0.000 peak 12167 weight  0.10000E+01 volume  0.23600E+00 ppm1      3.942 ppm2      0.990
 OR {12167}
     (segid "    " and resid "167 " and name "HD1 ")
     (segid "    " and resid "166 " and name "HG21")
 OR {12167}
     (segid "    " and resid "167 " and name "HD1 ")
     (segid "    " and resid "166 " and name "HG23")
 ASSI {12168}
     (segid "    " and resid "167 " and name "HD2 ")
     (segid "    " and resid "166 " and name "HG22")
      5.000     5.000     0.000 peak 12168 weight  0.10000E+01 volume  0.31700E+00 ppm1      3.730 ppm2      0.996
 OR {12168}
     (segid "    " and resid "167 " and name "HD2 ")
     (segid "    " and resid "166 " and name "HG21")
 OR {12168}
     (segid "    " and resid "167 " and name "HD2 ")
     (segid "    " and resid "166 " and name "HG23")
 ASSI { 5572}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HB1 ")
      2.700     2.700     0.000 peak  5572 weight  0.10000E+01 volume  0.44930E+01 ppm1      4.377 ppm2      1.630
 OR { 5572}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HB2 ")
 ASSI { 5573}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD21")
      2.700     2.700     0.000 peak  5573 weight  0.10000E+01 volume -0.44750E+01 ppm1      4.377 ppm2      0.898
 OR { 5573}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD22")
 OR { 5573}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD23")
 ASSI { 5574}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG  ")
      5.000     5.000     0.000 peak  5574 weight  0.10000E+01 volume -0.85400E+00 ppm1      4.377 ppm2      1.619
 ASSI { 5575}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "5   " and name "HB1 ")
      2.700     2.700     0.000 peak  5575 weight  0.10000E+01 volume -0.68800E+01 ppm1      0.953 ppm2      1.650
 OR { 5575}
     (segid "    " and resid "5   " and name "HD11")
     (segid "    " and resid "5   " and name "HB2 ")
 OR { 5575}
     (segid "    " and resid "5   " and name "HD13")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 5575}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 5575}
     (segid "    " and resid "5   " and name "HD12")
     (segid "    " and resid "5   " and name "HB2 ")
 OR { 5575}
     (segid "    " and resid "5   " and name "HD13")
     (segid "    " and resid "5   " and name "HB2 ")
 ASSI { 5576}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "5   " and name "HB1 ")
      3.300     3.300     0.000 peak  5576 weight  0.10000E+01 volume -0.34770E+01 ppm1      0.890 ppm2      1.618
 OR { 5576}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "5   " and name "HB2 ")
 OR { 5576}
     (segid "    " and resid "5   " and name "HD21")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 5576}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "5   " and name "HB1 ")
 OR { 5576}
     (segid "    " and resid "5   " and name "HD23")
     (segid "    " and resid "5   " and name "HB2 ")
 OR { 5576}
     (segid "    " and resid "5   " and name "HD22")
     (segid "    " and resid "5   " and name "HB2 ")
 ASSI { 5577}
     (segid "    " and resid "5   " and name "HG  ")
     (segid "    " and resid "5   " and name "HB1 ")
      2.700     2.700     0.000 peak  5577 weight  0.10000E+01 volume -0.29395E+02 ppm1      1.630 ppm2      1.630
 OR { 5577}
     (segid "    " and resid "5   " and name "HG  ")
     (segid "    " and resid "5   " and name "HB2 ")
 ASSI {12937}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "10  " and name "HG22")
      5.000     5.000     0.000 peak 12937 weight  0.10000E+01 volume  0.68700E+00 ppm1      3.900 ppm2      1.123
 OR {12937}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "10  " and name "HG21")
 OR {12937}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "10  " and name "HG23")
 ASSI { 5583}
     (segid "    " and resid "10  " and name "HB  ")
     (segid "    " and resid "10  " and name "HG23")
      5.000     5.000     0.000 peak  5583 weight  0.10000E+01 volume  0.15370E+01 ppm1      2.286 ppm2      1.123
 OR { 5583}
     (segid "    " and resid "10  " and name "HB  ")
     (segid "    " and resid "10  " and name "HG21")
 OR { 5583}
     (segid "    " and resid "10  " and name "HB  ")
     (segid "    " and resid "10  " and name "HG22")
 ASSI { 5591}
     (segid "    " and resid "13  " and name "HD1 ")
     (segid "    " and resid "10  " and name "HA  ")
      6.000     6.000     0.000 peak  5591 weight  0.10000E+01 volume -0.20700E+00 ppm1      3.171 ppm2      3.907
 OR { 5591}
     (segid "    " and resid "13  " and name "HD2 ")
     (segid "    " and resid "10  " and name "HA  ")
 ASSI { 5596}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HB2 ")
      6.000     6.000     0.000 peak  5596 weight  0.10000E+01 volume  0.22000E+00 ppm1      4.078 ppm2      1.422
 ASSI { 5515}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "17  " and name "HB3 ")
      6.000     6.000     0.000 peak  5515 weight  0.10000E+01 volume -0.25500E+00 ppm1      4.091 ppm2      1.496
 OR { 5515}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "17  " and name "HB1 ")
 OR { 5515}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "17  " and name "HB2 ")
 ASSI { 5597}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "29  " and name "HD11")
      5.000     5.000     0.000 peak  5597 weight  0.10000E+01 volume -0.90400E+00 ppm1      4.083 ppm2      0.769
 OR { 5597}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "29  " and name "HD12")
 OR { 5597}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "29  " and name "HD13")
 ASSI { 5598}
     (segid "    " and resid "16  " and name "HA2 ")
     (segid "    " and resid "19  " and name "HB2 ")
      5.000     5.000     0.000 peak  5598 weight  0.10000E+01 volume -0.44800E+00 ppm1      3.858 ppm2      1.571
 OR { 5598}
     (segid "    " and resid "16  " and name "HA2 ")
     (segid "    " and resid "19  " and name "HB3 ")
 OR { 5598}
     (segid "    " and resid "16  " and name "HA2 ")
     (segid "    " and resid "19  " and name "HB1 ")
 ASSI { 5602}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HG21")
      5.000     5.000     0.000 peak  5602 weight  0.10000E+01 volume  0.92200E+00 ppm1      1.314 ppm2      0.908
 OR { 5602}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HG23")
 OR { 5602}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HG21")
 OR { 5602}
     (segid "    " and resid "18  " and name "HB3 ")
     (segid "    " and resid "50  " and name "HG21")
 OR { 5602}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HG22")
 OR { 5602}
     (segid "    " and resid "18  " and name "HB3 ")
     (segid "    " and resid "50  " and name "HG22")
 OR { 5602}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HG22")
 OR { 5602}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HG23")
 OR { 5602}
     (segid "    " and resid "18  " and name "HB3 ")
     (segid "    " and resid "50  " and name "HG23")
 ASSI { 5604}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HB1 ")
      6.000     6.000     0.000 peak  5604 weight  0.10000E+01 volume -0.25200E+00 ppm1      1.324 ppm2      1.986
 OR { 5604}
     (segid "    " and resid "18  " and name "HB3 ")
     (segid "    " and resid "51  " and name "HB1 ")
 OR { 5604}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HB1 ")
 ASSI { 5605}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HB2 ")
      5.000     5.000     0.000 peak  5605 weight  0.10000E+01 volume -0.33100E+00 ppm1      1.324 ppm2      1.451
 OR { 5605}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HB2 ")
 OR { 5605}
     (segid "    " and resid "18  " and name "HB3 ")
     (segid "    " and resid "51  " and name "HB2 ")
 ASSI { 5609}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HA1 ")
      5.000     5.000     0.000 peak  5609 weight  0.10000E+01 volume -0.34500E+00 ppm1      1.544 ppm2      3.928
 OR { 5609}
     (segid "    " and resid "19  " and name "HB3 ")
     (segid "    " and resid "16  " and name "HA1 ")
 OR { 5609}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "16  " and name "HA1 ")
 ASSI {13076}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "20  " and name "HG1 ")
      6.000     6.000     0.000 peak 13076 weight  0.10000E+01 volume -0.29800E+00 ppm1      4.515 ppm2      1.921
 ASSI {13078}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "20  " and name "HG2 ")
      5.000     5.000     0.000 peak 13078 weight  0.10000E+01 volume -0.51000E+00 ppm1      4.514 ppm2      1.802
 ASSI { 5616}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "26  " and name "HB  ")
      5.000     5.000     0.000 peak  5616 weight  0.10000E+01 volume  0.98900E+00 ppm1      3.368 ppm2      2.177
 ASSI { 5617}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "24  " and name "HG2 ")
      6.000     6.000     0.000 peak  5617 weight  0.10000E+01 volume -0.19900E+00 ppm1      0.940 ppm2      2.463
 OR { 5617}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "24  " and name "HG2 ")
 OR { 5617}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "24  " and name "HG2 ")
 ASSI { 5618}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "24  " and name "HG1 ")
      5.000     5.000     0.000 peak  5618 weight  0.10000E+01 volume -0.37000E+00 ppm1      0.916 ppm2      2.482
 OR { 5618}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "24  " and name "HG2 ")
 OR { 5618}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "24  " and name "HG1 ")
 OR { 5618}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "24  " and name "HG1 ")
 OR { 5618}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "24  " and name "HG2 ")
 OR { 5618}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "24  " and name "HG2 ")
 ASSI {12908}
     (segid "    " and resid "25  " and name "HG2 ")
     (segid "    " and resid "17  " and name "HB3 ")
      6.000     6.000     0.000 peak 12908 weight  0.10000E+01 volume -0.22100E+00 ppm1      2.131 ppm2      1.518
 OR {12908}
     (segid "    " and resid "25  " and name "HG2 ")
     (segid "    " and resid "17  " and name "HB2 ")
 OR {12908}
     (segid "    " and resid "25  " and name "HG2 ")
     (segid "    " and resid "17  " and name "HB1 ")
 ASSI { 5434}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     6.000     0.000 peak  5434 weight  0.10000E+01 volume  0.22800E+00 ppm1      6.955 ppm2      3.684
 ASSI {13061}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB2 ")
      5.000     5.000     0.000 peak 13061 weight  0.10000E+01 volume -0.42500E+00 ppm1      4.480 ppm2      2.339
 ASSI { 5656}
     (segid "    " and resid "37  " and name "HA  ")
     (segid "    " and resid "14  " and name "HD13")
      5.000     5.000     0.000 peak  5656 weight  0.10000E+01 volume  0.55000E+00 ppm1      4.101 ppm2      0.990
 OR { 5656}
     (segid "    " and resid "37  " and name "HA  ")
     (segid "    " and resid "14  " and name "HD12")
 OR { 5656}
     (segid "    " and resid "37  " and name "HA  ")
     (segid "    " and resid "14  " and name "HD11")
 ASSI { 5670}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HB1 ")
      5.000     5.000     0.000 peak  5670 weight  0.10000E+01 volume -0.76500E+00 ppm1      4.160 ppm2      1.962
 ASSI {13034}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "45  " and name "HG1 ")
      6.000     6.000     0.000 peak 13034 weight  0.10000E+01 volume -0.26500E+00 ppm1      2.950 ppm2      1.386
 OR {13034}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "45  " and name "HG1 ")
 ASSI {12864}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "45  " and name "HG2 ")
      6.000     6.000     0.000 peak 12864 weight  0.10000E+01 volume -0.27700E+00 ppm1      2.947 ppm2      1.345
 OR {12864}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "45  " and name "HG2 ")
 ASSI {13036}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak 13036 weight  0.10000E+01 volume -0.80000E-01 ppm1      1.390 ppm2      4.825
 ASSI { 5674}
     (segid "    " and resid "47  " and name "HA  ")
     (segid "    " and resid "50  " and name "HG23")
      5.000     5.000     0.000 peak  5674 weight  0.10000E+01 volume -0.11340E+01 ppm1      4.031 ppm2      0.922
 OR { 5674}
     (segid "    " and resid "47  " and name "HA  ")
     (segid "    " and resid "50  " and name "HG22")
 OR { 5674}
     (segid "    " and resid "47  " and name "HA  ")
     (segid "    " and resid "50  " and name "HG21")
 ASSI { 5676}
     (segid "    " and resid "47  " and name "HB1 ")
     (segid "    " and resid "14  " and name "HD13")
      5.000     5.000     0.000 peak  5676 weight  0.10000E+01 volume  0.84800E+00 ppm1      1.251 ppm2      1.009
 OR { 5676}
     (segid "    " and resid "47  " and name "HB2 ")
     (segid "    " and resid "14  " and name "HD11")
 OR { 5676}
     (segid "    " and resid "47  " and name "HB1 ")
     (segid "    " and resid "14  " and name "HD11")
 OR { 5676}
     (segid "    " and resid "47  " and name "HB3 ")
     (segid "    " and resid "14  " and name "HD11")
 OR { 5676}
     (segid "    " and resid "47  " and name "HB2 ")
     (segid "    " and resid "14  " and name "HD13")
 OR { 5676}
     (segid "    " and resid "47  " and name "HB2 ")
     (segid "    " and resid "14  " and name "HD12")
 OR { 5676}
     (segid "    " and resid "47  " and name "HB1 ")
     (segid "    " and resid "14  " and name "HD12")
 OR { 5676}
     (segid "    " and resid "47  " and name "HB3 ")
     (segid "    " and resid "14  " and name "HD12")
 OR { 5676}
     (segid "    " and resid "47  " and name "HB3 ")
     (segid "    " and resid "14  " and name "HD13")
 ASSI { 5677}
     (segid "    " and resid "47  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HG21")
      5.000     5.000     0.000 peak  5677 weight  0.10000E+01 volume  0.10200E+01 ppm1      1.256 ppm2      0.909
 OR { 5677}
     (segid "    " and resid "47  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HG23")
 OR { 5677}
     (segid "    " and resid "47  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HG23")
 OR { 5677}
     (segid "    " and resid "47  " and name "HB3 ")
     (segid "    " and resid "50  " and name "HG23")
 OR { 5677}
     (segid "    " and resid "47  " and name "HB3 ")
     (segid "    " and resid "50  " and name "HG22")
 OR { 5677}
     (segid "    " and resid "47  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HG22")
 OR { 5677}
     (segid "    " and resid "47  " and name "HB3 ")
     (segid "    " and resid "50  " and name "HG21")
 OR { 5677}
     (segid "    " and resid "47  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HG22")
 OR { 5677}
     (segid "    " and resid "47  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HG21")
 ASSI { 5550}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "71  " and name "HG23")
      6.000     6.000     0.000 peak  5550 weight  0.10000E+01 volume -0.13300E+00 ppm1      2.704 ppm2      0.871
 OR { 5550}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "71  " and name "HG22")
 OR { 5550}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "71  " and name "HG21")
 ASSI { 5551}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HG21")
      6.000     6.000     0.000 peak  5551 weight  0.10000E+01 volume -0.13800E+00 ppm1      2.226 ppm2      0.848
 OR { 5551}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HG22")
 OR { 5551}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HG23")
 ASSI { 5694}
     (segid "    " and resid "51  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HA  ")
      6.000     6.000     0.000 peak  5694 weight  0.10000E+01 volume -0.14700E+00 ppm1      1.690 ppm2      3.784
 OR { 5694}
     (segid "    " and resid "51  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HA  ")
 OR { 5694}
     (segid "    " and resid "51  " and name "HE3 ")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 5698}
     (segid "    " and resid "51  " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD1 ")
      6.000     6.000     0.000 peak  5698 weight  0.10000E+01 volume  0.12900E+00 ppm1      1.691 ppm2      7.195
 OR { 5698}
     (segid "    " and resid "51  " and name "HE1 ")
     (segid "    " and resid "53  " and name "HD1 ")
 OR { 5698}
     (segid "    " and resid "51  " and name "HE3 ")
     (segid "    " and resid "53  " and name "HD2 ")
 OR { 5698}
     (segid "    " and resid "51  " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD2 ")
 OR { 5698}
     (segid "    " and resid "51  " and name "HE1 ")
     (segid "    " and resid "53  " and name "HD2 ")
 OR { 5698}
     (segid "    " and resid "51  " and name "HE3 ")
     (segid "    " and resid "53  " and name "HD1 ")
 ASSI { 5699}
     (segid "    " and resid "51  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HA  ")
      6.000     6.000     0.000 peak  5699 weight  0.10000E+01 volume -0.11600E+00 ppm1      1.691 ppm2      3.741
 OR { 5699}
     (segid "    " and resid "51  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HA  ")
 OR { 5699}
     (segid "    " and resid "51  " and name "HE3 ")
     (segid "    " and resid "59  " and name "HA  ")
 ASSI { 5705}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "52  " and name "HE1 ")
      6.000     6.000     0.000 peak  5705 weight  0.10000E+01 volume  0.27000E+00 ppm1      2.554 ppm2      2.093
 OR { 5705}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "52  " and name "HE3 ")
 OR { 5705}
     (segid "    " and resid "52  " and name "HG1 ")
     (segid "    " and resid "52  " and name "HE2 ")
 OR { 5705}
     (segid "    " and resid "52  " and name "HG1 ")
     (segid "    " and resid "52  " and name "HE3 ")
 OR { 5705}
     (segid "    " and resid "52  " and name "HG1 ")
     (segid "    " and resid "52  " and name "HE1 ")
 OR { 5705}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "52  " and name "HE2 ")
 ASSI { 5709}
     (segid "    " and resid "56  " and name "HG1 ")
     (segid "    " and resid "56  " and name "HA  ")
      5.000     5.000     0.000 peak  5709 weight  0.10000E+01 volume  0.51600E+00 ppm1      2.054 ppm2      4.308
 OR { 5709}
     (segid "    " and resid "56  " and name "HG2 ")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 5720}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HA  ")
      5.000     5.000     0.000 peak  5720 weight  0.10000E+01 volume  0.34600E+00 ppm1      1.319 ppm2      4.330
 OR { 5720}
     (segid "    " and resid "59  " and name "HB3 ")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 5720}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 5722}
     (segid "    " and resid "60  " and name "HD12")
     (segid "    " and resid "64  " and name "HE1 ")
      5.000     5.000     0.000 peak  5722 weight  0.10000E+01 volume -0.50000E+00 ppm1      0.965 ppm2      2.988
 OR { 5722}
     (segid "    " and resid "60  " and name "HD11")
     (segid "    " and resid "64  " and name "HE1 ")
 OR { 5722}
     (segid "    " and resid "60  " and name "HD12")
     (segid "    " and resid "64  " and name "HE2 ")
 OR { 5722}
     (segid "    " and resid "60  " and name "HD11")
     (segid "    " and resid "64  " and name "HE2 ")
 OR { 5722}
     (segid "    " and resid "60  " and name "HD13")
     (segid "    " and resid "64  " and name "HE1 ")
 OR { 5722}
     (segid "    " and resid "60  " and name "HD13")
     (segid "    " and resid "64  " and name "HE2 ")
 ASSI {12947}
     (segid "    " and resid "78  " and name "HA  ")
     (segid "    " and resid "79  " and name "HD1 ")
      6.000     6.000     0.000 peak 12947 weight  0.10000E+01 volume  0.13500E+00 ppm1      5.873 ppm2      4.319
 OR {12947}
     (segid "    " and resid "78  " and name "HA  ")
     (segid "    " and resid "79  " and name "HD2 ")
 ASSI {12919}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "71  " and name "HG22")
      5.000     5.000     0.000 peak 12919 weight  0.10000E+01 volume -0.30600E+00 ppm1      4.325 ppm2      0.845
 OR {12919}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "71  " and name "HG23")
 OR {12919}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "71  " and name "HG21")
 OR {12919}
     (segid "    " and resid "79  " and name "HD2 ")
     (segid "    " and resid "71  " and name "HG22")
 OR {12919}
     (segid "    " and resid "79  " and name "HD2 ")
     (segid "    " and resid "71  " and name "HG23")
 OR {12919}
     (segid "    " and resid "79  " and name "HD2 ")
     (segid "    " and resid "71  " and name "HG21")
 ASSI {12951}
     (segid "    " and resid "79  " and name "HD2 ")
     (segid "    " and resid "78  " and name "HB1 ")
      6.000     6.000     0.000 peak 12951 weight  0.10000E+01 volume -0.25700E+00 ppm1      4.319 ppm2      4.449
 OR {12951}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "78  " and name "HB1 ")
 ASSI {12920}
     (segid "    " and resid "79  " and name "HD2 ")
     (segid "    " and resid "78  " and name "HB2 ")
      5.000     5.000     0.000 peak 12920 weight  0.10000E+01 volume -0.35500E+00 ppm1      4.319 ppm2      4.292
 OR {12920}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "78  " and name "HB2 ")
 ASSI {12952}
     (segid "    " and resid "79  " and name "HD2 ")
     (segid "    " and resid "79  " and name "HG2 ")
      6.000     6.000     0.000 peak 12952 weight  0.10000E+01 volume -0.14500E+00 ppm1      4.319 ppm2      1.995
 OR {12952}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "79  " and name "HG1 ")
 OR {12952}
     (segid "    " and resid "79  " and name "HD2 ")
     (segid "    " and resid "79  " and name "HG1 ")
 OR {12952}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "79  " and name "HG2 ")
 ASSI {13000}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "80  " and name "HG11")
      3.300     3.300     0.000 peak 13000 weight  0.10000E+01 volume  0.26930E+01 ppm1      3.690 ppm2      0.879
 OR {13000}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "80  " and name "HG12")
 OR {13000}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "80  " and name "HG13")
 ASSI { 5757}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "95  " and name "HD12")
      5.000     5.000     0.000 peak  5757 weight  0.10000E+01 volume  0.56700E+00 ppm1      3.693 ppm2      0.753
 OR { 5757}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "95  " and name "HD13")
 OR { 5757}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "95  " and name "HD11")
 ASSI { 5759}
     (segid "    " and resid "83  " and name "HB3 ")
     (segid "    " and resid "80  " and name "HA  ")
      5.000     5.000     0.000 peak  5759 weight  0.10000E+01 volume  0.11760E+01 ppm1      1.321 ppm2      3.697
 OR { 5759}
     (segid "    " and resid "83  " and name "HB1 ")
     (segid "    " and resid "80  " and name "HA  ")
 OR { 5759}
     (segid "    " and resid "83  " and name "HB2 ")
     (segid "    " and resid "80  " and name "HA  ")
 ASSI { 5762}
     (segid "    " and resid "84  " and name "HB1 ")
     (segid "    " and resid "92  " and name "HD13")
      5.000     5.000     0.000 peak  5762 weight  0.10000E+01 volume  0.88800E+00 ppm1      1.457 ppm2      0.956
 OR { 5762}
     (segid "    " and resid "84  " and name "HB2 ")
     (segid "    " and resid "92  " and name "HD12")
 OR { 5762}
     (segid "    " and resid "84  " and name "HB3 ")
     (segid "    " and resid "92  " and name "HD12")
 OR { 5762}
     (segid "    " and resid "84  " and name "HB3 ")
     (segid "    " and resid "92  " and name "HD11")
 OR { 5762}
     (segid "    " and resid "84  " and name "HB1 ")
     (segid "    " and resid "92  " and name "HD12")
 OR { 5762}
     (segid "    " and resid "84  " and name "HB1 ")
     (segid "    " and resid "92  " and name "HD11")
 OR { 5762}
     (segid "    " and resid "84  " and name "HB2 ")
     (segid "    " and resid "92  " and name "HD13")
 OR { 5762}
     (segid "    " and resid "84  " and name "HB2 ")
     (segid "    " and resid "92  " and name "HD11")
 OR { 5762}
     (segid "    " and resid "84  " and name "HB3 ")
     (segid "    " and resid "92  " and name "HD13")
 ASSI { 5764}
     (segid "    " and resid "86  " and name "HB  ")
     (segid "    " and resid "86  " and name "HA  ")
      5.000     5.000     0.000 peak  5764 weight  0.10000E+01 volume  0.17110E+01 ppm1      4.379 ppm2      4.332
 ASSI { 5765}
     (segid "    " and resid "88  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HB  ")
      6.000     6.000     0.000 peak  5765 weight  0.10000E+01 volume -0.64000E-01 ppm1      3.437 ppm2      4.208
 ASSI { 5774}
     (segid "    " and resid "89  " and name "HD23")
     (segid "    " and resid "92  " and name "HD13")
      5.000     5.000     0.000 peak  5774 weight  0.10000E+01 volume  0.75900E+00 ppm1      0.606 ppm2      0.962
 OR { 5774}
     (segid "    " and resid "89  " and name "HD21")
     (segid "    " and resid "92  " and name "HD11")
 OR { 5774}
     (segid "    " and resid "89  " and name "HD23")
     (segid "    " and resid "92  " and name "HD11")
 OR { 5774}
     (segid "    " and resid "89  " and name "HD21")
     (segid "    " and resid "92  " and name "HD12")
 OR { 5774}
     (segid "    " and resid "89  " and name "HD22")
     (segid "    " and resid "92  " and name "HD11")
 OR { 5774}
     (segid "    " and resid "89  " and name "HD22")
     (segid "    " and resid "92  " and name "HD13")
 OR { 5774}
     (segid "    " and resid "89  " and name "HD21")
     (segid "    " and resid "92  " and name "HD13")
 OR { 5774}
     (segid "    " and resid "89  " and name "HD22")
     (segid "    " and resid "92  " and name "HD12")
 OR { 5774}
     (segid "    " and resid "89  " and name "HD23")
     (segid "    " and resid "92  " and name "HD12")
 ASSI { 5784}
     (segid "    " and resid "92  " and name "HD12")
     (segid "    " and resid "84  " and name "HA  ")
      5.000     5.000     0.000 peak  5784 weight  0.10000E+01 volume -0.33500E+00 ppm1      0.955 ppm2      3.959
 OR { 5784}
     (segid "    " and resid "92  " and name "HD13")
     (segid "    " and resid "84  " and name "HA  ")
 OR { 5784}
     (segid "    " and resid "92  " and name "HD11")
     (segid "    " and resid "84  " and name "HA  ")
 ASSI { 5786}
     (segid "    " and resid "92  " and name "HD11")
     (segid "    " and resid "89  " and name "HA  ")
      6.000     6.000     0.000 peak  5786 weight  0.10000E+01 volume -0.21700E+00 ppm1      0.956 ppm2      3.737
 OR { 5786}
     (segid "    " and resid "92  " and name "HD13")
     (segid "    " and resid "89  " and name "HA  ")
 OR { 5786}
     (segid "    " and resid "92  " and name "HD12")
     (segid "    " and resid "89  " and name "HA  ")
 ASSI { 5789}
     (segid "    " and resid "92  " and name "HD13")
     (segid "    " and resid "128 " and name "HG  ")
      5.000     5.000     0.000 peak  5789 weight  0.10000E+01 volume  0.46800E+00 ppm1      0.955 ppm2      2.008
 OR { 5789}
     (segid "    " and resid "92  " and name "HD11")
     (segid "    " and resid "128 " and name "HG  ")
 OR { 5789}
     (segid "    " and resid "92  " and name "HD12")
     (segid "    " and resid "128 " and name "HG  ")
 ASSI { 5790}
     (segid "    " and resid "92  " and name "HD23")
     (segid "    " and resid "80  " and name "HA  ")
      5.000     5.000     0.000 peak  5790 weight  0.10000E+01 volume  0.67700E+00 ppm1      1.015 ppm2      3.707
 OR { 5790}
     (segid "    " and resid "92  " and name "HD22")
     (segid "    " and resid "80  " and name "HA  ")
 OR { 5790}
     (segid "    " and resid "92  " and name "HD21")
     (segid "    " and resid "80  " and name "HA  ")
 ASSI { 5796}
     (segid "    " and resid "93  " and name "HE1 ")
     (segid "    " and resid "89  " and name "HD12")
      6.000     6.000     0.000 peak  5796 weight  0.10000E+01 volume -0.66000E-01 ppm1      2.738 ppm2      0.849
 OR { 5796}
     (segid "    " and resid "93  " and name "HE1 ")
     (segid "    " and resid "89  " and name "HD11")
 OR { 5796}
     (segid "    " and resid "93  " and name "HE1 ")
     (segid "    " and resid "89  " and name "HD13")
 ASSI { 5797}
     (segid "    " and resid "93  " and name "HE2 ")
     (segid "    " and resid "89  " and name "HD13")
      6.000     6.000     0.000 peak  5797 weight  0.10000E+01 volume -0.19600E+00 ppm1      2.584 ppm2      0.842
 OR { 5797}
     (segid "    " and resid "93  " and name "HE2 ")
     (segid "    " and resid "89  " and name "HD11")
 OR { 5797}
     (segid "    " and resid "93  " and name "HE2 ")
     (segid "    " and resid "89  " and name "HD12")
 ASSI { 5798}
     (segid "    " and resid "93  " and name "HE1 ")
     (segid "    " and resid "89  " and name "HD22")
      6.000     6.000     0.000 peak  5798 weight  0.10000E+01 volume -0.56000E-01 ppm1      2.737 ppm2      0.595
 OR { 5798}
     (segid "    " and resid "93  " and name "HE1 ")
     (segid "    " and resid "89  " and name "HD23")
 OR { 5798}
     (segid "    " and resid "93  " and name "HE1 ")
     (segid "    " and resid "89  " and name "HD21")
 ASSI { 5799}
     (segid "    " and resid "93  " and name "HE2 ")
     (segid "    " and resid "89  " and name "HD21")
      6.000     6.000     0.000 peak  5799 weight  0.10000E+01 volume -0.13200E+00 ppm1      2.589 ppm2      0.612
 OR { 5799}
     (segid "    " and resid "93  " and name "HE2 ")
     (segid "    " and resid "89  " and name "HD23")
 OR { 5799}
     (segid "    " and resid "93  " and name "HE2 ")
     (segid "    " and resid "89  " and name "HD22")
 ASSI {12929}
     (segid "    " and resid "94  " and name "HA  ")
     (segid "    " and resid "97  " and name "HB1 ")
      5.000     5.000     0.000 peak 12929 weight  0.10000E+01 volume  0.50400E+00 ppm1      4.046 ppm2      2.272
 ASSI {12983}
     (segid "    " and resid "96  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG21")
      3.300     3.300     0.000 peak 12983 weight  0.10000E+01 volume  0.27970E+01 ppm1      3.764 ppm2      1.123
 OR {12983}
     (segid "    " and resid "96  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG23")
 OR {12983}
     (segid "    " and resid "96  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG22")
 ASSI { 5817}
     (segid "    " and resid "97  " and name "HB2 ")
     (segid "    " and resid "94  " and name "HA  ")
      6.000     6.000     0.000 peak  5817 weight  0.10000E+01 volume  0.26000E+00 ppm1      2.028 ppm2      4.048
 ASSI { 5812}
     (segid "    " and resid "97  " and name "HB1 ")
     (segid "    " and resid "97  " and name "HA  ")
      3.300     3.300     0.000 peak  5812 weight  0.10000E+01 volume -0.22020E+01 ppm1      2.264 ppm2      4.100
 ASSI { 5843}
     (segid "    " and resid "108 " and name "HA  ")
     (segid "    " and resid "108 " and name "HB  ")
      5.000     5.000     0.000 peak  5843 weight  0.10000E+01 volume  0.16430E+01 ppm1      4.619 ppm2      4.541
 ASSI {12977}
     (segid "    " and resid "112 " and name "HG1 ")
     (segid "    " and resid "112 " and name "HD1 ")
      6.000     6.000     0.000 peak 12977 weight  0.10000E+01 volume -0.12500E+00 ppm1      1.811 ppm2      4.290
 ASSI {12978}
     (segid "    " and resid "112 " and name "HG1 ")
     (segid "    " and resid "112 " and name "HG2 ")
      5.000     5.000     0.000 peak 12978 weight  0.10000E+01 volume  0.37800E+00 ppm1      1.809 ppm2      0.889
 ASSI { 5857}
     (segid "    " and resid "113 " and name "HA  ")
     (segid "    " and resid "128 " and name "HD11")
      5.000     5.000     0.000 peak  5857 weight  0.10000E+01 volume  0.79600E+00 ppm1      3.833 ppm2      0.728
 OR { 5857}
     (segid "    " and resid "113 " and name "HA  ")
     (segid "    " and resid "128 " and name "HD13")
 OR { 5857}
     (segid "    " and resid "113 " and name "HA  ")
     (segid "    " and resid "128 " and name "HD12")
 ASSI { 5858}
     (segid "    " and resid "113 " and name "HB  ")
     (segid "    " and resid "128 " and name "HD13")
      6.000     6.000     0.000 peak  5858 weight  0.10000E+01 volume -0.29500E+00 ppm1      1.733 ppm2      0.727
 OR { 5858}
     (segid "    " and resid "113 " and name "HB  ")
     (segid "    " and resid "128 " and name "HD11")
 OR { 5858}
     (segid "    " and resid "113 " and name "HB  ")
     (segid "    " and resid "128 " and name "HD12")
 ASSI { 5849}
     (segid "    " and resid "113 " and name "HD12")
     (segid "    " and resid "113 " and name "HG12")
      5.000     5.000     0.000 peak  5849 weight  0.10000E+01 volume  0.45300E+00 ppm1      0.742 ppm2      1.387
 OR { 5849}
     (segid "    " and resid "113 " and name "HD11")
     (segid "    " and resid "113 " and name "HG11")
 OR { 5849}
     (segid "    " and resid "113 " and name "HD13")
     (segid "    " and resid "113 " and name "HG11")
 OR { 5849}
     (segid "    " and resid "113 " and name "HD11")
     (segid "    " and resid "113 " and name "HG12")
 OR { 5849}
     (segid "    " and resid "113 " and name "HD13")
     (segid "    " and resid "113 " and name "HG12")
 OR { 5849}
     (segid "    " and resid "113 " and name "HD12")
     (segid "    " and resid "113 " and name "HG11")
 ASSI { 5861}
     (segid "    " and resid "113 " and name "HD13")
     (segid "    " and resid "129 " and name "HB2 ")
      5.000     5.000     0.000 peak  5861 weight  0.10000E+01 volume  0.66200E+00 ppm1      0.741 ppm2      1.116
 OR { 5861}
     (segid "    " and resid "113 " and name "HD12")
     (segid "    " and resid "129 " and name "HB2 ")
 OR { 5861}
     (segid "    " and resid "113 " and name "HD13")
     (segid "    " and resid "129 " and name "HB3 ")
 OR { 5861}
     (segid "    " and resid "113 " and name "HD11")
     (segid "    " and resid "129 " and name "HB3 ")
 OR { 5861}
     (segid "    " and resid "113 " and name "HD12")
     (segid "    " and resid "129 " and name "HB3 ")
 OR { 5861}
     (segid "    " and resid "113 " and name "HD11")
     (segid "    " and resid "129 " and name "HB2 ")
 OR { 5861}
     (segid "    " and resid "113 " and name "HD12")
     (segid "    " and resid "129 " and name "HB1 ")
 OR { 5861}
     (segid "    " and resid "113 " and name "HD13")
     (segid "    " and resid "129 " and name "HB1 ")
 OR { 5861}
     (segid "    " and resid "113 " and name "HD11")
     (segid "    " and resid "129 " and name "HB1 ")
 ASSI { 5862}
     (segid "    " and resid "113 " and name "HD13")
     (segid "    " and resid "134 " and name "HD21")
      5.000     5.000     0.000 peak  5862 weight  0.10000E+01 volume  0.10270E+01 ppm1      0.737 ppm2      0.690
 OR { 5862}
     (segid "    " and resid "113 " and name "HD13")
     (segid "    " and resid "134 " and name "HD23")
 OR { 5862}
     (segid "    " and resid "113 " and name "HD11")
     (segid "    " and resid "134 " and name "HD21")
 OR { 5862}
     (segid "    " and resid "113 " and name "HD13")
     (segid "    " and resid "134 " and name "HD22")
 OR { 5862}
     (segid "    " and resid "113 " and name "HD11")
     (segid "    " and resid "134 " and name "HD23")
 OR { 5862}
     (segid "    " and resid "113 " and name "HD12")
     (segid "    " and resid "134 " and name "HD21")
 OR { 5862}
     (segid "    " and resid "113 " and name "HD11")
     (segid "    " and resid "134 " and name "HD22")
 OR { 5862}
     (segid "    " and resid "113 " and name "HD12")
     (segid "    " and resid "134 " and name "HD22")
 OR { 5862}
     (segid "    " and resid "113 " and name "HD12")
     (segid "    " and resid "134 " and name "HD23")
 ASSI { 5864}
     (segid "    " and resid "116 " and name "HB2 ")
     (segid "    " and resid "113 " and name "HA  ")
      5.000     5.000     0.000 peak  5864 weight  0.10000E+01 volume  0.33400E+00 ppm1      1.489 ppm2      3.836
 OR { 5864}
     (segid "    " and resid "116 " and name "HB3 ")
     (segid "    " and resid "113 " and name "HA  ")
 OR { 5864}
     (segid "    " and resid "116 " and name "HB1 ")
     (segid "    " and resid "113 " and name "HA  ")
 ASSI { 5870}
     (segid "    " and resid "117 " and name "HA  ")
     (segid "    " and resid "156 " and name "HD11")
      5.000     5.000     0.000 peak  5870 weight  0.10000E+01 volume  0.10140E+01 ppm1      3.515 ppm2      0.997
 OR { 5870}
     (segid "    " and resid "117 " and name "HA  ")
     (segid "    " and resid "156 " and name "HD13")
 OR { 5870}
     (segid "    " and resid "117 " and name "HA  ")
     (segid "    " and resid "156 " and name "HD12")
 ASSI { 5871}
     (segid "    " and resid "117 " and name "HD13")
     (segid "    " and resid "144 " and name "HA  ")
      5.000     5.000     0.000 peak  5871 weight  0.10000E+01 volume  0.53900E+00 ppm1      0.899 ppm2      3.695
 OR { 5871}
     (segid "    " and resid "117 " and name "HD12")
     (segid "    " and resid "144 " and name "HA  ")
 OR { 5871}
     (segid "    " and resid "117 " and name "HD11")
     (segid "    " and resid "144 " and name "HA  ")
 ASSI { 5872}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "147 " and name "HD13")
      5.000     5.000     0.000 peak  5872 weight  0.10000E+01 volume  0.95000E+00 ppm1      0.778 ppm2      1.193
 OR { 5872}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "147 " and name "HD11")
 OR { 5872}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "147 " and name "HD13")
 OR { 5872}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "147 " and name "HD11")
 OR { 5872}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "147 " and name "HD12")
 OR { 5872}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "147 " and name "HD12")
 OR { 5872}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "147 " and name "HD12")
 OR { 5872}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "147 " and name "HD11")
 OR { 5872}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "147 " and name "HD13")
 ASSI { 5820}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "147 " and name "HG  ")
      5.000     5.000     0.000 peak  5820 weight  0.10000E+01 volume  0.38000E+00 ppm1      0.776 ppm2      1.494
 OR { 5820}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "147 " and name "HG  ")
 OR { 5820}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "147 " and name "HG  ")
 ASSI { 5873}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "148 " and name "HA  ")
      5.000     5.000     0.000 peak  5873 weight  0.10000E+01 volume -0.70200E+00 ppm1      0.778 ppm2      3.766
 OR { 5873}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "148 " and name "HA  ")
 OR { 5873}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "148 " and name "HA  ")
 ASSI { 5874}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "148 " and name "HB2 ")
      5.000     5.000     0.000 peak  5874 weight  0.10000E+01 volume  0.15850E+01 ppm1      0.778 ppm2      1.428
 OR { 5874}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "148 " and name "HB2 ")
 OR { 5874}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "148 " and name "HB2 ")
 OR { 5874}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "148 " and name "HB3 ")
 OR { 5874}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "148 " and name "HB1 ")
 OR { 5874}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "148 " and name "HB3 ")
 OR { 5874}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "148 " and name "HB1 ")
 OR { 5874}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "148 " and name "HB3 ")
 OR { 5874}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "148 " and name "HB1 ")
 ASSI { 5875}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "156 " and name "HD11")
      5.000     5.000     0.000 peak  5875 weight  0.10000E+01 volume  0.85700E+00 ppm1      0.778 ppm2      0.995
 OR { 5875}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "156 " and name "HD13")
 OR { 5875}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "156 " and name "HD11")
 OR { 5875}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "156 " and name "HD13")
 OR { 5875}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "156 " and name "HD12")
 OR { 5875}
     (segid "    " and resid "117 " and name "HG22")
     (segid "    " and resid "156 " and name "HD12")
 OR { 5875}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "156 " and name "HD11")
 OR { 5875}
     (segid "    " and resid "117 " and name "HG23")
     (segid "    " and resid "156 " and name "HD13")
 OR { 5875}
     (segid "    " and resid "117 " and name "HG21")
     (segid "    " and resid "156 " and name "HD12")
 ASSI { 5883}
     (segid "    " and resid "126 " and name "HB2 ")
     (segid "    " and resid "159 " and name "HD11")
      5.000     5.000     0.000 peak  5883 weight  0.10000E+01 volume  0.79900E+00 ppm1      3.878 ppm2      0.913
 OR { 5883}
     (segid "    " and resid "126 " and name "HB1 ")
     (segid "    " and resid "159 " and name "HD11")
 OR { 5883}
     (segid "    " and resid "126 " and name "HB2 ")
     (segid "    " and resid "159 " and name "HD12")
 OR { 5883}
     (segid "    " and resid "126 " and name "HB1 ")
     (segid "    " and resid "159 " and name "HD12")
 OR { 5883}
     (segid "    " and resid "126 " and name "HB1 ")
     (segid "    " and resid "159 " and name "HD13")
 OR { 5883}
     (segid "    " and resid "126 " and name "HB2 ")
     (segid "    " and resid "159 " and name "HD13")
 ASSI { 5893}
     (segid "    " and resid "128 " and name "HD12")
     (segid "    " and resid "113 " and name "HD12")
      5.000     5.000     0.000 peak  5893 weight  0.10000E+01 volume  0.41700E+00 ppm1      0.716 ppm2      0.745
 OR { 5893}
     (segid "    " and resid "128 " and name "HD13")
     (segid "    " and resid "113 " and name "HD12")
 OR { 5893}
     (segid "    " and resid "128 " and name "HD11")
     (segid "    " and resid "113 " and name "HD13")
 OR { 5893}
     (segid "    " and resid "128 " and name "HD11")
     (segid "    " and resid "113 " and name "HD12")
 OR { 5893}
     (segid "    " and resid "128 " and name "HD13")
     (segid "    " and resid "113 " and name "HD13")
 OR { 5893}
     (segid "    " and resid "128 " and name "HD13")
     (segid "    " and resid "113 " and name "HD11")
 OR { 5893}
     (segid "    " and resid "128 " and name "HD12")
     (segid "    " and resid "113 " and name "HD13")
 OR { 5893}
     (segid "    " and resid "128 " and name "HD12")
     (segid "    " and resid "113 " and name "HD11")
 OR { 5893}
     (segid "    " and resid "128 " and name "HD11")
     (segid "    " and resid "113 " and name "HD11")
 ASSI { 5899}
     (segid "    " and resid "130 " and name "HD1 ")
     (segid "    " and resid "129 " and name "HB2 ")
      6.000     6.000     0.000 peak  5899 weight  0.10000E+01 volume -0.25100E+00 ppm1      3.470 ppm2      1.124
 OR { 5899}
     (segid "    " and resid "130 " and name "HD1 ")
     (segid "    " and resid "129 " and name "HB3 ")
 OR { 5899}
     (segid "    " and resid "130 " and name "HD1 ")
     (segid "    " and resid "129 " and name "HB1 ")
 ASSI { 5900}
     (segid "    " and resid "130 " and name "HD2 ")
     (segid "    " and resid "129 " and name "HB2 ")
      6.000     6.000     0.000 peak  5900 weight  0.10000E+01 volume -0.20900E+00 ppm1      3.066 ppm2      1.128
 OR { 5900}
     (segid "    " and resid "130 " and name "HD2 ")
     (segid "    " and resid "129 " and name "HB3 ")
 OR { 5900}
     (segid "    " and resid "130 " and name "HD2 ")
     (segid "    " and resid "129 " and name "HB1 ")
 ASSI { 5901}
     (segid "    " and resid "131 " and name "HB1 ")
     (segid "    " and resid "102 " and name "HG23")
      5.000     5.000     0.000 peak  5901 weight  0.10000E+01 volume  0.11590E+01 ppm1      2.281 ppm2      0.883
 OR { 5901}
     (segid "    " and resid "131 " and name "HB1 ")
     (segid "    " and resid "102 " and name "HG21")
 OR { 5901}
     (segid "    " and resid "131 " and name "HB1 ")
     (segid "    " and resid "102 " and name "HG22")
 ASSI { 5902}
     (segid "    " and resid "131 " and name "HB2 ")
     (segid "    " and resid "102 " and name "HG21")
      5.000     5.000     0.000 peak  5902 weight  0.10000E+01 volume  0.56100E+00 ppm1      1.483 ppm2      0.883
 OR { 5902}
     (segid "    " and resid "131 " and name "HB2 ")
     (segid "    " and resid "102 " and name "HG23")
 OR { 5902}
     (segid "    " and resid "131 " and name "HB2 ")
     (segid "    " and resid "102 " and name "HG22")
 ASSI { 5906}
     (segid "    " and resid "134 " and name "HD21")
     (segid "    " and resid "113 " and name "HG22")
      5.000     5.000     0.000 peak  5906 weight  0.10000E+01 volume  0.77000E+00 ppm1      0.691 ppm2      0.742
 OR { 5906}
     (segid "    " and resid "134 " and name "HD23")
     (segid "    " and resid "113 " and name "HG22")
 OR { 5906}
     (segid "    " and resid "134 " and name "HD21")
     (segid "    " and resid "113 " and name "HG23")
 OR { 5906}
     (segid "    " and resid "134 " and name "HD22")
     (segid "    " and resid "113 " and name "HG22")
 OR { 5906}
     (segid "    " and resid "134 " and name "HD22")
     (segid "    " and resid "113 " and name "HG23")
 OR { 5906}
     (segid "    " and resid "134 " and name "HD23")
     (segid "    " and resid "113 " and name "HG23")
 OR { 5906}
     (segid "    " and resid "134 " and name "HD23")
     (segid "    " and resid "113 " and name "HG21")
 OR { 5906}
     (segid "    " and resid "134 " and name "HD22")
     (segid "    " and resid "113 " and name "HG21")
 OR { 5906}
     (segid "    " and resid "134 " and name "HD21")
     (segid "    " and resid "113 " and name "HG21")
 ASSI { 5935}
     (segid "    " and resid "147 " and name "HB1 ")
     (segid "    " and resid "144 " and name "HA  ")
      6.000     6.000     0.000 peak  5935 weight  0.10000E+01 volume -0.13100E+00 ppm1      2.141 ppm2      3.696
 ASSI { 5931}
     (segid "    " and resid "147 " and name "HB1 ")
     (segid "    " and resid "147 " and name "HD12")
      5.000     5.000     0.000 peak  5931 weight  0.10000E+01 volume -0.52600E+00 ppm1      2.136 ppm2      1.186
 OR { 5931}
     (segid "    " and resid "147 " and name "HB1 ")
     (segid "    " and resid "147 " and name "HD11")
 OR { 5931}
     (segid "    " and resid "147 " and name "HB1 ")
     (segid "    " and resid "147 " and name "HD13")
 ASSI { 5936}
     (segid "    " and resid "147 " and name "HB1 ")
     (segid "    " and resid "156 " and name "HD11")
      5.000     5.000     0.000 peak  5936 weight  0.10000E+01 volume -0.36600E+00 ppm1      2.092 ppm2      0.995
 OR { 5936}
     (segid "    " and resid "147 " and name "HB1 ")
     (segid "    " and resid "156 " and name "HD13")
 OR { 5936}
     (segid "    " and resid "147 " and name "HB1 ")
     (segid "    " and resid "156 " and name "HD12")
 ASSI { 5941}
     (segid "    " and resid "148 " and name "HB2 ")
     (segid "    " and resid "145 " and name "HA  ")
      5.000     5.000     0.000 peak  5941 weight  0.10000E+01 volume -0.46600E+00 ppm1      1.440 ppm2      3.950
 OR { 5941}
     (segid "    " and resid "148 " and name "HB3 ")
     (segid "    " and resid "145 " and name "HA  ")
 OR { 5941}
     (segid "    " and resid "148 " and name "HB1 ")
     (segid "    " and resid "145 " and name "HA  ")
 ASSI { 5942}
     (segid "    " and resid "148 " and name "HB3 ")
     (segid "    " and resid "156 " and name "HD13")
      5.000     5.000     0.000 peak  5942 weight  0.10000E+01 volume  0.15070E+01 ppm1      1.429 ppm2      1.002
 OR { 5942}
     (segid "    " and resid "148 " and name "HB2 ")
     (segid "    " and resid "156 " and name "HD12")
 OR { 5942}
     (segid "    " and resid "148 " and name "HB1 ")
     (segid "    " and resid "156 " and name "HD11")
 OR { 5942}
     (segid "    " and resid "148 " and name "HB2 ")
     (segid "    " and resid "156 " and name "HD13")
 OR { 5942}
     (segid "    " and resid "148 " and name "HB3 ")
     (segid "    " and resid "156 " and name "HD12")
 OR { 5942}
     (segid "    " and resid "148 " and name "HB1 ")
     (segid "    " and resid "156 " and name "HD13")
 OR { 5942}
     (segid "    " and resid "148 " and name "HB1 ")
     (segid "    " and resid "156 " and name "HD12")
 OR { 5942}
     (segid "    " and resid "148 " and name "HB2 ")
     (segid "    " and resid "156 " and name "HD11")
 OR { 5942}
     (segid "    " and resid "148 " and name "HB3 ")
     (segid "    " and resid "156 " and name "HD11")
 ASSI { 5943}
     (segid "    " and resid "148 " and name "HB3 ")
     (segid "    " and resid "157 " and name "HA  ")
      6.000     6.000     0.000 peak  5943 weight  0.10000E+01 volume  0.20500E+00 ppm1      1.443 ppm2      3.736
 OR { 5943}
     (segid "    " and resid "148 " and name "HB2 ")
     (segid "    " and resid "157 " and name "HA  ")
 OR { 5943}
     (segid "    " and resid "148 " and name "HB1 ")
     (segid "    " and resid "157 " and name "HA  ")
 ASSI { 5944}
     (segid "    " and resid "148 " and name "HB2 ")
     (segid "    " and resid "157 " and name "HG2 ")
      5.000     5.000     0.000 peak  5944 weight  0.10000E+01 volume  0.69200E+00 ppm1      1.440 ppm2      2.339
 OR { 5944}
     (segid "    " and resid "148 " and name "HB1 ")
     (segid "    " and resid "157 " and name "HG1 ")
 OR { 5944}
     (segid "    " and resid "148 " and name "HB3 ")
     (segid "    " and resid "157 " and name "HG2 ")
 OR { 5944}
     (segid "    " and resid "148 " and name "HB2 ")
     (segid "    " and resid "157 " and name "HG1 ")
 OR { 5944}
     (segid "    " and resid "148 " and name "HB1 ")
     (segid "    " and resid "157 " and name "HG2 ")
 OR { 5944}
     (segid "    " and resid "148 " and name "HB3 ")
     (segid "    " and resid "157 " and name "HG1 ")
 ASSI { 5945}
     (segid "    " and resid "148 " and name "HB2 ")
     (segid "    " and resid "160 " and name "HD13")
      5.000     5.000     0.000 peak  5945 weight  0.10000E+01 volume  0.10780E+01 ppm1      1.440 ppm2      0.647
 OR { 5945}
     (segid "    " and resid "148 " and name "HB2 ")
     (segid "    " and resid "160 " and name "HD11")
 OR { 5945}
     (segid "    " and resid "148 " and name "HB1 ")
     (segid "    " and resid "160 " and name "HD13")
 OR { 5945}
     (segid "    " and resid "148 " and name "HB1 ")
     (segid "    " and resid "160 " and name "HD12")
 OR { 5945}
     (segid "    " and resid "148 " and name "HB3 ")
     (segid "    " and resid "160 " and name "HD11")
 OR { 5945}
     (segid "    " and resid "148 " and name "HB1 ")
     (segid "    " and resid "160 " and name "HD11")
 OR { 5945}
     (segid "    " and resid "148 " and name "HB3 ")
     (segid "    " and resid "160 " and name "HD12")
 OR { 5945}
     (segid "    " and resid "148 " and name "HB2 ")
     (segid "    " and resid "160 " and name "HD12")
 OR { 5945}
     (segid "    " and resid "148 " and name "HB3 ")
     (segid "    " and resid "160 " and name "HD13")
 ASSI { 5963}
     (segid "    " and resid "156 " and name "HA  ")
     (segid "    " and resid "156 " and name "HD12")
      6.000     6.000     0.000 peak  5963 weight  0.10000E+01 volume -0.21000E+00 ppm1      4.157 ppm2      1.000
 OR { 5963}
     (segid "    " and resid "156 " and name "HA  ")
     (segid "    " and resid "156 " and name "HD13")
 OR { 5963}
     (segid "    " and resid "156 " and name "HA  ")
     (segid "    " and resid "156 " and name "HD11")
 ASSI { 5965}
     (segid "    " and resid "156 " and name "HA  ")
     (segid "    " and resid "159 " and name "HB  ")
      6.000     6.000     0.000 peak  5965 weight  0.10000E+01 volume  0.21500E+00 ppm1      4.159 ppm2      1.881
 ASSI { 5966}
     (segid "    " and resid "156 " and name "HA  ")
     (segid "    " and resid "159 " and name "HD12")
      5.000     5.000     0.000 peak  5966 weight  0.10000E+01 volume -0.44300E+00 ppm1      4.157 ppm2      0.905
 OR { 5966}
     (segid "    " and resid "156 " and name "HA  ")
     (segid "    " and resid "159 " and name "HD11")
 OR { 5966}
     (segid "    " and resid "156 " and name "HA  ")
     (segid "    " and resid "159 " and name "HD13")
 ASSI { 5968}
     (segid "    " and resid "156 " and name "HD11")
     (segid "    " and resid "153 " and name "HB2 ")
      3.300     3.300     0.000 peak  5968 weight  0.10000E+01 volume  0.24720E+01 ppm1      0.997 ppm2      1.382
 OR { 5968}
     (segid "    " and resid "156 " and name "HD11")
     (segid "    " and resid "153 " and name "HB3 ")
 OR { 5968}
     (segid "    " and resid "156 " and name "HD12")
     (segid "    " and resid "153 " and name "HB2 ")
 OR { 5968}
     (segid "    " and resid "156 " and name "HD12")
     (segid "    " and resid "153 " and name "HB3 ")
 OR { 5968}
     (segid "    " and resid "156 " and name "HD13")
     (segid "    " and resid "153 " and name "HB1 ")
 OR { 5968}
     (segid "    " and resid "156 " and name "HD13")
     (segid "    " and resid "153 " and name "HB3 ")
 OR { 5968}
     (segid "    " and resid "156 " and name "HD12")
     (segid "    " and resid "153 " and name "HB1 ")
 OR { 5968}
     (segid "    " and resid "156 " and name "HD11")
     (segid "    " and resid "153 " and name "HB1 ")
 OR { 5968}
     (segid "    " and resid "156 " and name "HD13")
     (segid "    " and resid "153 " and name "HB2 ")
 ASSI { 5960}
     (segid "    " and resid "156 " and name "HD13")
     (segid "    " and resid "156 " and name "HG  ")
      5.000     5.000     0.000 peak  5960 weight  0.10000E+01 volume  0.11610E+01 ppm1      0.998 ppm2      1.885
 OR { 5960}
     (segid "    " and resid "156 " and name "HD12")
     (segid "    " and resid "156 " and name "HG  ")
 OR { 5960}
     (segid "    " and resid "156 " and name "HD11")
     (segid "    " and resid "156 " and name "HG  ")
 ASSI { 5969}
     (segid "    " and resid "156 " and name "HG  ")
     (segid "    " and resid "153 " and name "HB3 ")
      5.000     5.000     0.000 peak  5969 weight  0.10000E+01 volume  0.52100E+00 ppm1      1.880 ppm2      1.386
 OR { 5969}
     (segid "    " and resid "156 " and name "HG  ")
     (segid "    " and resid "153 " and name "HB1 ")
 OR { 5969}
     (segid "    " and resid "156 " and name "HG  ")
     (segid "    " and resid "153 " and name "HB2 ")
 ASSI { 5973}
     (segid "    " and resid "157 " and name "HE1 ")
     (segid "    " and resid "157 " and name "HG1 ")
      5.000     5.000     0.000 peak  5973 weight  0.10000E+01 volume  0.12060E+01 ppm1      2.052 ppm2      2.331
 OR { 5973}
     (segid "    " and resid "157 " and name "HE3 ")
     (segid "    " and resid "157 " and name "HG2 ")
 OR { 5973}
     (segid "    " and resid "157 " and name "HE2 ")
     (segid "    " and resid "157 " and name "HG1 ")
 OR { 5973}
     (segid "    " and resid "157 " and name "HE3 ")
     (segid "    " and resid "157 " and name "HG1 ")
 OR { 5973}
     (segid "    " and resid "157 " and name "HE1 ")
     (segid "    " and resid "157 " and name "HG2 ")
 OR { 5973}
     (segid "    " and resid "157 " and name "HE2 ")
     (segid "    " and resid "157 " and name "HG2 ")
 ASSI { 5976}
     (segid "    " and resid "159 " and name "HD11")
     (segid "    " and resid "159 " and name "HB  ")
      5.000     5.000     0.000 peak  5976 weight  0.10000E+01 volume -0.12580E+01 ppm1      0.912 ppm2      1.872
 OR { 5976}
     (segid "    " and resid "159 " and name "HD12")
     (segid "    " and resid "159 " and name "HB  ")
 OR { 5976}
     (segid "    " and resid "159 " and name "HD13")
     (segid "    " and resid "159 " and name "HB  ")
 ASSI { 5975}
     (segid "    " and resid "159 " and name "HD13")
     (segid "    " and resid "159 " and name "HG12")
      5.000     5.000     0.000 peak  5975 weight  0.10000E+01 volume  0.19480E+01 ppm1      0.918 ppm2      1.119
 OR { 5975}
     (segid "    " and resid "159 " and name "HD11")
     (segid "    " and resid "159 " and name "HG12")
 OR { 5975}
     (segid "    " and resid "159 " and name "HD12")
     (segid "    " and resid "159 " and name "HG12")
 ASSI { 6000}
     (segid "    " and resid "160 " and name "HD23")
     (segid "    " and resid "113 " and name "HD13")
      5.000     5.000     0.000 peak  6000 weight  0.10000E+01 volume  0.13930E+01 ppm1      0.758 ppm2      0.734
 OR { 6000}
     (segid "    " and resid "160 " and name "HD22")
     (segid "    " and resid "113 " and name "HD13")
 OR { 6000}
     (segid "    " and resid "160 " and name "HD21")
     (segid "    " and resid "113 " and name "HD13")
 OR { 6000}
     (segid "    " and resid "160 " and name "HD23")
     (segid "    " and resid "113 " and name "HD11")
 OR { 6000}
     (segid "    " and resid "160 " and name "HD21")
     (segid "    " and resid "113 " and name "HD11")
 OR { 6000}
     (segid "    " and resid "160 " and name "HD23")
     (segid "    " and resid "113 " and name "HD12")
 OR { 6000}
     (segid "    " and resid "160 " and name "HD22")
     (segid "    " and resid "113 " and name "HD12")
 OR { 6000}
     (segid "    " and resid "160 " and name "HD22")
     (segid "    " and resid "113 " and name "HD11")
 OR { 6000}
     (segid "    " and resid "160 " and name "HD21")
     (segid "    " and resid "113 " and name "HD12")
 ASSI { 6007}
     (segid "    " and resid "164 " and name "HE3 ")
     (segid "    " and resid "164 " and name "HB1 ")
      5.000     5.000     0.000 peak  6007 weight  0.10000E+01 volume -0.82400E+00 ppm1      1.973 ppm2      2.303
 OR { 6007}
     (segid "    " and resid "164 " and name "HE2 ")
     (segid "    " and resid "164 " and name "HB1 ")
 OR { 6007}
     (segid "    " and resid "164 " and name "HE1 ")
     (segid "    " and resid "164 " and name "HB1 ")
 ASSI { 6002}
     (segid "    " and resid "164 " and name "HE1 ")
     (segid "    " and resid "164 " and name "HG1 ")
      6.000     6.000     0.000 peak  6002 weight  0.10000E+01 volume -0.96000E-01 ppm1      1.973 ppm2      2.703
 OR { 6002}
     (segid "    " and resid "164 " and name "HE3 ")
     (segid "    " and resid "164 " and name "HG1 ")
 OR { 6002}
     (segid "    " and resid "164 " and name "HE2 ")
     (segid "    " and resid "164 " and name "HG1 ")
 ASSI { 6001}
     (segid "    " and resid "164 " and name "HE3 ")
     (segid "    " and resid "164 " and name "HG2 ")
      5.000     5.000     0.000 peak  6001 weight  0.10000E+01 volume -0.32400E+00 ppm1      1.973 ppm2      2.341
 OR { 6001}
     (segid "    " and resid "164 " and name "HE2 ")
     (segid "    " and resid "164 " and name "HG2 ")
 OR { 6001}
     (segid "    " and resid "164 " and name "HE1 ")
     (segid "    " and resid "164 " and name "HG2 ")
 ASSI {12857}
     (segid "    " and resid "166 " and name "HD13")
     (segid "    " and resid "166 " and name "HG12")
      3.300     3.300     0.000 peak 12857 weight  0.10000E+01 volume  0.27260E+01 ppm1      0.907 ppm2      1.193
 OR {12857}
     (segid "    " and resid "166 " and name "HD11")
     (segid "    " and resid "166 " and name "HG12")
 OR {12857}
     (segid "    " and resid "166 " and name "HD12")
     (segid "    " and resid "166 " and name "HG12")
 ASSI {12856}
     (segid "    " and resid "166 " and name "HG21")
     (segid "    " and resid "166 " and name "HG12")
      5.000     5.000     0.000 peak 12856 weight  0.10000E+01 volume  0.52200E+00 ppm1      0.996 ppm2      1.230
 OR {12856}
     (segid "    " and resid "166 " and name "HG23")
     (segid "    " and resid "166 " and name "HG12")
 OR {12856}
     (segid "    " and resid "166 " and name "HG22")
     (segid "    " and resid "166 " and name "HG12")
 ASSI { 6018}
     (segid "    " and resid "167 " and name "HD1 ")
     (segid "    " and resid "166 " and name "HA  ")
      3.300     3.300     0.000 peak  6018 weight  0.10000E+01 volume  0.20880E+01 ppm1      3.932 ppm2      4.517
 ASSI {12853}
     (segid "    " and resid "167 " and name "HG1 ")
     (segid "    " and resid "167 " and name "HD1 ")
      5.000     5.000     0.000 peak 12853 weight  0.10000E+01 volume -0.62400E+00 ppm1      2.100 ppm2      3.957
 ASSI {12852}
     (segid "    " and resid "167 " and name "HG1 ")
     (segid "    " and resid "167 " and name "HD2 ")
      5.000     5.000     0.000 peak 12852 weight  0.10000E+01 volume -0.71600E+00 ppm1      2.100 ppm2      3.760
 ASSI {12854}
     (segid "    " and resid "167 " and name "HG2 ")
     (segid "    " and resid "167 " and name "HD2 ")
      5.000     5.000     0.000 peak 12854 weight  0.10000E+01 volume -0.58200E+00 ppm1      1.998 ppm2      3.760
 ASSI { 8021}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HA  ")
      5.000     5.000     0.000 peak  8021 weight  0.10000E+01 volume  0.10000E+01 ppm1      8.326 ppm2      4.291
 ASSI { 8022}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HB2 ")
      5.000     5.000     0.000 peak  8022 weight  0.10000E+01 volume  0.12640E+01 ppm1      8.332 ppm2      2.018
 OR { 8022}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HB1 ")
 ASSI { 8031}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HA2 ")
      3.300     3.300     0.000 peak  8031 weight  0.10000E+01 volume  0.17230E+01 ppm1      8.767 ppm2      3.642
 OR { 8031}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HA1 ")
 ASSI { 8035}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HA2 ")
      5.000     5.000     0.000 peak  8035 weight  0.10000E+01 volume  0.50700E+00 ppm1      8.088 ppm2      3.640
 OR { 8035}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HA1 ")
 ASSI { 8036}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HN  ")
      5.000     5.000     0.000 peak  8036 weight  0.10000E+01 volume  0.30900E+00 ppm1      8.093 ppm2      8.765
 ASSI { 8037}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HA  ")
      5.000     5.000     0.000 peak  8037 weight  0.10000E+01 volume  0.31100E+00 ppm1      8.087 ppm2      4.600
 ASSI { 8038}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB1 ")
      5.000     5.000     0.000 peak  8038 weight  0.10000E+01 volume  0.83900E+00 ppm1      8.083 ppm2      3.035
 ASSI { 8039}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB2 ")
      5.000     5.000     0.000 peak  8039 weight  0.10000E+01 volume  0.54700E+00 ppm1      8.083 ppm2      2.696
 ASSI { 8042}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
      5.000     5.000     0.000 peak  8042 weight  0.10000E+01 volume  0.81000E+00 ppm1      8.343 ppm2      4.087
 ASSI { 8043}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB1 ")
      2.700     2.700     0.000 peak  8043 weight  0.10000E+01 volume  0.33890E+01 ppm1      8.340 ppm2      1.986
 ASSI { 8044}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB2 ")
      3.300     3.300     0.000 peak  8044 weight  0.10000E+01 volume  0.15660E+01 ppm1      8.341 ppm2      1.367
 ASSI { 8045}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HG  ")
      5.000     5.000     0.000 peak  8045 weight  0.10000E+01 volume  0.99400E+00 ppm1      8.341 ppm2      1.517
 ASSI { 8055}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB1 ")
      5.000     5.000     0.000 peak  8055 weight  0.10000E+01 volume  0.60600E+00 ppm1      8.240 ppm2      2.005
 ASSI { 8056}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG  ")
      5.000     5.000     0.000 peak  8056 weight  0.10000E+01 volume  0.39100E+00 ppm1      8.257 ppm2      5.767
 ASSI { 8057}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "16  " and name "HN  ")
      2.700     2.700     0.000 peak  8057 weight  0.10000E+01 volume  0.40520E+01 ppm1      8.256 ppm2      8.347
 ASSI { 8064}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "16  " and name "HA2 ")
      3.300     3.300     0.000 peak  8064 weight  0.10000E+01 volume  0.27220E+01 ppm1      8.351 ppm2      3.854
 ASSI { 8065}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "17  " and name "HN  ")
      5.000     5.000     0.000 peak  8065 weight  0.10000E+01 volume  0.87100E+00 ppm1      8.350 ppm2      7.618
 ASSI { 8070}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HA1 ")
      5.000     5.000     0.000 peak  8070 weight  0.10000E+01 volume  0.91600E+00 ppm1      7.620 ppm2      3.954
 ASSI { 8071}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HA2 ")
      5.000     5.000     0.000 peak  8071 weight  0.10000E+01 volume  0.70300E+00 ppm1      7.621 ppm2      3.846
 ASSI { 8072}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HA  ")
      5.000     5.000     0.000 peak  8072 weight  0.10000E+01 volume  0.11760E+01 ppm1      7.622 ppm2      4.156
 ASSI { 8073}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB2 ")
      3.300     3.300     0.000 peak  8073 weight  0.10000E+01 volume  0.25780E+01 ppm1      7.620 ppm2      1.503
 OR { 8073}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB3 ")
 OR { 8073}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB1 ")
 ASSI { 8079}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HA  ")
      5.000     5.000     0.000 peak  8079 weight  0.10000E+01 volume  0.33300E+00 ppm1      8.360 ppm2      4.145
 ASSI { 8080}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB3 ")
      3.300     3.300     0.000 peak  8080 weight  0.10000E+01 volume  0.16310E+01 ppm1      8.359 ppm2      1.507
 OR { 8080}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB1 ")
 OR { 8080}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB2 ")
 ASSI { 8081}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HN  ")
      5.000     5.000     0.000 peak  8081 weight  0.10000E+01 volume  0.12900E+01 ppm1      8.359 ppm2      7.618
 ASSI { 8082}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "18  " and name "HA  ")
      5.000     5.000     0.000 peak  8082 weight  0.10000E+01 volume  0.10690E+01 ppm1      8.364 ppm2      3.827
 ASSI { 8083}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB2 ")
      2.700     2.700     0.000 peak  8083 weight  0.10000E+01 volume  0.30130E+01 ppm1      8.360 ppm2      1.307
 OR { 8083}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB3 ")
 OR { 8083}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB1 ")
 ASSI { 8084}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "19  " and name "HN  ")
      5.000     5.000     0.000 peak  8084 weight  0.10000E+01 volume  0.10380E+01 ppm1      8.359 ppm2      8.965
 ASSI { 8089}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "16  " and name "HA1 ")
      5.000     5.000     0.000 peak  8089 weight  0.10000E+01 volume  0.39500E+00 ppm1      8.958 ppm2      3.950
 ASSI { 8091}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB3 ")
      5.000     5.000     0.000 peak  8091 weight  0.10000E+01 volume  0.10560E+01 ppm1      8.961 ppm2      1.307
 OR { 8091}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 8091}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB2 ")
 ASSI { 8093}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  8093 weight  0.10000E+01 volume  0.89400E+00 ppm1      8.968 ppm2      4.294
 ASSI { 8094}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB3 ")
      3.300     3.300     0.000 peak  8094 weight  0.10000E+01 volume  0.28840E+01 ppm1      8.963 ppm2      1.547
 OR { 8094}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB2 ")
 OR { 8094}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB1 ")
 ASSI { 8095}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "20  " and name "HN  ")
      5.000     5.000     0.000 peak  8095 weight  0.10000E+01 volume  0.73200E+00 ppm1      8.964 ppm2      7.415
 ASSI { 8097}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  8097 weight  0.10000E+01 volume  0.13800E+00 ppm1      7.418 ppm2      3.812
 ASSI { 8098}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  8098 weight  0.10000E+01 volume  0.34700E+00 ppm1      7.419 ppm2      4.300
 ASSI { 8099}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB3 ")
      5.000     5.000     0.000 peak  8099 weight  0.10000E+01 volume  0.82800E+00 ppm1      7.418 ppm2      1.549
 OR { 8099}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 8099}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB2 ")
 ASSI { 8101}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "20  " and name "HA  ")
      5.000     5.000     0.000 peak  8101 weight  0.10000E+01 volume  0.71900E+00 ppm1      7.415 ppm2      4.528
 ASSI { 8102}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB2 ")
      3.300     3.300     0.000 peak  8102 weight  0.10000E+01 volume  0.19740E+01 ppm1      7.416 ppm2      1.993
 OR { 8102}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 8103}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "20  " and name "HG1 ")
      3.300     3.300     0.000 peak  8103 weight  0.10000E+01 volume  0.21460E+01 ppm1      7.419 ppm2      1.927
 ASSI { 8104}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "20  " and name "HG2 ")
      5.000     5.000     0.000 peak  8104 weight  0.10000E+01 volume  0.81800E+00 ppm1      7.413 ppm2      1.813
 ASSI { 8105}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "21  " and name "HN  ")
      5.000     5.000     0.000 peak  8105 weight  0.10000E+01 volume  0.11870E+01 ppm1      7.417 ppm2      7.904
 ASSI { 8111}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  8111 weight  0.10000E+01 volume  0.22000E+00 ppm1      7.906 ppm2      3.828
 ASSI { 8112}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "20  " and name "HA  ")
      6.000     6.000     0.000 peak  8112 weight  0.10000E+01 volume  0.21300E+00 ppm1      7.900 ppm2      4.536
 ASSI { 8113}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB2 ")
      5.000     5.000     0.000 peak  8113 weight  0.10000E+01 volume  0.51300E+00 ppm1      7.900 ppm2      1.997
 OR { 8113}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 8115}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "21  " and name "HA1 ")
      3.300     3.300     0.000 peak  8115 weight  0.10000E+01 volume  0.15170E+01 ppm1      7.906 ppm2      4.288
 ASSI { 8116}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "21  " and name "HA2 ")
      3.300     3.300     0.000 peak  8116 weight  0.10000E+01 volume  0.15700E+01 ppm1      7.905 ppm2      3.575
 ASSI { 8117}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "22  " and name "HN  ")
      5.000     5.000     0.000 peak  8117 weight  0.10000E+01 volume  0.11370E+01 ppm1      7.903 ppm2      8.161
 ASSI { 8121}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB1 ")
      3.300     3.300     0.000 peak  8121 weight  0.10000E+01 volume  0.16010E+01 ppm1      8.153 ppm2      3.068
 ASSI { 8122}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB2 ")
      3.300     3.300     0.000 peak  8122 weight  0.10000E+01 volume  0.15970E+01 ppm1      8.153 ppm2      2.437
 ASSI { 8126}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HA  ")
      2.700     2.700     0.000 peak  8126 weight  0.10000E+01 volume  0.32590E+01 ppm1      7.877 ppm2      4.725
 ASSI { 8129}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HA  ")
      5.000     5.000     0.000 peak  8129 weight  0.10000E+01 volume  0.81300E+00 ppm1      7.875 ppm2      3.371
 ASSI { 8130}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB  ")
      5.000     5.000     0.000 peak  8130 weight  0.10000E+01 volume  0.14920E+01 ppm1      7.874 ppm2      1.959
 ASSI { 8131}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "24  " and name "HN  ")
      5.000     5.000     0.000 peak  8131 weight  0.10000E+01 volume  0.99700E+00 ppm1      7.876 ppm2      8.438
 ASSI { 8134}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HA  ")
      5.000     5.000     0.000 peak  8134 weight  0.10000E+01 volume  0.31400E+00 ppm1      8.440 ppm2      3.367
 ASSI { 8135}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB  ")
      5.000     5.000     0.000 peak  8135 weight  0.10000E+01 volume  0.93800E+00 ppm1      8.444 ppm2      1.960
 ASSI { 8136}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG21")
      5.000     5.000     0.000 peak  8136 weight  0.10000E+01 volume  0.12340E+01 ppm1      8.443 ppm2      0.914
 OR { 8136}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 8136}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG23")
 ASSI { 8138}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HA  ")
      5.000     5.000     0.000 peak  8138 weight  0.10000E+01 volume  0.84200E+00 ppm1      8.447 ppm2      4.009
 ASSI { 8139}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB2 ")
      2.700     2.700     0.000 peak  8139 weight  0.10000E+01 volume  0.30670E+01 ppm1      8.443 ppm2      2.208
 OR { 8139}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB1 ")
 ASSI { 8140}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG2 ")
      5.000     5.000     0.000 peak  8140 weight  0.10000E+01 volume  0.10070E+01 ppm1      8.445 ppm2      2.482
 OR { 8140}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG1 ")
 ASSI { 8141}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "25  " and name "HN  ")
      5.000     5.000     0.000 peak  8141 weight  0.10000E+01 volume  0.11130E+01 ppm1      8.444 ppm2      7.741
 ASSI { 8144}
     (segid "    " and resid "24  " and name "HE22")
     (segid "    " and resid "24  " and name "HE21")
      3.300     3.300     0.000 peak  8144 weight  0.10000E+01 volume  0.28250E+01 ppm1      6.874 ppm2      7.603
 ASSI { 8153}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HA  ")
      5.000     5.000     0.000 peak  8153 weight  0.10000E+01 volume  0.30000E+00 ppm1      7.740 ppm2      4.013
 ASSI { 8154}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB1 ")
      5.000     5.000     0.000 peak  8154 weight  0.10000E+01 volume  0.13540E+01 ppm1      7.742 ppm2      2.231
 ASSI { 8156}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
      5.000     5.000     0.000 peak  8156 weight  0.10000E+01 volume  0.65200E+00 ppm1      7.745 ppm2      4.620
 ASSI { 8157}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB2 ")
      5.000     5.000     0.000 peak  8157 weight  0.10000E+01 volume  0.14010E+01 ppm1      7.742 ppm2      1.584
 ASSI { 8158}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "25  " and name "HG1 ")
      5.000     5.000     0.000 peak  8158 weight  0.10000E+01 volume  0.46100E+00 ppm1      7.741 ppm2      2.348
 ASSI { 8159}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "26  " and name "HN  ")
      5.000     5.000     0.000 peak  8159 weight  0.10000E+01 volume  0.10730E+01 ppm1      7.745 ppm2      8.136
 ASSI { 8162}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB  ")
      2.700     2.700     0.000 peak  8162 weight  0.10000E+01 volume  0.32380E+01 ppm1      8.130 ppm2      2.166
 ASSI { 8166}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "29  " and name "HN  ")
      5.000     5.000     0.000 peak  8166 weight  0.10000E+01 volume  0.12470E+01 ppm1      8.142 ppm2      8.557
 ASSI { 8173}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  8173 weight  0.10000E+01 volume  0.20700E+00 ppm1      8.568 ppm2      3.386
 ASSI { 8174}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HA  ")
      5.000     5.000     0.000 peak  8174 weight  0.10000E+01 volume  0.50400E+00 ppm1      8.570 ppm2      4.003
 ASSI { 8175}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HG1 ")
      5.000     5.000     0.000 peak  8175 weight  0.10000E+01 volume  0.82700E+00 ppm1      8.570 ppm2      1.678
 ASSI { 8176}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     5.000     0.000 peak  8176 weight  0.10000E+01 volume  0.70000E+00 ppm1      8.568 ppm2      3.897
 ASSI { 8177}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB2 ")
      5.000     5.000     0.000 peak  8177 weight  0.10000E+01 volume  0.79800E+00 ppm1      8.570 ppm2      1.085
 ASSI { 8178}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HD13")
      5.000     5.000     0.000 peak  8178 weight  0.10000E+01 volume  0.14480E+01 ppm1      8.568 ppm2      0.757
 OR { 8178}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HD11")
 OR { 8178}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HD12")
 ASSI { 8179}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG  ")
      3.300     3.300     0.000 peak  8179 weight  0.10000E+01 volume  0.22160E+01 ppm1      8.569 ppm2      1.823
 ASSI { 8182}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     6.000     0.000 peak  8182 weight  0.10000E+01 volume  0.20500E+00 ppm1      8.155 ppm2      3.661
 ASSI { 8184}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HA  ")
      6.000     6.000     0.000 peak  8184 weight  0.10000E+01 volume  0.20200E+00 ppm1      8.149 ppm2      3.900
 ASSI { 8185}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB2 ")
      5.000     5.000     0.000 peak  8185 weight  0.10000E+01 volume  0.84400E+00 ppm1      8.150 ppm2      1.066
 ASSI { 8186}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HN  ")
      5.000     5.000     0.000 peak  8186 weight  0.10000E+01 volume  0.40700E+00 ppm1      8.152 ppm2      8.559
 ASSI { 8187}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      5.000     5.000     0.000 peak  8187 weight  0.10000E+01 volume  0.44900E+00 ppm1      8.151 ppm2      4.228
 ASSI { 8188}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB1 ")
      5.000     5.000     0.000 peak  8188 weight  0.10000E+01 volume  0.11170E+01 ppm1      8.151 ppm2      1.577
 ASSI { 8189}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
      5.000     5.000     0.000 peak  8189 weight  0.10000E+01 volume  0.65100E+00 ppm1      8.152 ppm2      0.665
 OR { 8189}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 8189}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 ASSI { 8190}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG  ")
      3.300     3.300     0.000 peak  8190 weight  0.10000E+01 volume  0.22320E+01 ppm1      8.147 ppm2      1.973
 ASSI { 8191}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "31  " and name "HN  ")
      5.000     5.000     0.000 peak  8191 weight  0.10000E+01 volume  0.59100E+00 ppm1      8.149 ppm2      8.746
 ASSI { 8196}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  8196 weight  0.10000E+01 volume  0.10100E+00 ppm1      8.748 ppm2      4.232
 ASSI { 8197}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB1 ")
      5.000     5.000     0.000 peak  8197 weight  0.10000E+01 volume  0.67300E+00 ppm1      8.750 ppm2      1.577
 ASSI { 8198}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB2 ")
      5.000     5.000     0.000 peak  8198 weight  0.10000E+01 volume  0.32800E+00 ppm1      8.743 ppm2      1.004
 ASSI { 8199}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
      6.000     6.000     0.000 peak  8199 weight  0.10000E+01 volume  0.14100E+00 ppm1      8.755 ppm2      0.661
 OR { 8199}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 8199}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 ASSI { 8201}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HA  ")
      5.000     5.000     0.000 peak  8201 weight  0.10000E+01 volume  0.45900E+00 ppm1      8.746 ppm2      4.647
 ASSI { 8202}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB2 ")
      5.000     5.000     0.000 peak  8202 weight  0.10000E+01 volume  0.12120E+01 ppm1      8.747 ppm2      3.122
 OR { 8202}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB1 ")
 ASSI { 8203}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HD2 ")
      6.000     6.000     0.000 peak  8203 weight  0.10000E+01 volume  0.20400E+00 ppm1      8.756 ppm2      6.963
 ASSI { 8204}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "32  " and name "HN  ")
      5.000     5.000     0.000 peak  8204 weight  0.10000E+01 volume  0.10510E+01 ppm1      8.745 ppm2      8.405
 ASSI { 8206}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HA  ")
      5.000     5.000     0.000 peak  8206 weight  0.10000E+01 volume  0.93600E+00 ppm1      8.406 ppm2      4.648
 ASSI { 8208}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "33  " and name "HN  ")
      3.300     3.300     0.000 peak  8208 weight  0.10000E+01 volume  0.16160E+01 ppm1      8.404 ppm2      7.535
 ASSI { 8217}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "33  " and name "HA  ")
      5.000     5.000     0.000 peak  8217 weight  0.10000E+01 volume  0.52500E+00 ppm1      7.546 ppm2      4.456
 ASSI { 8218}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "34  " and name "HN  ")
      5.000     5.000     0.000 peak  8218 weight  0.10000E+01 volume  0.83900E+00 ppm1      7.542 ppm2      6.815
 ASSI { 8224}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "33  " and name "HA  ")
      5.000     5.000     0.000 peak  8224 weight  0.10000E+01 volume  0.30600E+00 ppm1      6.810 ppm2      4.453
 ASSI { 8226}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "34  " and name "HA  ")
      3.300     3.300     0.000 peak  8226 weight  0.10000E+01 volume  0.20520E+01 ppm1      6.812 ppm2      4.012
 ASSI { 8227}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "34  " and name "HD21")
      5.000     5.000     0.000 peak  8227 weight  0.10000E+01 volume  0.60000E+00 ppm1      6.817 ppm2      0.837
 OR { 8227}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "34  " and name "HD23")
 OR { 8227}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "34  " and name "HD22")
 ASSI { 8228}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "34  " and name "HG  ")
      5.000     5.000     0.000 peak  8228 weight  0.10000E+01 volume  0.32900E+00 ppm1      6.815 ppm2      1.383
 ASSI { 8229}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "35  " and name "HN  ")
      5.000     5.000     0.000 peak  8229 weight  0.10000E+01 volume  0.63800E+00 ppm1      6.807 ppm2      7.974
 ASSI { 8230}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HA  ")
      5.000     5.000     0.000 peak  8230 weight  0.10000E+01 volume  0.71700E+00 ppm1      7.965 ppm2      4.010
 ASSI { 8232}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "35  " and name "HA  ")
      5.000     5.000     0.000 peak  8232 weight  0.10000E+01 volume  0.65200E+00 ppm1      7.966 ppm2      3.788
 ASSI { 8233}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "35  " and name "HB  ")
      3.300     3.300     0.000 peak  8233 weight  0.10000E+01 volume  0.16870E+01 ppm1      7.971 ppm2      1.582
 ASSI { 8234}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "35  " and name "HG11")
      3.300     3.300     0.000 peak  8234 weight  0.10000E+01 volume  0.28070E+01 ppm1      7.971 ppm2      0.954
 OR { 8234}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "35  " and name "HG23")
 OR { 8234}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "35  " and name "HG12")
 OR { 8234}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "35  " and name "HG22")
 OR { 8234}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "35  " and name "HG13")
 OR { 8234}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "35  " and name "HG21")
 ASSI { 8238}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "35  " and name "HA  ")
      3.300     3.300     0.000 peak  8238 weight  0.10000E+01 volume -0.26340E+01 ppm1      8.809 ppm2      3.791
 ASSI { 8239}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "35  " and name "HB  ")
      6.000     6.000     0.000 peak  8239 weight  0.10000E+01 volume -0.20600E+00 ppm1      8.813 ppm2      1.585
 ASSI { 8240}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "35  " and name "HG22")
      5.000     5.000     0.000 peak  8240 weight  0.10000E+01 volume -0.11560E+01 ppm1      8.809 ppm2      0.936
 OR { 8240}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "35  " and name "HG21")
 OR { 8240}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "35  " and name "HG23")
 ASSI { 8241}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HA  ")
      5.000     5.000     0.000 peak  8241 weight  0.10000E+01 volume -0.52000E+00 ppm1      8.809 ppm2      4.378
 ASSI { 8242}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HB1 ")
      5.000     5.000     0.000 peak  8242 weight  0.10000E+01 volume -0.12420E+01 ppm1      8.809 ppm2      3.204
 ASSI { 8243}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HB2 ")
      5.000     5.000     0.000 peak  8243 weight  0.10000E+01 volume -0.12230E+01 ppm1      8.809 ppm2      2.884
 ASSI { 8247}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "37  " and name "HG2 ")
      5.000     5.000     0.000 peak  8247 weight  0.10000E+01 volume  0.53200E+00 ppm1     10.208 ppm2      1.379
 ASSI { 8248}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak  8248 weight  0.10000E+01 volume  0.32200E+00 ppm1     10.214 ppm2      5.146
 ASSI { 8249}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB1 ")
      5.000     5.000     0.000 peak  8249 weight  0.10000E+01 volume  0.81200E+00 ppm1     10.205 ppm2      3.208
 ASSI { 8250}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB2 ")
      5.000     5.000     0.000 peak  8250 weight  0.10000E+01 volume  0.10600E+01 ppm1     10.208 ppm2      2.590
 ASSI { 8251}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "39  " and name "HN  ")
      5.000     5.000     0.000 peak  8251 weight  0.10000E+01 volume  0.13430E+01 ppm1     10.206 ppm2      7.864
 ASSI { 8257}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak  8257 weight  0.10000E+01 volume  0.61100E+00 ppm1      7.863 ppm2      5.148
 ASSI { 8258}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB1 ")
      6.000     6.000     0.000 peak  8258 weight  0.10000E+01 volume  0.21300E+00 ppm1      7.859 ppm2      3.212
 ASSI { 8259}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB2 ")
      6.000     6.000     0.000 peak  8259 weight  0.10000E+01 volume  0.20000E+00 ppm1      7.859 ppm2      2.593
 ASSI { 8261}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HA  ")
      3.300     3.300     0.000 peak  8261 weight  0.10000E+01 volume  0.18270E+01 ppm1      7.859 ppm2      4.054
 ASSI { 8262}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB3 ")
      2.700     2.700     0.000 peak  8262 weight  0.10000E+01 volume  0.64140E+01 ppm1      7.856 ppm2      1.387
 OR { 8262}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB1 ")
 OR { 8262}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB2 ")
 ASSI { 8264}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HA  ")
      2.700     2.700     0.000 peak  8264 weight  0.10000E+01 volume  0.32280E+01 ppm1      8.300 ppm2      4.049
 ASSI { 8265}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB2 ")
      5.000     5.000     0.000 peak  8265 weight  0.10000E+01 volume  0.10420E+01 ppm1      8.297 ppm2      1.389
 OR { 8265}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB1 ")
 OR { 8265}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB3 ")
 ASSI { 8267}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HA  ")
      5.000     5.000     0.000 peak  8267 weight  0.10000E+01 volume  0.10070E+01 ppm1      8.305 ppm2      4.317
 ASSI { 8268}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HB2 ")
      5.000     5.000     0.000 peak  8268 weight  0.10000E+01 volume  0.71600E+00 ppm1      8.306 ppm2      1.266
 ASSI { 8269}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HD11")
      5.000     5.000     0.000 peak  8269 weight  0.10000E+01 volume  0.37800E+00 ppm1      8.307 ppm2      0.908
 OR { 8269}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HD13")
 OR { 8269}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HD12")
 ASSI { 8270}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HD23")
      5.000     5.000     0.000 peak  8270 weight  0.10000E+01 volume  0.50900E+00 ppm1      8.305 ppm2      0.669
 OR { 8270}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HD22")
 OR { 8270}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HD21")
 ASSI { 8271}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "41  " and name "HN  ")
      6.000     6.000     0.000 peak  8271 weight  0.10000E+01 volume  0.27600E+00 ppm1      8.305 ppm2      8.834
 ASSI { 8273}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HA  ")
      3.300     3.300     0.000 peak  8273 weight  0.10000E+01 volume  0.21190E+01 ppm1      8.847 ppm2      4.315
 ASSI { 8274}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HB1 ")
      5.000     5.000     0.000 peak  8274 weight  0.10000E+01 volume  0.35000E+00 ppm1      8.854 ppm2      1.790
 ASSI { 8275}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HB2 ")
      5.000     5.000     0.000 peak  8275 weight  0.10000E+01 volume  0.47700E+00 ppm1      8.851 ppm2      1.269
 ASSI { 8276}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HD22")
      5.000     5.000     0.000 peak  8276 weight  0.10000E+01 volume  0.41900E+00 ppm1      8.847 ppm2      0.671
 OR { 8276}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HD23")
 OR { 8276}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HD21")
 ASSI { 8277}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HA  ")
      5.000     5.000     0.000 peak  8277 weight  0.10000E+01 volume  0.50300E+00 ppm1      8.849 ppm2      4.486
 ASSI { 8278}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB1 ")
      6.000     6.000     0.000 peak  8278 weight  0.10000E+01 volume  0.23500E+00 ppm1      8.863 ppm2      3.909
 ASSI { 8279}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB2 ")
      6.000     6.000     0.000 peak  8279 weight  0.10000E+01 volume  0.29800E+00 ppm1      8.849 ppm2      2.812
 ASSI { 8280}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "45  " and name "HN  ")
      5.000     5.000     0.000 peak  8280 weight  0.10000E+01 volume  0.31600E+00 ppm1      8.850 ppm2      7.449
 ASSI { 8284}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB1 ")
      5.000     5.000     0.000 peak  8284 weight  0.10000E+01 volume  0.78700E+00 ppm1      9.846 ppm2      3.893
 ASSI { 8285}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB2 ")
      5.000     5.000     0.000 peak  8285 weight  0.10000E+01 volume  0.51300E+00 ppm1      9.847 ppm2      2.825
 ASSI { 8286}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HA  ")
      5.000     5.000     0.000 peak  8286 weight  0.10000E+01 volume  0.44900E+00 ppm1      9.850 ppm2      4.166
 ASSI { 8287}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB1 ")
      5.000     5.000     0.000 peak  8287 weight  0.10000E+01 volume  0.56300E+00 ppm1      9.851 ppm2      1.897
 ASSI { 8288}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB2 ")
      5.000     5.000     0.000 peak  8288 weight  0.10000E+01 volume  0.56100E+00 ppm1      9.847 ppm2      1.770
 ASSI { 8289}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD2 ")
      6.000     6.000     0.000 peak  8289 weight  0.10000E+01 volume  0.18500E+00 ppm1      9.850 ppm2      2.951
 OR { 8289}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD1 ")
 ASSI { 8290}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HG1 ")
      5.000     5.000     0.000 peak  8290 weight  0.10000E+01 volume  0.48500E+00 ppm1      9.847 ppm2      1.255
 ASSI { 8291}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HG2 ")
      6.000     6.000     0.000 peak  8291 weight  0.10000E+01 volume  0.22700E+00 ppm1      9.852 ppm2      0.265
 ASSI { 8292}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "43  " and name "HN  ")
      5.000     5.000     0.000 peak  8292 weight  0.10000E+01 volume  0.41100E+00 ppm1      9.845 ppm2      7.934
 ASSI { 8293}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "42  " and name "HG2 ")
      6.000     6.000     0.000 peak  8293 weight  0.10000E+01 volume  0.17700E+00 ppm1      7.927 ppm2      0.277
 ASSI { 8294}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HA  ")
      5.000     5.000     0.000 peak  8294 weight  0.10000E+01 volume  0.70000E+00 ppm1      7.936 ppm2      4.855
 ASSI { 8295}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB1 ")
      5.000     5.000     0.000 peak  8295 weight  0.10000E+01 volume  0.60400E+00 ppm1      7.929 ppm2      3.553
 ASSI { 8296}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB2 ")
      3.300     3.300     0.000 peak  8296 weight  0.10000E+01 volume  0.18480E+01 ppm1      7.927 ppm2      2.797
 ASSI { 8297}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD2 ")
      5.000     5.000     0.000 peak  8297 weight  0.10000E+01 volume  0.57600E+00 ppm1      7.925 ppm2      7.228
 OR { 8297}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD1 ")
 ASSI { 8298}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "44  " and name "HN  ")
      3.300     3.300     0.000 peak  8298 weight  0.10000E+01 volume  0.16240E+01 ppm1      7.925 ppm2      8.491
 ASSI { 8304}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB1 ")
      6.000     6.000     0.000 peak  8304 weight  0.10000E+01 volume  0.16600E+00 ppm1      8.494 ppm2      3.550
 ASSI { 8305}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB2 ")
      6.000     6.000     0.000 peak  8305 weight  0.10000E+01 volume  0.11400E+00 ppm1      8.496 ppm2      2.815
 ASSI { 8307}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA1 ")
      5.000     5.000     0.000 peak  8307 weight  0.10000E+01 volume  0.13400E+01 ppm1      8.492 ppm2      4.211
 ASSI { 8308}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA2 ")
      5.000     5.000     0.000 peak  8308 weight  0.10000E+01 volume  0.14090E+01 ppm1      8.492 ppm2      3.716
 ASSI { 8313}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "43  " and name "HN  ")
      5.000     5.000     0.000 peak  8313 weight  0.10000E+01 volume  0.38400E+00 ppm1      7.458 ppm2      7.932
 ASSI { 8314}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA1 ")
      5.000     5.000     0.000 peak  8314 weight  0.10000E+01 volume  0.49400E+00 ppm1      7.453 ppm2      4.211
 ASSI { 8315}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA2 ")
      5.000     5.000     0.000 peak  8315 weight  0.10000E+01 volume  0.50700E+00 ppm1      7.462 ppm2      3.716
 ASSI { 8316}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HN  ")
      3.300     3.300     0.000 peak  8316 weight  0.10000E+01 volume  0.16980E+01 ppm1      7.452 ppm2      8.489
 ASSI { 8317}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HA  ")
      5.000     5.000     0.000 peak  8317 weight  0.10000E+01 volume  0.50200E+00 ppm1      7.458 ppm2      4.858
 ASSI { 8318}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak  8318 weight  0.10000E+01 volume  0.53300E+00 ppm1      7.457 ppm2      1.880
 ASSI { 8319}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB2 ")
      5.000     5.000     0.000 peak  8319 weight  0.10000E+01 volume  0.95500E+00 ppm1      7.456 ppm2      1.544
 ASSI { 8320}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HG1 ")
      5.000     5.000     0.000 peak  8320 weight  0.10000E+01 volume  0.68800E+00 ppm1      7.464 ppm2      1.393
 ASSI { 8327}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HA  ")
      3.300     3.300     0.000 peak  8327 weight  0.10000E+01 volume  0.15750E+01 ppm1      9.207 ppm2      4.857
 ASSI { 8328}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HG2 ")
      6.000     6.000     0.000 peak  8328 weight  0.10000E+01 volume  0.22900E+00 ppm1      9.200 ppm2      1.347
 ASSI { 8329}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG22")
      5.000     5.000     0.000 peak  8329 weight  0.10000E+01 volume  0.89100E+00 ppm1      9.210 ppm2      1.202
 OR { 8329}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG21")
 OR { 8329}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG23")
 ASSI { 8332}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HB  ")
      5.000     5.000     0.000 peak  8332 weight  0.10000E+01 volume  0.69400E+00 ppm1     10.260 ppm2      4.915
 ASSI { 8333}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "47  " and name "HB2 ")
      5.000     5.000     0.000 peak  8333 weight  0.10000E+01 volume  0.10980E+01 ppm1     10.255 ppm2      1.227
 OR { 8333}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "47  " and name "HB1 ")
 OR { 8333}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "47  " and name "HB3 ")
 ASSI { 8336}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "47  " and name "HB3 ")
      3.300     3.300     0.000 peak  8336 weight  0.10000E+01 volume  0.16730E+01 ppm1      8.373 ppm2      1.233
 OR { 8336}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "47  " and name "HB2 ")
 OR { 8336}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "47  " and name "HB1 ")
 ASSI { 8338}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HA  ")
      5.000     5.000     0.000 peak  8338 weight  0.10000E+01 volume  0.80100E+00 ppm1      8.377 ppm2      3.766
 ASSI { 8339}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB1 ")
      3.300     3.300     0.000 peak  8339 weight  0.10000E+01 volume  0.29570E+01 ppm1      8.379 ppm2      1.557
 ASSI { 8340}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB2 ")
      3.300     3.300     0.000 peak  8340 weight  0.10000E+01 volume  0.17070E+01 ppm1      8.373 ppm2      1.405
 ASSI { 8341}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "49  " and name "HN  ")
      5.000     5.000     0.000 peak  8341 weight  0.10000E+01 volume  0.39600E+00 ppm1      8.372 ppm2      7.384
 ASSI { 8347}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB2 ")
      5.000     5.000     0.000 peak  8347 weight  0.10000E+01 volume  0.36500E+00 ppm1      7.384 ppm2      1.405
 ASSI { 8349}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
      5.000     5.000     0.000 peak  8349 weight  0.10000E+01 volume  0.54300E+00 ppm1      7.377 ppm2      4.188
 ASSI { 8350}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB1 ")
      5.000     5.000     0.000 peak  8350 weight  0.10000E+01 volume  0.64500E+00 ppm1      7.382 ppm2      2.615
 ASSI { 8351}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB2 ")
      5.000     5.000     0.000 peak  8351 weight  0.10000E+01 volume  0.82300E+00 ppm1      7.383 ppm2      2.143
 ASSI { 8352}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG1 ")
      5.000     5.000     0.000 peak  8352 weight  0.10000E+01 volume  0.78200E+00 ppm1      7.380 ppm2      2.704
 ASSI { 8353}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG2 ")
      5.000     5.000     0.000 peak  8353 weight  0.10000E+01 volume  0.64400E+00 ppm1      7.382 ppm2      2.222
 ASSI { 8354}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "50  " and name "HN  ")
      5.000     5.000     0.000 peak  8354 weight  0.10000E+01 volume  0.87700E+00 ppm1      7.384 ppm2      7.183
 ASSI { 8359}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HA  ")
      5.000     5.000     0.000 peak  8359 weight  0.10000E+01 volume  0.33500E+00 ppm1      7.190 ppm2      4.642
 ASSI { 8360}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HB  ")
      6.000     6.000     0.000 peak  8360 weight  0.10000E+01 volume  0.28100E+00 ppm1      7.187 ppm2      2.508
 ASSI { 8361}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HG22")
      3.300     3.300     0.000 peak  8361 weight  0.10000E+01 volume  0.26260E+01 ppm1      7.191 ppm2      0.898
 OR { 8361}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HG21")
 OR { 8361}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HG23")
 ASSI { 8365}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HA  ")
      6.000     6.000     0.000 peak  8365 weight  0.10000E+01 volume  0.24300E+00 ppm1      6.858 ppm2      4.644
 ASSI { 8366}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HG22")
      5.000     5.000     0.000 peak  8366 weight  0.10000E+01 volume  0.76100E+00 ppm1      6.849 ppm2      0.904
 OR { 8366}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HG21")
 OR { 8366}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HG23")
 ASSI { 8367}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HN  ")
      3.300     3.300     0.000 peak  8367 weight  0.10000E+01 volume  0.18150E+01 ppm1      6.851 ppm2      7.183
 ASSI { 8368}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak  8368 weight  0.10000E+01 volume  0.47700E+00 ppm1      6.852 ppm2      3.446
 ASSI { 8369}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB1 ")
      5.000     5.000     0.000 peak  8369 weight  0.10000E+01 volume  0.87800E+00 ppm1      6.848 ppm2      1.947
 ASSI { 8370}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB2 ")
      5.000     5.000     0.000 peak  8370 weight  0.10000E+01 volume  0.43500E+00 ppm1      6.847 ppm2      1.440
 ASSI { 8371}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HG1 ")
      5.000     5.000     0.000 peak  8371 weight  0.10000E+01 volume  0.12480E+01 ppm1      6.851 ppm2      2.324
 ASSI { 8372}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HG2 ")
      5.000     5.000     0.000 peak  8372 weight  0.10000E+01 volume  0.64600E+00 ppm1      6.839 ppm2      1.179
 ASSI { 8377}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak  8377 weight  0.10000E+01 volume  0.13160E+01 ppm1      7.133 ppm2      3.442
 ASSI { 8378}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB2 ")
      5.000     5.000     0.000 peak  8378 weight  0.10000E+01 volume  0.49700E+00 ppm1      7.128 ppm2      1.442
 ASSI { 8379}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
      3.300     3.300     0.000 peak  8379 weight  0.10000E+01 volume  0.16540E+01 ppm1      7.131 ppm2      4.277
 ASSI { 8380}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB2 ")
      5.000     5.000     0.000 peak  8380 weight  0.10000E+01 volume  0.87100E+00 ppm1      7.125 ppm2      1.844
 ASSI { 8383}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
      3.300     3.300     0.000 peak  8383 weight  0.10000E+01 volume -0.22690E+01 ppm1      8.288 ppm2      4.245
 ASSI { 8384}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "52  " and name "HG1 ")
      6.000     6.000     0.000 peak  8384 weight  0.10000E+01 volume -0.21700E+00 ppm1      8.294 ppm2      2.562
 ASSI { 8385}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HA  ")
      5.000     5.000     0.000 peak  8385 weight  0.10000E+01 volume -0.44500E+00 ppm1      8.288 ppm2      3.915
 ASSI { 8386}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HB1 ")
      5.000     5.000     0.000 peak  8386 weight  0.10000E+01 volume -0.56700E+00 ppm1      8.291 ppm2      2.837
 ASSI { 8387}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HB2 ")
      5.000     5.000     0.000 peak  8387 weight  0.10000E+01 volume -0.10030E+01 ppm1      8.294 ppm2      2.717
 ASSI { 8388}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD1 ")
      5.000     5.000     0.000 peak  8388 weight  0.10000E+01 volume -0.47700E+00 ppm1      8.290 ppm2      7.193
 OR { 8388}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD2 ")
 ASSI { 8389}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HZ  ")
      6.000     6.000     0.000 peak  8389 weight  0.10000E+01 volume -0.96000E-01 ppm1      8.287 ppm2      7.446
 ASSI { 8391}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HA1 ")
      5.000     5.000     0.000 peak  8391 weight  0.10000E+01 volume -0.64300E+00 ppm1      7.877 ppm2      3.198
 ASSI { 8392}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HA2 ")
      5.000     5.000     0.000 peak  8392 weight  0.10000E+01 volume -0.60900E+00 ppm1      7.877 ppm2      3.143
 ASSI { 8397}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HA2 ")
      5.000     5.000     0.000 peak  8397 weight  0.10000E+01 volume  0.52300E+00 ppm1      7.499 ppm2      3.158
 ASSI { 8398}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HN  ")
      6.000     6.000     0.000 peak  8398 weight  0.10000E+01 volume  0.28300E+00 ppm1      7.503 ppm2      7.890
 ASSI { 8399}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA  ")
      5.000     5.000     0.000 peak  8399 weight  0.10000E+01 volume  0.32000E+00 ppm1      7.495 ppm2      5.065
 ASSI { 8400}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HB1 ")
      3.300     3.300     0.000 peak  8400 weight  0.10000E+01 volume  0.16110E+01 ppm1      7.490 ppm2      3.982
 ASSI { 8401}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HB2 ")
      5.000     5.000     0.000 peak  8401 weight  0.10000E+01 volume  0.13840E+01 ppm1      7.487 ppm2      3.703
 ASSI { 8407}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB2 ")
      5.000     5.000     0.000 peak  8407 weight  0.10000E+01 volume  0.91000E+00 ppm1      8.043 ppm2      1.973
 OR { 8407}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 8408}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD2 ")
      6.000     6.000     0.000 peak  8408 weight  0.10000E+01 volume  0.16600E+00 ppm1      8.043 ppm2      3.372
 ASSI { 8409}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HG2 ")
      5.000     5.000     0.000 peak  8409 weight  0.10000E+01 volume  0.10740E+01 ppm1      8.046 ppm2      2.048
 OR { 8409}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HG1 ")
 ASSI { 8410}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA  ")
      5.000     5.000     0.000 peak  8410 weight  0.10000E+01 volume  0.82000E+00 ppm1      8.043 ppm2      4.104
 ASSI { 8411}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "57  " and name "HB3 ")
      3.300     3.300     0.000 peak  8411 weight  0.10000E+01 volume  0.25350E+01 ppm1      8.043 ppm2      1.442
 OR { 8411}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "57  " and name "HB2 ")
 OR { 8411}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "57  " and name "HB1 ")
 ASSI { 8412}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "58  " and name "HN  ")
      5.000     5.000     0.000 peak  8412 weight  0.10000E+01 volume  0.59100E+00 ppm1      8.046 ppm2      7.799
 ASSI { 8415}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HA  ")
      5.000     5.000     0.000 peak  8415 weight  0.10000E+01 volume  0.77800E+00 ppm1      7.805 ppm2      3.414
 ASSI { 8416}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB  ")
      3.300     3.300     0.000 peak  8416 weight  0.10000E+01 volume  0.21180E+01 ppm1      7.805 ppm2      2.322
 ASSI { 8418}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG12")
      3.300     3.300     0.000 peak  8418 weight  0.10000E+01 volume  0.26240E+01 ppm1      7.807 ppm2      0.918
 OR { 8418}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG11")
 OR { 8418}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG13")
 ASSI { 8417}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG22")
      2.700     2.700     0.000 peak  8417 weight  0.10000E+01 volume  0.31030E+01 ppm1      7.805 ppm2      0.982
 OR { 8417}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG21")
 OR { 8417}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG23")
 ASSI { 8419}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HN  ")
      5.000     5.000     0.000 peak  8419 weight  0.10000E+01 volume  0.12830E+01 ppm1      7.799 ppm2      7.069
 ASSI { 8425}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "56  " and name "HA  ")
      5.000     5.000     0.000 peak  8425 weight  0.10000E+01 volume  0.40700E+00 ppm1      7.072 ppm2      4.316
 ASSI { 8426}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HA  ")
      5.000     5.000     0.000 peak  8426 weight  0.10000E+01 volume  0.40700E+00 ppm1      7.073 ppm2      3.417
 ASSI { 8427}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB  ")
      5.000     5.000     0.000 peak  8427 weight  0.10000E+01 volume  0.99100E+00 ppm1      7.064 ppm2      2.318
 ASSI { 8429}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HA  ")
      5.000     5.000     0.000 peak  8429 weight  0.10000E+01 volume  0.67900E+00 ppm1      7.068 ppm2      3.733
 ASSI { 8430}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB2 ")
      3.300     3.300     0.000 peak  8430 weight  0.10000E+01 volume  0.24210E+01 ppm1      7.066 ppm2      1.312
 OR { 8430}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 8430}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB3 ")
 ASSI { 8431}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "60  " and name "HN  ")
      5.000     5.000     0.000 peak  8431 weight  0.10000E+01 volume  0.72500E+00 ppm1      7.071 ppm2      8.383
 ASSI { 8432}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA  ")
      5.000     5.000     0.000 peak  8432 weight  0.10000E+01 volume  0.44300E+00 ppm1      8.388 ppm2      4.098
 ASSI { 8433}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HA  ")
      5.000     5.000     0.000 peak  8433 weight  0.10000E+01 volume  0.10880E+01 ppm1      8.390 ppm2      3.726
 ASSI { 8434}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB1 ")
      3.300     3.300     0.000 peak  8434 weight  0.10000E+01 volume  0.20490E+01 ppm1      8.390 ppm2      1.313
 OR { 8434}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 8434}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB3 ")
 ASSI { 8437}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "60  " and name "HA  ")
      5.000     5.000     0.000 peak  8437 weight  0.10000E+01 volume  0.11740E+01 ppm1      8.394 ppm2      3.628
 ASSI { 8438}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB1 ")
      2.700     2.700     0.000 peak  8438 weight  0.10000E+01 volume  0.32850E+01 ppm1      8.390 ppm2      1.786
 ASSI { 8439}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB2 ")
      2.700     2.700     0.000 peak  8439 weight  0.10000E+01 volume  0.30960E+01 ppm1      8.390 ppm2      1.600
 ASSI { 8440}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "61  " and name "HN  ")
      5.000     5.000     0.000 peak  8440 weight  0.10000E+01 volume  0.82200E+00 ppm1      8.390 ppm2      7.636
 ASSI { 8442}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "58  " and name "HA  ")
      6.000     6.000     0.000 peak  8442 weight  0.10000E+01 volume  0.16500E+00 ppm1      7.634 ppm2      3.413
 ASSI { 8444}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HA  ")
      6.000     6.000     0.000 peak  8444 weight  0.10000E+01 volume  0.14100E+00 ppm1      7.632 ppm2      3.633
 ASSI { 8445}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB1 ")
      5.000     5.000     0.000 peak  8445 weight  0.10000E+01 volume  0.13480E+01 ppm1      7.637 ppm2      1.794
 ASSI { 8447}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HA  ")
      5.000     5.000     0.000 peak  8447 weight  0.10000E+01 volume  0.75100E+00 ppm1      7.635 ppm2      3.875
 ASSI { 8448}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB2 ")
      3.300     3.300     0.000 peak  8448 weight  0.10000E+01 volume  0.22180E+01 ppm1      7.634 ppm2      1.935
 OR { 8448}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB1 ")
 ASSI { 8449}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG1 ")
      5.000     5.000     0.000 peak  8449 weight  0.10000E+01 volume  0.69100E+00 ppm1      7.635 ppm2      2.453
 ASSI { 8450}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG2 ")
      5.000     5.000     0.000 peak  8450 weight  0.10000E+01 volume  0.82700E+00 ppm1      7.638 ppm2      2.094
 ASSI { 8451}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "62  " and name "HN  ")
      5.000     5.000     0.000 peak  8451 weight  0.10000E+01 volume  0.56900E+00 ppm1      7.635 ppm2      7.499
 ASSI { 8457}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HA  ")
      6.000     6.000     0.000 peak  8457 weight  0.10000E+01 volume  0.29300E+00 ppm1      7.502 ppm2      3.872
 ASSI { 8460}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "62  " and name "HA  ")
      5.000     5.000     0.000 peak  8460 weight  0.10000E+01 volume  0.62000E+00 ppm1      7.502 ppm2      3.763
 ASSI { 8461}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "62  " and name "HB1 ")
      3.300     3.300     0.000 peak  8461 weight  0.10000E+01 volume  0.15580E+01 ppm1      7.503 ppm2      1.852
 ASSI { 8462}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "62  " and name "HG  ")
      3.300     3.300     0.000 peak  8462 weight  0.10000E+01 volume  0.17430E+01 ppm1      7.504 ppm2      1.728
 ASSI { 8463}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "63  " and name "HN  ")
      5.000     5.000     0.000 peak  8463 weight  0.10000E+01 volume  0.64300E+00 ppm1      7.505 ppm2      8.596
 ASSI { 8465}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "60  " and name "HA  ")
      6.000     6.000     0.000 peak  8465 weight  0.10000E+01 volume  0.25000E+00 ppm1      8.590 ppm2      3.643
 ASSI { 8466}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "62  " and name "HA  ")
      6.000     6.000     0.000 peak  8466 weight  0.10000E+01 volume  0.25800E+00 ppm1      8.583 ppm2      3.763
 ASSI { 8469}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA  ")
      5.000     5.000     0.000 peak  8469 weight  0.10000E+01 volume  0.76100E+00 ppm1      8.587 ppm2      3.897
 ASSI { 8470}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "63  " and name "HD12")
      5.000     5.000     0.000 peak  8470 weight  0.10000E+01 volume  0.79400E+00 ppm1      8.591 ppm2      0.648
 OR { 8470}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "63  " and name "HD13")
 OR { 8470}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "63  " and name "HD11")
 ASSI { 8471}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "63  " and name "HG  ")
      5.000     5.000     0.000 peak  8471 weight  0.10000E+01 volume  0.13080E+01 ppm1      8.591 ppm2      1.599
 ASSI { 8472}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "64  " and name "HN  ")
      5.000     5.000     0.000 peak  8472 weight  0.10000E+01 volume  0.45900E+00 ppm1      8.591 ppm2      8.945
 ASSI { 8479}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HB1 ")
      5.000     5.000     0.000 peak  8479 weight  0.10000E+01 volume  0.59400E+00 ppm1      8.947 ppm2      1.225
 ASSI { 8480}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HD11")
      6.000     6.000     0.000 peak  8480 weight  0.10000E+01 volume  0.20100E+00 ppm1      8.958 ppm2      0.646
 OR { 8480}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HD12")
 OR { 8480}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HD13")
 ASSI { 8481}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HD23")
      5.000     5.000     0.000 peak  8481 weight  0.10000E+01 volume  0.62600E+00 ppm1      8.958 ppm2      0.835
 OR { 8481}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HD21")
 OR { 8481}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HD22")
 ASSI { 8483}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HA  ")
      5.000     5.000     0.000 peak  8483 weight  0.10000E+01 volume  0.77200E+00 ppm1      8.952 ppm2      4.105
 ASSI { 8484}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB1 ")
      3.300     3.300     0.000 peak  8484 weight  0.10000E+01 volume  0.18030E+01 ppm1      8.952 ppm2      1.983
 ASSI { 8485}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB2 ")
      3.300     3.300     0.000 peak  8485 weight  0.10000E+01 volume  0.17690E+01 ppm1      8.955 ppm2      1.905
 ASSI { 8486}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HG2 ")
      5.000     5.000     0.000 peak  8486 weight  0.10000E+01 volume  0.11600E+01 ppm1      8.954 ppm2      1.629
 OR { 8486}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HG1 ")
 ASSI { 8487}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "65  " and name "HN  ")
      5.000     5.000     0.000 peak  8487 weight  0.10000E+01 volume  0.85700E+00 ppm1      8.954 ppm2      6.997
 ASSI { 8492}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB1 ")
      5.000     5.000     0.000 peak  8492 weight  0.10000E+01 volume  0.12270E+01 ppm1      7.002 ppm2      1.931
 OR { 8492}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB2 ")
 ASSI { 8494}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HA  ")
      5.000     5.000     0.000 peak  8494 weight  0.10000E+01 volume  0.64400E+00 ppm1      7.002 ppm2      4.507
 ASSI { 8495}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HB1 ")
      5.000     5.000     0.000 peak  8495 weight  0.10000E+01 volume  0.95400E+00 ppm1      6.997 ppm2      2.167
 ASSI { 8496}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HB2 ")
      3.300     3.300     0.000 peak  8496 weight  0.10000E+01 volume  0.20330E+01 ppm1      6.996 ppm2      2.023
 ASSI { 8497}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG1 ")
      6.000     6.000     0.000 peak  8497 weight  0.10000E+01 volume  0.21800E+00 ppm1      7.005 ppm2      2.562
 ASSI { 8498}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG2 ")
      5.000     5.000     0.000 peak  8498 weight  0.10000E+01 volume  0.36300E+00 ppm1      7.003 ppm2      2.451
 ASSI { 8499}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "66  " and name "HN  ")
      5.000     5.000     0.000 peak  8499 weight  0.10000E+01 volume  0.96200E+00 ppm1      7.003 ppm2      7.601
 ASSI { 8506}
     (segid "    " and resid "65  " and name "HE22")
     (segid "    " and resid "65  " and name "HG1 ")
      5.000     5.000     0.000 peak  8506 weight  0.10000E+01 volume  0.42000E+00 ppm1      6.795 ppm2      2.560
 ASSI { 8507}
     (segid "    " and resid "65  " and name "HE22")
     (segid "    " and resid "65  " and name "HG2 ")
      5.000     5.000     0.000 peak  8507 weight  0.10000E+01 volume  0.30100E+00 ppm1      6.784 ppm2      2.434
 ASSI { 8515}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  8515 weight  0.10000E+01 volume  0.97800E+00 ppm1      8.029 ppm2      4.024
 ASSI { 8516}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HB1 ")
      3.300     3.300     0.000 peak  8516 weight  0.10000E+01 volume  0.26890E+01 ppm1      8.024 ppm2      1.122
 OR { 8516}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HB3 ")
 OR { 8516}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HB2 ")
 ASSI { 8517}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "68  " and name "HN  ")
      6.000     6.000     0.000 peak  8517 weight  0.10000E+01 volume  0.17500E+00 ppm1      8.022 ppm2     10.194
 ASSI { 8520}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HB3 ")
      5.000     5.000     0.000 peak  8520 weight  0.10000E+01 volume  0.61800E+00 ppm1     10.197 ppm2      1.124
 OR { 8520}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HB1 ")
 OR { 8520}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HB2 ")
 ASSI { 8529}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak  8529 weight  0.10000E+01 volume  0.27800E+00 ppm1      7.981 ppm2      4.406
 ASSI { 8530}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HA  ")
      5.000     5.000     0.000 peak  8530 weight  0.10000E+01 volume  0.83200E+00 ppm1      7.982 ppm2      5.147
 ASSI { 8531}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HB1 ")
      5.000     5.000     0.000 peak  8531 weight  0.10000E+01 volume  0.81500E+00 ppm1      7.983 ppm2      3.008
 ASSI { 8532}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HB2 ")
      5.000     5.000     0.000 peak  8532 weight  0.10000E+01 volume  0.13330E+01 ppm1      7.979 ppm2      2.796
 ASSI { 8539}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HA  ")
      3.300     3.300     0.000 peak  8539 weight  0.10000E+01 volume  0.21870E+01 ppm1      6.879 ppm2      5.146
 ASSI { 8540}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HB1 ")
      6.000     6.000     0.000 peak  8540 weight  0.10000E+01 volume  0.17300E+00 ppm1      6.882 ppm2      2.993
 ASSI { 8541}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HB2 ")
      6.000     6.000     0.000 peak  8541 weight  0.10000E+01 volume  0.16600E+00 ppm1      6.866 ppm2      2.796
 ASSI { 8542}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HN  ")
      5.000     5.000     0.000 peak  8542 weight  0.10000E+01 volume  0.67800E+00 ppm1      6.882 ppm2      7.982
 ASSI { 8543}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HA  ")
      5.000     5.000     0.000 peak  8543 weight  0.10000E+01 volume  0.14300E+01 ppm1      6.876 ppm2      4.322
 ASSI { 8544}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HB  ")
      5.000     5.000     0.000 peak  8544 weight  0.10000E+01 volume  0.81500E+00 ppm1      6.882 ppm2      2.050
 ASSI { 8546}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HG13")
      2.700     2.700     0.000 peak  8546 weight  0.10000E+01 volume  0.30220E+01 ppm1      6.879 ppm2      0.845
 OR { 8546}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HG12")
 OR { 8546}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HG11")
 ASSI { 8545}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HG21")
      3.300     3.300     0.000 peak  8545 weight  0.10000E+01 volume  0.28390E+01 ppm1      6.879 ppm2      0.928
 OR { 8545}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HG23")
 OR { 8545}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HG22")
 ASSI { 8547}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "72  " and name "HN  ")
      6.000     6.000     0.000 peak  8547 weight  0.10000E+01 volume  0.12400E+00 ppm1      6.882 ppm2      8.206
 ASSI { 8549}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HA  ")
      2.700     2.700     0.000 peak  8549 weight  0.10000E+01 volume  0.39630E+01 ppm1      8.200 ppm2      4.326
 ASSI { 8550}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HB  ")
      3.300     3.300     0.000 peak  8550 weight  0.10000E+01 volume  0.17370E+01 ppm1      8.203 ppm2      2.046
 ASSI { 8552}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HG12")
      5.000     5.000     0.000 peak  8552 weight  0.10000E+01 volume  0.84600E+00 ppm1      8.198 ppm2      0.837
 OR { 8552}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HG11")
 OR { 8552}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HG13")
 ASSI { 8551}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HG23")
      5.000     5.000     0.000 peak  8551 weight  0.10000E+01 volume  0.87500E+00 ppm1      8.199 ppm2      0.929
 OR { 8551}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HG22")
 OR { 8551}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HG21")
 ASSI { 8553}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HA  ")
      5.000     5.000     0.000 peak  8553 weight  0.10000E+01 volume  0.65400E+00 ppm1      8.200 ppm2      4.996
 ASSI { 8554}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HB2 ")
      5.000     5.000     0.000 peak  8554 weight  0.10000E+01 volume  0.84000E+00 ppm1      8.197 ppm2      1.835
 ASSI { 8555}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HG1 ")
      5.000     5.000     0.000 peak  8555 weight  0.10000E+01 volume  0.73900E+00 ppm1      8.193 ppm2      2.249
 OR { 8555}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HG2 ")
 ASSI { 8561}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "72  " and name "HA  ")
      3.300     3.300     0.000 peak  8561 weight  0.10000E+01 volume  0.29560E+01 ppm1      7.992 ppm2      4.996
 ASSI { 8562}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HA  ")
      3.300     3.300     0.000 peak  8562 weight  0.10000E+01 volume  0.24050E+01 ppm1      7.991 ppm2      4.921
 ASSI { 8563}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB1 ")
      5.000     5.000     0.000 peak  8563 weight  0.10000E+01 volume  0.32400E+00 ppm1      7.988 ppm2      3.527
 ASSI { 8564}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB2 ")
      5.000     5.000     0.000 peak  8564 weight  0.10000E+01 volume  0.71700E+00 ppm1      7.982 ppm2      2.664
 ASSI { 8567}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "74  " and name "HA  ")
      5.000     5.000     0.000 peak  8567 weight  0.10000E+01 volume  0.44700E+00 ppm1      8.360 ppm2      4.242
 ASSI { 8568}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB3 ")
      5.000     5.000     0.000 peak  8568 weight  0.10000E+01 volume  0.52300E+00 ppm1      8.363 ppm2      1.548
 OR { 8568}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 8568}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB2 ")
 ASSI { 8569}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "75  " and name "HA  ")
      3.300     3.300     0.000 peak  8569 weight  0.10000E+01 volume  0.15970E+01 ppm1      8.358 ppm2      4.674
 ASSI { 8570}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "75  " and name "HB1 ")
      5.000     5.000     0.000 peak  8570 weight  0.10000E+01 volume  0.83300E+00 ppm1      8.363 ppm2      4.110
 ASSI { 8571}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "75  " and name "HB2 ")
      5.000     5.000     0.000 peak  8571 weight  0.10000E+01 volume  0.64100E+00 ppm1      8.364 ppm2      4.011
 ASSI { 8572}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "77  " and name "HN  ")
      5.000     5.000     0.000 peak  8572 weight  0.10000E+01 volume  0.31500E+00 ppm1      8.353 ppm2      8.164
 ASSI { 8574}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "75  " and name "HA  ")
      5.000     5.000     0.000 peak  8574 weight  0.10000E+01 volume  0.32600E+00 ppm1      8.374 ppm2      4.656
 ASSI { 8575}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "76  " and name "HA1 ")
      3.300     3.300     0.000 peak  8575 weight  0.10000E+01 volume  0.17790E+01 ppm1      8.370 ppm2      4.237
 ASSI { 8576}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "76  " and name "HA2 ")
      3.300     3.300     0.000 peak  8576 weight  0.10000E+01 volume  0.17680E+01 ppm1      8.370 ppm2      3.783
 ASSI { 8581}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "76  " and name "HN  ")
      3.300     3.300     0.000 peak  8581 weight  0.10000E+01 volume  0.21920E+01 ppm1      8.150 ppm2      8.371
 ASSI { 8582}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "77  " and name "HG21")
      5.000     5.000     0.000 peak  8582 weight  0.10000E+01 volume  0.54000E+00 ppm1      8.149 ppm2      1.245
 OR { 8582}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "77  " and name "HG22")
 OR { 8582}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "77  " and name "HG23")
 ASSI { 8583}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HA  ")
      3.300     3.300     0.000 peak  8583 weight  0.10000E+01 volume -0.19170E+01 ppm1     10.179 ppm2      3.776
 ASSI { 8584}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HG22")
      5.000     5.000     0.000 peak  8584 weight  0.10000E+01 volume -0.48900E+00 ppm1     10.183 ppm2      1.229
 OR { 8584}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HG21")
 OR { 8584}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HG23")
 ASSI { 8585}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "78  " and name "HA  ")
      6.000     6.000     0.000 peak  8585 weight  0.10000E+01 volume -0.17300E+00 ppm1     10.188 ppm2      5.867
 ASSI { 8586}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "78  " and name "HB1 ")
      6.000     6.000     0.000 peak  8586 weight  0.10000E+01 volume -0.19600E+00 ppm1     10.170 ppm2      4.458
 ASSI { 8587}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "78  " and name "HB2 ")
      5.000     5.000     0.000 peak  8587 weight  0.10000E+01 volume -0.46700E+00 ppm1     10.173 ppm2      4.287
 ASSI { 8588}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "78  " and name "HG  ")
      6.000     6.000     0.000 peak  8588 weight  0.10000E+01 volume -0.28800E+00 ppm1     10.170 ppm2      6.300
 ASSI { 8596}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "79  " and name "HB1 ")
      5.000     5.000     0.000 peak  8596 weight  0.10000E+01 volume  0.34600E+00 ppm1      8.462 ppm2      2.452
 ASSI { 8597}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "80  " and name "HA  ")
      5.000     5.000     0.000 peak  8597 weight  0.10000E+01 volume  0.76300E+00 ppm1      8.465 ppm2      3.685
 ASSI { 8598}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "80  " and name "HB  ")
      3.300     3.300     0.000 peak  8598 weight  0.10000E+01 volume  0.22550E+01 ppm1      8.467 ppm2      1.916
 ASSI { 8599}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "81  " and name "HN  ")
      5.000     5.000     0.000 peak  8599 weight  0.10000E+01 volume  0.51500E+00 ppm1      8.463 ppm2      7.712
 ASSI { 8603}
     (segid "    " and resid "81  " and name "HN  ")
     (segid "    " and resid "78  " and name "HG  ")
      5.000     5.000     0.000 peak  8603 weight  0.10000E+01 volume  0.42500E+00 ppm1      7.718 ppm2      6.309
 ASSI { 8607}
     (segid "    " and resid "81  " and name "HN  ")
     (segid "    " and resid "80  " and name "HB  ")
      5.000     5.000     0.000 peak  8607 weight  0.10000E+01 volume  0.61200E+00 ppm1      7.712 ppm2      1.911
 ASSI { 8609}
     (segid "    " and resid "81  " and name "HN  ")
     (segid "    " and resid "81  " and name "HA  ")
      5.000     5.000     0.000 peak  8609 weight  0.10000E+01 volume  0.10680E+01 ppm1      7.718 ppm2      3.887
 ASSI { 8610}
     (segid "    " and resid "81  " and name "HN  ")
     (segid "    " and resid "81  " and name "HB1 ")
      5.000     5.000     0.000 peak  8610 weight  0.10000E+01 volume  0.12840E+01 ppm1      7.717 ppm2      3.770
 ASSI { 8611}
     (segid "    " and resid "81  " and name "HN  ")
     (segid "    " and resid "81  " and name "HB2 ")
      5.000     5.000     0.000 peak  8611 weight  0.10000E+01 volume  0.54600E+00 ppm1      7.718 ppm2      3.277
 ASSI { 8612}
     (segid "    " and resid "81  " and name "HN  ")
     (segid "    " and resid "81  " and name "HD2 ")
      6.000     6.000     0.000 peak  8612 weight  0.10000E+01 volume  0.14600E+00 ppm1      7.715 ppm2      6.496
 ASSI { 8613}
     (segid "    " and resid "81  " and name "HN  ")
     (segid "    " and resid "82  " and name "HN  ")
      5.000     5.000     0.000 peak  8613 weight  0.10000E+01 volume  0.12520E+01 ppm1      7.716 ppm2      7.364
 ASSI { 8614}
     (segid "    " and resid "81  " and name "HE2 ")
     (segid "    " and resid "81  " and name "HD2 ")
      6.000     6.000     0.000 peak  8614 weight  0.10000E+01 volume -0.11700E+00 ppm1     11.098 ppm2      6.512
 ASSI { 8615}
     (segid "    " and resid "81  " and name "HE2 ")
     (segid "    " and resid "81  " and name "HE1 ")
      6.000     6.000     0.000 peak  8615 weight  0.10000E+01 volume -0.24400E+00 ppm1     11.102 ppm2      7.457
 ASSI { 8620}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "81  " and name "HB1 ")
      5.000     5.000     0.000 peak  8620 weight  0.10000E+01 volume  0.79400E+00 ppm1      7.362 ppm2      3.781
 ASSI { 8621}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "81  " and name "HB2 ")
      5.000     5.000     0.000 peak  8621 weight  0.10000E+01 volume  0.43400E+00 ppm1      7.365 ppm2      3.268
 ASSI { 8623}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "82  " and name "HA  ")
      5.000     5.000     0.000 peak  8623 weight  0.10000E+01 volume  0.55000E+00 ppm1      7.359 ppm2      4.448
 ASSI { 8624}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "82  " and name "HB1 ")
      3.300     3.300     0.000 peak  8624 weight  0.10000E+01 volume  0.15530E+01 ppm1      7.364 ppm2      2.304
 ASSI { 8625}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "82  " and name "HB2 ")
      5.000     5.000     0.000 peak  8625 weight  0.10000E+01 volume  0.10160E+01 ppm1      7.364 ppm2      1.985
 ASSI { 8626}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "83  " and name "HN  ")
      5.000     5.000     0.000 peak  8626 weight  0.10000E+01 volume  0.89300E+00 ppm1      7.362 ppm2      8.755
 ASSI { 8629}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "82  " and name "HB1 ")
      5.000     5.000     0.000 peak  8629 weight  0.10000E+01 volume  0.75900E+00 ppm1      8.759 ppm2      2.303
 ASSI { 8630}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "82  " and name "HB2 ")
      5.000     5.000     0.000 peak  8630 weight  0.10000E+01 volume  0.69700E+00 ppm1      8.753 ppm2      1.977
 ASSI { 8632}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "83  " and name "HA  ")
      5.000     5.000     0.000 peak  8632 weight  0.10000E+01 volume  0.90900E+00 ppm1      8.751 ppm2      3.790
 ASSI { 8633}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "83  " and name "HB2 ")
      3.300     3.300     0.000 peak  8633 weight  0.10000E+01 volume  0.23870E+01 ppm1      8.754 ppm2      1.313
 OR { 8633}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "83  " and name "HB1 ")
 OR { 8633}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "83  " and name "HB3 ")
 ASSI { 8634}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "84  " and name "HN  ")
      5.000     5.000     0.000 peak  8634 weight  0.10000E+01 volume  0.11600E+01 ppm1      8.752 ppm2      7.847
 ASSI { 8637}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "83  " and name "HA  ")
      5.000     5.000     0.000 peak  8637 weight  0.10000E+01 volume  0.46800E+00 ppm1      7.844 ppm2      3.795
 ASSI { 8638}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "83  " and name "HB3 ")
      3.300     3.300     0.000 peak  8638 weight  0.10000E+01 volume  0.17490E+01 ppm1      7.844 ppm2      1.315
 OR { 8638}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "83  " and name "HB1 ")
 OR { 8638}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "83  " and name "HB2 ")
 ASSI { 8640}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HA  ")
      5.000     5.000     0.000 peak  8640 weight  0.10000E+01 volume  0.10240E+01 ppm1      7.840 ppm2      3.996
 ASSI { 8641}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HB1 ")
      2.700     2.700     0.000 peak  8641 weight  0.10000E+01 volume  0.40690E+01 ppm1      7.844 ppm2      1.442
 OR { 8641}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HB2 ")
 OR { 8641}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HB3 ")
 ASSI { 8642}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "85  " and name "HN  ")
      5.000     5.000     0.000 peak  8642 weight  0.10000E+01 volume  0.88900E+00 ppm1      7.843 ppm2      8.631
 ASSI { 8646}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "82  " and name "HA  ")
      5.000     5.000     0.000 peak  8646 weight  0.10000E+01 volume  0.54700E+00 ppm1      8.640 ppm2      4.445
 ASSI { 8647}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HA  ")
      6.000     6.000     0.000 peak  8647 weight  0.10000E+01 volume  0.26200E+00 ppm1      8.637 ppm2      3.987
 ASSI { 8648}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HB1 ")
      5.000     5.000     0.000 peak  8648 weight  0.10000E+01 volume  0.12570E+01 ppm1      8.640 ppm2      1.440
 OR { 8648}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HB2 ")
 OR { 8648}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HB3 ")
 ASSI { 8650}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "85  " and name "HA  ")
      5.000     5.000     0.000 peak  8650 weight  0.10000E+01 volume  0.67900E+00 ppm1      8.638 ppm2      3.749
 ASSI { 8651}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "85  " and name "HB2 ")
      3.300     3.300     0.000 peak  8651 weight  0.10000E+01 volume  0.23150E+01 ppm1      8.644 ppm2      2.054
 OR { 8651}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "85  " and name "HB1 ")
 ASSI { 8652}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "86  " and name "HN  ")
      5.000     5.000     0.000 peak  8652 weight  0.10000E+01 volume  0.61400E+00 ppm1      8.638 ppm2      7.657
 ASSI { 8654}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HA  ")
      5.000     5.000     0.000 peak  8654 weight  0.10000E+01 volume -0.37800E+00 ppm1      7.661 ppm2      3.765
 ASSI { 8655}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HB1 ")
      5.000     5.000     0.000 peak  8655 weight  0.10000E+01 volume -0.58200E+00 ppm1      7.648 ppm2      2.057
 OR { 8655}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HB2 ")
 ASSI { 8657}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HA  ")
      3.300     3.300     0.000 peak  8657 weight  0.10000E+01 volume -0.16560E+01 ppm1      7.661 ppm2      4.352
 ASSI { 8658}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HG1 ")
      3.300     3.300     0.000 peak  8658 weight  0.10000E+01 volume -0.24200E+01 ppm1      7.648 ppm2      4.458
 ASSI { 8659}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HG21")
      5.000     5.000     0.000 peak  8659 weight  0.10000E+01 volume -0.12210E+01 ppm1      7.661 ppm2      1.336
 OR { 8659}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HG23")
 OR { 8659}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HG22")
 ASSI { 8663}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HA  ")
      5.000     5.000     0.000 peak  8663 weight  0.10000E+01 volume  0.37700E+00 ppm1      7.086 ppm2      4.331
 ASSI { 8664}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HG1 ")
      5.000     5.000     0.000 peak  8664 weight  0.10000E+01 volume  0.45000E+00 ppm1      7.095 ppm2      4.451
 ASSI { 8665}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HG22")
      6.000     6.000     0.000 peak  8665 weight  0.10000E+01 volume  0.16900E+00 ppm1      7.088 ppm2      1.334
 OR { 8665}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HG21")
 OR { 8665}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HG23")
 ASSI { 8666}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HN  ")
      3.300     3.300     0.000 peak  8666 weight  0.10000E+01 volume  0.20200E+01 ppm1      7.092 ppm2      7.656
 ASSI { 8667}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "87  " and name "HA1 ")
      3.300     3.300     0.000 peak  8667 weight  0.10000E+01 volume  0.17050E+01 ppm1      7.092 ppm2      2.756
 ASSI { 8668}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "87  " and name "HA2 ")
      5.000     5.000     0.000 peak  8668 weight  0.10000E+01 volume  0.13240E+01 ppm1      7.091 ppm2      2.584
 ASSI { 8669}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "88  " and name "HN  ")
      3.300     3.300     0.000 peak  8669 weight  0.10000E+01 volume  0.21240E+01 ppm1      7.092 ppm2      7.581
 ASSI { 8673}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "87  " and name "HA1 ")
      5.000     5.000     0.000 peak  8673 weight  0.10000E+01 volume  0.63200E+00 ppm1      7.583 ppm2      2.760
 ASSI { 8675}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "88  " and name "HA  ")
      5.000     5.000     0.000 peak  8675 weight  0.10000E+01 volume  0.42400E+00 ppm1      7.585 ppm2      4.666
 ASSI { 8676}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "88  " and name "HB1 ")
      5.000     5.000     0.000 peak  8676 weight  0.10000E+01 volume  0.92900E+00 ppm1      7.581 ppm2      3.445
 ASSI { 8677}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "88  " and name "HB2 ")
      3.300     3.300     0.000 peak  8677 weight  0.10000E+01 volume  0.18840E+01 ppm1      7.580 ppm2      2.521
 ASSI { 8678}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "88  " and name "HD2 ")
      5.000     5.000     0.000 peak  8678 weight  0.10000E+01 volume  0.74100E+00 ppm1      7.579 ppm2      7.446
 OR { 8678}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "88  " and name "HD1 ")
 ASSI { 8679}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "89  " and name "HN  ")
      2.700     2.700     0.000 peak  8679 weight  0.10000E+01 volume  0.33200E+01 ppm1      7.577 ppm2      7.685
 ASSI { 8682}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "88  " and name "HA  ")
      3.300     3.300     0.000 peak  8682 weight  0.10000E+01 volume  0.18110E+01 ppm1      7.692 ppm2      4.649
 ASSI { 8683}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "88  " and name "HD1 ")
      6.000     6.000     0.000 peak  8683 weight  0.10000E+01 volume  0.18900E+00 ppm1      7.690 ppm2      7.434
 OR { 8683}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "88  " and name "HD2 ")
 ASSI { 8684}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HA  ")
      5.000     5.000     0.000 peak  8684 weight  0.10000E+01 volume  0.37300E+00 ppm1      7.687 ppm2      3.711
 ASSI { 8685}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HB1 ")
      5.000     5.000     0.000 peak  8685 weight  0.10000E+01 volume  0.98200E+00 ppm1      7.689 ppm2      1.827
 ASSI { 8686}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HB2 ")
      5.000     5.000     0.000 peak  8686 weight  0.10000E+01 volume  0.13020E+01 ppm1      7.690 ppm2      1.236
 ASSI { 8687}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HD12")
      6.000     6.000     0.000 peak  8687 weight  0.10000E+01 volume  0.29000E+00 ppm1      7.694 ppm2      0.818
 OR { 8687}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HD11")
 OR { 8687}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HD13")
 ASSI { 8688}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HD23")
      6.000     6.000     0.000 peak  8688 weight  0.10000E+01 volume  0.14500E+00 ppm1      7.690 ppm2      0.609
 OR { 8688}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HD21")
 OR { 8688}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HD22")
 ASSI { 8689}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HG  ")
      5.000     5.000     0.000 peak  8689 weight  0.10000E+01 volume  0.10810E+01 ppm1      7.692 ppm2      1.302
 ASSI { 8692}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "89  " and name "HB1 ")
      6.000     6.000     0.000 peak  8692 weight  0.10000E+01 volume  0.28300E+00 ppm1      8.706 ppm2      1.822
 ASSI { 8693}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "89  " and name "HB2 ")
      5.000     5.000     0.000 peak  8693 weight  0.10000E+01 volume  0.35700E+00 ppm1      8.702 ppm2      1.263
 ASSI { 8694}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "90  " and name "HA  ")
      6.000     6.000     0.000 peak  8694 weight  0.10000E+01 volume  0.26500E+00 ppm1      8.697 ppm2      4.252
 ASSI { 8695}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "90  " and name "HB1 ")
      5.000     5.000     0.000 peak  8695 weight  0.10000E+01 volume  0.50500E+00 ppm1      8.700 ppm2      2.759
 ASSI { 8696}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "90  " and name "HB2 ")
      5.000     5.000     0.000 peak  8696 weight  0.10000E+01 volume  0.36500E+00 ppm1      8.701 ppm2      2.574
 ASSI { 8699}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HA  ")
      3.300     3.300     0.000 peak  8699 weight  0.10000E+01 volume  0.17220E+01 ppm1      7.936 ppm2      3.757
 ASSI { 8700}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HB  ")
      3.300     3.300     0.000 peak  8700 weight  0.10000E+01 volume  0.27410E+01 ppm1      7.928 ppm2      4.189
 ASSI { 8701}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HG1 ")
      5.000     5.000     0.000 peak  8701 weight  0.10000E+01 volume  0.37500E+00 ppm1      7.928 ppm2      5.175
 ASSI { 8702}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "92  " and name "HN  ")
      2.700     2.700     0.000 peak  8702 weight  0.10000E+01 volume  0.39680E+01 ppm1      7.933 ppm2      8.056
 ASSI { 8706}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HB  ")
      5.000     5.000     0.000 peak  8706 weight  0.10000E+01 volume  0.77300E+00 ppm1      8.057 ppm2      4.196
 ASSI { 8708}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "92  " and name "HA  ")
      3.300     3.300     0.000 peak  8708 weight  0.10000E+01 volume  0.18280E+01 ppm1      8.051 ppm2      3.870
 ASSI { 8709}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "92  " and name "HB1 ")
      3.300     3.300     0.000 peak  8709 weight  0.10000E+01 volume  0.15440E+01 ppm1      8.063 ppm2      2.066
 ASSI { 8710}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "92  " and name "HB2 ")
      3.300     3.300     0.000 peak  8710 weight  0.10000E+01 volume  0.21290E+01 ppm1      8.058 ppm2      1.365
 ASSI { 8711}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "93  " and name "HN  ")
      5.000     5.000     0.000 peak  8711 weight  0.10000E+01 volume  0.71200E+00 ppm1      8.064 ppm2      8.577
 ASSI { 8714}
     (segid "    " and resid "93  " and name "HN  ")
     (segid "    " and resid "90  " and name "HA  ")
      6.000     6.000     0.000 peak  8714 weight  0.10000E+01 volume  0.24900E+00 ppm1      8.573 ppm2      4.247
 ASSI { 8715}
     (segid "    " and resid "93  " and name "HN  ")
     (segid "    " and resid "92  " and name "HB1 ")
      5.000     5.000     0.000 peak  8715 weight  0.10000E+01 volume  0.12840E+01 ppm1      8.571 ppm2      2.075
 ASSI { 8716}
     (segid "    " and resid "93  " and name "HN  ")
     (segid "    " and resid "92  " and name "HB2 ")
      5.000     5.000     0.000 peak  8716 weight  0.10000E+01 volume  0.99200E+00 ppm1      8.574 ppm2      1.338
 ASSI { 8718}
     (segid "    " and resid "93  " and name "HN  ")
     (segid "    " and resid "93  " and name "HA  ")
      5.000     5.000     0.000 peak  8718 weight  0.10000E+01 volume  0.10450E+01 ppm1      8.578 ppm2      3.709
 ASSI { 8719}
     (segid "    " and resid "93  " and name "HN  ")
     (segid "    " and resid "93  " and name "HB1 ")
      5.000     5.000     0.000 peak  8719 weight  0.10000E+01 volume  0.86100E+00 ppm1      8.580 ppm2      1.763
 ASSI { 8720}
     (segid "    " and resid "93  " and name "HN  ")
     (segid "    " and resid "93  " and name "HB2 ")
      3.300     3.300     0.000 peak  8720 weight  0.10000E+01 volume  0.15260E+01 ppm1      8.570 ppm2      1.655
 ASSI { 8721}
     (segid "    " and resid "93  " and name "HN  ")
     (segid "    " and resid "93  " and name "HG1 ")
      5.000     5.000     0.000 peak  8721 weight  0.10000E+01 volume  0.13720E+01 ppm1      8.577 ppm2      1.090
 ASSI { 8722}
     (segid "    " and resid "93  " and name "HN  ")
     (segid "    " and resid "93  " and name "HG2 ")
      5.000     5.000     0.000 peak  8722 weight  0.10000E+01 volume  0.72500E+00 ppm1      8.572 ppm2      0.612
 ASSI { 8723}
     (segid "    " and resid "93  " and name "HN  ")
     (segid "    " and resid "94  " and name "HN  ")
      5.000     5.000     0.000 peak  8723 weight  0.10000E+01 volume  0.92900E+00 ppm1      8.577 ppm2      7.371
 ASSI { 8730}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "93  " and name "HB1 ")
      5.000     5.000     0.000 peak  8730 weight  0.10000E+01 volume  0.10080E+01 ppm1      7.381 ppm2      1.757
 ASSI { 8731}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "93  " and name "HB2 ")
      5.000     5.000     0.000 peak  8731 weight  0.10000E+01 volume  0.11220E+01 ppm1      7.383 ppm2      1.663
 ASSI { 8732}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "93  " and name "HG1 ")
      5.000     5.000     0.000 peak  8732 weight  0.10000E+01 volume  0.52700E+00 ppm1      7.387 ppm2      1.087
 ASSI { 8733}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "93  " and name "HG2 ")
      6.000     6.000     0.000 peak  8733 weight  0.10000E+01 volume  0.14500E+00 ppm1      7.388 ppm2      0.613
 ASSI { 8736}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "94  " and name "HA  ")
      5.000     5.000     0.000 peak  8736 weight  0.10000E+01 volume  0.89800E+00 ppm1      7.386 ppm2      4.034
 ASSI { 8737}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "94  " and name "HG12")
      3.300     3.300     0.000 peak  8737 weight  0.10000E+01 volume  0.20570E+01 ppm1      7.381 ppm2      1.183
 OR { 8737}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "94  " and name "HG11")
 OR { 8737}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "94  " and name "HG13")
 ASSI { 8738}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "94  " and name "HG22")
      5.000     5.000     0.000 peak  8738 weight  0.10000E+01 volume  0.96000E+00 ppm1      7.379 ppm2      0.963
 OR { 8738}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "94  " and name "HG23")
 OR { 8738}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "94  " and name "HG21")
 ASSI { 8739}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "95  " and name "HN  ")
      5.000     5.000     0.000 peak  8739 weight  0.10000E+01 volume  0.99600E+00 ppm1      7.386 ppm2      8.081
 ASSI { 8741}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "92  " and name "HA  ")
      5.000     5.000     0.000 peak  8741 weight  0.10000E+01 volume  0.10240E+01 ppm1      8.081 ppm2      3.890
 ASSI { 8742}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "94  " and name "HA  ")
      5.000     5.000     0.000 peak  8742 weight  0.10000E+01 volume  0.69500E+00 ppm1      8.081 ppm2      4.057
 ASSI { 8744}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HA  ")
      5.000     5.000     0.000 peak  8744 weight  0.10000E+01 volume  0.10920E+01 ppm1      8.081 ppm2      3.918
 ASSI { 8745}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HB2 ")
      3.300     3.300     0.000 peak  8745 weight  0.10000E+01 volume  0.21410E+01 ppm1      8.080 ppm2      1.154
 ASSI { 8746}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HG  ")
      3.300     3.300     0.000 peak  8746 weight  0.10000E+01 volume  0.17490E+01 ppm1      8.079 ppm2      1.739
 ASSI { 8747}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "96  " and name "HN  ")
      5.000     5.000     0.000 peak  8747 weight  0.10000E+01 volume  0.11730E+01 ppm1      8.083 ppm2      8.461
 ASSI { 8753}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "95  " and name "HD11")
      5.000     5.000     0.000 peak  8753 weight  0.10000E+01 volume  0.30700E+00 ppm1      8.467 ppm2      0.762
 OR { 8753}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "95  " and name "HD13")
 OR { 8753}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "95  " and name "HD12")
 ASSI { 8754}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "95  " and name "HG  ")
      6.000     6.000     0.000 peak  8754 weight  0.10000E+01 volume  0.22300E+00 ppm1      8.462 ppm2      1.731
 ASSI { 8757}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "96  " and name "HA  ")
      5.000     5.000     0.000 peak  8757 weight  0.10000E+01 volume  0.10480E+01 ppm1      8.463 ppm2      3.753
 ASSI { 8758}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "96  " and name "HB  ")
      3.300     3.300     0.000 peak  8758 weight  0.10000E+01 volume  0.23980E+01 ppm1      8.464 ppm2      2.330
 ASSI { 8759}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "97  " and name "HN  ")
      5.000     5.000     0.000 peak  8759 weight  0.10000E+01 volume  0.66300E+00 ppm1      8.465 ppm2      8.805
 ASSI { 8761}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "94  " and name "HA  ")
      5.000     5.000     0.000 peak  8761 weight  0.10000E+01 volume  0.12010E+01 ppm1      8.807 ppm2      4.042
 ASSI { 8764}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "97  " and name "HA  ")
      5.000     5.000     0.000 peak  8764 weight  0.10000E+01 volume  0.13540E+01 ppm1      8.806 ppm2      4.111
 ASSI { 8765}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "97  " and name "HB1 ")
      3.300     3.300     0.000 peak  8765 weight  0.10000E+01 volume  0.22910E+01 ppm1      8.803 ppm2      2.263
 ASSI { 8766}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "97  " and name "HB2 ")
      5.000     5.000     0.000 peak  8766 weight  0.10000E+01 volume  0.11250E+01 ppm1      8.807 ppm2      2.019
 ASSI { 8767}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "97  " and name "HG1 ")
      3.300     3.300     0.000 peak  8767 weight  0.10000E+01 volume  0.16780E+01 ppm1      8.804 ppm2      2.393
 ASSI { 8768}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "98  " and name "HN  ")
      5.000     5.000     0.000 peak  8768 weight  0.10000E+01 volume  0.89300E+00 ppm1      8.806 ppm2      7.463
 ASSI { 8773}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "97  " and name "HA  ")
      5.000     5.000     0.000 peak  8773 weight  0.10000E+01 volume  0.50800E+00 ppm1      7.464 ppm2      4.117
 ASSI { 8774}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "97  " and name "HB1 ")
      5.000     5.000     0.000 peak  8774 weight  0.10000E+01 volume  0.31400E+00 ppm1      7.456 ppm2      2.270
 ASSI { 8775}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "97  " and name "HB2 ")
      5.000     5.000     0.000 peak  8775 weight  0.10000E+01 volume  0.37900E+00 ppm1      7.460 ppm2      2.012
 ASSI { 8777}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "98  " and name "HA  ")
      5.000     5.000     0.000 peak  8777 weight  0.10000E+01 volume  0.55400E+00 ppm1      7.462 ppm2      4.588
 ASSI { 8778}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "98  " and name "HB1 ")
      5.000     5.000     0.000 peak  8778 weight  0.10000E+01 volume  0.14750E+01 ppm1      7.463 ppm2      3.712
 ASSI { 8779}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "98  " and name "HB2 ")
      5.000     5.000     0.000 peak  8779 weight  0.10000E+01 volume  0.12110E+01 ppm1      7.460 ppm2      2.848
 ASSI { 8780}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "98  " and name "HD2 ")
      6.000     6.000     0.000 peak  8780 weight  0.10000E+01 volume  0.11700E+00 ppm1      7.463 ppm2      7.081
 ASSI { 8781}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "99  " and name "HN  ")
      5.000     5.000     0.000 peak  8781 weight  0.10000E+01 volume  0.12070E+01 ppm1      7.462 ppm2      7.637
 ASSI { 8785}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "98  " and name "HA  ")
      5.000     5.000     0.000 peak  8785 weight  0.10000E+01 volume -0.64200E+00 ppm1      7.634 ppm2      4.592
 ASSI { 8787}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "99  " and name "HA1 ")
      3.300     3.300     0.000 peak  8787 weight  0.10000E+01 volume -0.17650E+01 ppm1      7.634 ppm2      4.352
 ASSI { 8788}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "99  " and name "HA2 ")
      2.700     2.700     0.000 peak  8788 weight  0.10000E+01 volume -0.36030E+01 ppm1      7.625 ppm2      3.850
 ASSI { 8789}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "100 " and name "HN  ")
      5.000     5.000     0.000 peak  8789 weight  0.10000E+01 volume -0.13170E+01 ppm1      7.634 ppm2      8.248
 ASSI { 8793}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "100 " and name "HA  ")
      5.000     5.000     0.000 peak  8793 weight  0.10000E+01 volume  0.79300E+00 ppm1      8.263 ppm2      4.224
 ASSI { 8794}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "100 " and name "HB2 ")
      2.700     2.700     0.000 peak  8794 weight  0.10000E+01 volume  0.31910E+01 ppm1      8.261 ppm2      1.123
 OR { 8794}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "100 " and name "HB3 ")
 OR { 8794}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "100 " and name "HB1 ")
 ASSI { 8795}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "101 " and name "HN  ")
      6.000     6.000     0.000 peak  8795 weight  0.10000E+01 volume  0.11500E+00 ppm1      8.258 ppm2      8.964
 ASSI { 8799}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HA  ")
      3.300     3.300     0.000 peak  8799 weight  0.10000E+01 volume  0.20140E+01 ppm1      8.967 ppm2      4.219
 ASSI { 8800}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HB2 ")
      5.000     5.000     0.000 peak  8800 weight  0.10000E+01 volume  0.60100E+00 ppm1      8.964 ppm2      1.121
 OR { 8800}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HB1 ")
 OR { 8800}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HB3 ")
 ASSI { 8802}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "101 " and name "HA  ")
      5.000     5.000     0.000 peak  8802 weight  0.10000E+01 volume  0.36800E+00 ppm1      8.963 ppm2      4.639
 ASSI { 8803}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB1 ")
      5.000     5.000     0.000 peak  8803 weight  0.10000E+01 volume  0.12430E+01 ppm1      8.964 ppm2      2.780
 ASSI { 8804}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB2 ")
      5.000     5.000     0.000 peak  8804 weight  0.10000E+01 volume  0.12390E+01 ppm1      8.966 ppm2      2.660
 ASSI { 8806}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "101 " and name "HA  ")
      2.700     2.700     0.000 peak  8806 weight  0.10000E+01 volume  0.31380E+01 ppm1      8.505 ppm2      4.650
 ASSI { 8807}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB1 ")
      6.000     6.000     0.000 peak  8807 weight  0.10000E+01 volume  0.13600E+00 ppm1      8.511 ppm2      2.782
 ASSI { 8808}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB2 ")
      5.000     5.000     0.000 peak  8808 weight  0.10000E+01 volume  0.32200E+00 ppm1      8.508 ppm2      2.646
 ASSI { 8811}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "102 " and name "HA  ")
      5.000     5.000     0.000 peak  8811 weight  0.10000E+01 volume  0.54500E+00 ppm1      8.506 ppm2      3.879
 ASSI { 8812}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "102 " and name "HB  ")
      5.000     5.000     0.000 peak  8812 weight  0.10000E+01 volume  0.50500E+00 ppm1      8.502 ppm2      2.198
 ASSI { 8816}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "102 " and name "HA  ")
      5.000     5.000     0.000 peak  8816 weight  0.10000E+01 volume  0.47800E+00 ppm1      8.550 ppm2      3.880
 ASSI { 8817}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "103 " and name "HA  ")
      5.000     5.000     0.000 peak  8817 weight  0.10000E+01 volume  0.65900E+00 ppm1      8.546 ppm2      5.340
 ASSI { 8818}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "103 " and name "HB1 ")
      5.000     5.000     0.000 peak  8818 weight  0.10000E+01 volume  0.76700E+00 ppm1      8.547 ppm2      2.942
 ASSI { 8819}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "103 " and name "HB2 ")
      5.000     5.000     0.000 peak  8819 weight  0.10000E+01 volume  0.12950E+01 ppm1      8.544 ppm2      2.574
 ASSI { 8820}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "103 " and name "HD21")
      6.000     6.000     0.000 peak  8820 weight  0.10000E+01 volume  0.12300E+00 ppm1      8.543 ppm2      7.549
 ASSI { 8821}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "103 " and name "HD22")
      6.000     6.000     0.000 peak  8821 weight  0.10000E+01 volume  0.10300E+00 ppm1      8.547 ppm2      6.753
 ASSI { 8822}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "104 " and name "HN  ")
      3.300     3.300     0.000 peak  8822 weight  0.10000E+01 volume  0.15120E+01 ppm1      8.546 ppm2      6.326
 ASSI { 8830}
     (segid "    " and resid "103 " and name "HD22")
     (segid "    " and resid "103 " and name "HB1 ")
      5.000     5.000     0.000 peak  8830 weight  0.10000E+01 volume  0.30600E+00 ppm1      6.762 ppm2      2.960
 ASSI { 8831}
     (segid "    " and resid "103 " and name "HD22")
     (segid "    " and resid "103 " and name "HB2 ")
      5.000     5.000     0.000 peak  8831 weight  0.10000E+01 volume  0.56100E+00 ppm1      6.757 ppm2      2.587
 ASSI { 8836}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "103 " and name "HA  ")
      5.000     5.000     0.000 peak  8836 weight  0.10000E+01 volume  0.63700E+00 ppm1      6.335 ppm2      5.341
 ASSI { 8837}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "103 " and name "HB2 ")
      6.000     6.000     0.000 peak  8837 weight  0.10000E+01 volume  0.12900E+00 ppm1      6.326 ppm2      2.581
 ASSI { 8839}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "104 " and name "HA  ")
      5.000     5.000     0.000 peak  8839 weight  0.10000E+01 volume  0.82800E+00 ppm1      6.326 ppm2      4.154
 ASSI { 8840}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "104 " and name "HB2 ")
      2.700     2.700     0.000 peak  8840 weight  0.10000E+01 volume  0.32280E+01 ppm1      6.327 ppm2      1.330
 OR { 8840}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "104 " and name "HB1 ")
 OR { 8840}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "104 " and name "HB3 ")
 ASSI { 8842}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "104 " and name "HA  ")
      2.700     2.700     0.000 peak  8842 weight  0.10000E+01 volume  0.46760E+01 ppm1      8.239 ppm2      4.145
 ASSI { 8843}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "104 " and name "HB3 ")
      3.300     3.300     0.000 peak  8843 weight  0.10000E+01 volume  0.25310E+01 ppm1      8.243 ppm2      1.327
 OR { 8843}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "104 " and name "HB2 ")
 OR { 8843}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "104 " and name "HB1 ")
 ASSI { 8844}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "104 " and name "HN  ")
      6.000     6.000     0.000 peak  8844 weight  0.10000E+01 volume  0.15000E+00 ppm1      8.232 ppm2      6.328
 ASSI { 8845}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "105 " and name "HA  ")
      5.000     5.000     0.000 peak  8845 weight  0.10000E+01 volume  0.55100E+00 ppm1      8.237 ppm2      4.937
 ASSI { 8846}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "105 " and name "HB1 ")
      5.000     5.000     0.000 peak  8846 weight  0.10000E+01 volume  0.13790E+01 ppm1      8.243 ppm2      1.821
 ASSI { 8847}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD12")
      5.000     5.000     0.000 peak  8847 weight  0.10000E+01 volume  0.44500E+00 ppm1      8.235 ppm2      0.833
 OR { 8847}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD11")
 OR { 8847}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD13")
 ASSI { 8848}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD21")
      5.000     5.000     0.000 peak  8848 weight  0.10000E+01 volume  0.42200E+00 ppm1      8.238 ppm2      0.385
 OR { 8848}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD23")
 OR { 8848}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD22")
 ASSI { 8849}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "105 " and name "HG  ")
      3.300     3.300     0.000 peak  8849 weight  0.10000E+01 volume  0.17290E+01 ppm1      8.243 ppm2      1.660
 ASSI { 8851}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "81  " and name "HE2 ")
      5.000     5.000     0.000 peak  8851 weight  0.10000E+01 volume  0.44100E+00 ppm1      7.642 ppm2     11.101
 ASSI { 8852}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "105 " and name "HB1 ")
      5.000     5.000     0.000 peak  8852 weight  0.10000E+01 volume  0.36600E+00 ppm1      7.648 ppm2      1.817
 ASSI { 8853}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "105 " and name "HB2 ")
      5.000     5.000     0.000 peak  8853 weight  0.10000E+01 volume  0.10630E+01 ppm1      7.640 ppm2      1.282
 ASSI { 8854}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD21")
      5.000     5.000     0.000 peak  8854 weight  0.10000E+01 volume  0.48200E+00 ppm1      7.647 ppm2      0.377
 OR { 8854}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD23")
 OR { 8854}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD22")
 ASSI { 8855}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "105 " and name "HG  ")
      6.000     6.000     0.000 peak  8855 weight  0.10000E+01 volume  0.24700E+00 ppm1      7.649 ppm2      1.682
 ASSI { 8856}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "106 " and name "HA  ")
      2.700     2.700     0.000 peak  8856 weight  0.10000E+01 volume  0.32990E+01 ppm1      7.646 ppm2      4.935
 ASSI { 8857}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "106 " and name "HB1 ")
      6.000     6.000     0.000 peak  8857 weight  0.10000E+01 volume  0.26300E+00 ppm1      7.639 ppm2      2.888
 ASSI { 8858}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "106 " and name "HB2 ")
      5.000     5.000     0.000 peak  8858 weight  0.10000E+01 volume  0.11230E+01 ppm1      7.644 ppm2      1.363
 ASSI { 8859}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "110 " and name "HN  ")
      5.000     5.000     0.000 peak  8859 weight  0.10000E+01 volume  0.80700E+00 ppm1      7.645 ppm2      8.005
 ASSI { 8862}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "106 " and name "HA  ")
      5.000     5.000     0.000 peak  8862 weight  0.10000E+01 volume  0.79000E+00 ppm1      8.185 ppm2      4.907
 ASSI { 8863}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "106 " and name "HB1 ")
      5.000     5.000     0.000 peak  8863 weight  0.10000E+01 volume  0.13270E+01 ppm1      8.189 ppm2      2.889
 ASSI { 8864}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "106 " and name "HB2 ")
      5.000     5.000     0.000 peak  8864 weight  0.10000E+01 volume  0.86600E+00 ppm1      8.192 ppm2      1.361
 ASSI { 8866}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "107 " and name "HA  ")
      5.000     5.000     0.000 peak  8866 weight  0.10000E+01 volume  0.10550E+01 ppm1      8.190 ppm2      4.289
 ASSI { 8867}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "107 " and name "HB2 ")
      5.000     5.000     0.000 peak  8867 weight  0.10000E+01 volume  0.14110E+01 ppm1      8.184 ppm2      4.042
 OR { 8867}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "107 " and name "HB1 ")
 ASSI { 8868}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "108 " and name "HN  ")
      5.000     5.000     0.000 peak  8868 weight  0.10000E+01 volume  0.73700E+00 ppm1      8.181 ppm2      8.478
 ASSI { 8875}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "108 " and name "HA  ")
      5.000     5.000     0.000 peak  8875 weight  0.10000E+01 volume  0.87700E+00 ppm1      8.480 ppm2      4.614
 ASSI { 8876}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "108 " and name "HG23")
      5.000     5.000     0.000 peak  8876 weight  0.10000E+01 volume  0.11050E+01 ppm1      8.477 ppm2      1.151
 OR { 8876}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "108 " and name "HG21")
 OR { 8876}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "108 " and name "HG22")
 ASSI { 8877}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "110 " and name "HN  ")
      5.000     5.000     0.000 peak  8877 weight  0.10000E+01 volume  0.34800E+00 ppm1      8.478 ppm2      7.998
 ASSI { 8884}
     (segid "    " and resid "109 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD21")
      6.000     6.000     0.000 peak  8884 weight  0.10000E+01 volume  0.95000E-01 ppm1      8.503 ppm2      0.388
 OR { 8884}
     (segid "    " and resid "109 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD23")
 OR { 8884}
     (segid "    " and resid "109 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD22")
 ASSI { 8885}
     (segid "    " and resid "109 " and name "HN  ")
     (segid "    " and resid "108 " and name "HA  ")
      5.000     5.000     0.000 peak  8885 weight  0.10000E+01 volume  0.47500E+00 ppm1      8.511 ppm2      4.608
 ASSI { 8886}
     (segid "    " and resid "109 " and name "HN  ")
     (segid "    " and resid "108 " and name "HG21")
      6.000     6.000     0.000 peak  8886 weight  0.10000E+01 volume  0.16700E+00 ppm1      8.514 ppm2      1.157
 OR { 8886}
     (segid "    " and resid "109 " and name "HN  ")
     (segid "    " and resid "108 " and name "HG23")
 OR { 8886}
     (segid "    " and resid "109 " and name "HN  ")
     (segid "    " and resid "108 " and name "HG22")
 ASSI { 8887}
     (segid "    " and resid "109 " and name "HN  ")
     (segid "    " and resid "109 " and name "HA1 ")
      3.300     3.300     0.000 peak  8887 weight  0.10000E+01 volume  0.15040E+01 ppm1      8.511 ppm2      4.309
 ASSI { 8888}
     (segid "    " and resid "109 " and name "HN  ")
     (segid "    " and resid "109 " and name "HA2 ")
      3.300     3.300     0.000 peak  8888 weight  0.10000E+01 volume  0.15670E+01 ppm1      8.506 ppm2      3.810
 ASSI { 8889}
     (segid "    " and resid "109 " and name "HN  ")
     (segid "    " and resid "110 " and name "HN  ")
      5.000     5.000     0.000 peak  8889 weight  0.10000E+01 volume  0.98500E+00 ppm1      8.511 ppm2      8.004
 ASSI { 8896}
     (segid "    " and resid "110 " and name "HN  ")
     (segid "    " and resid "109 " and name "HA1 ")
      6.000     6.000     0.000 peak  8896 weight  0.10000E+01 volume  0.26900E+00 ppm1      8.006 ppm2      4.322
 ASSI { 8897}
     (segid "    " and resid "110 " and name "HN  ")
     (segid "    " and resid "111 " and name "HN  ")
      6.000     6.000     0.000 peak  8897 weight  0.10000E+01 volume  0.13700E+00 ppm1      8.010 ppm2      9.455
 ASSI { 8899}
     (segid "    " and resid "111 " and name "HN  ")
     (segid "    " and resid "110 " and name "HB2 ")
      5.000     5.000     0.000 peak  8899 weight  0.10000E+01 volume  0.32200E+00 ppm1      9.447 ppm2      3.712
 ASSI { 8900}
     (segid "    " and resid "111 " and name "HN  ")
     (segid "    " and resid "111 " and name "HA  ")
      6.000     6.000     0.000 peak  8900 weight  0.10000E+01 volume  0.25200E+00 ppm1      9.446 ppm2      5.268
 ASSI { 8901}
     (segid "    " and resid "111 " and name "HN  ")
     (segid "    " and resid "111 " and name "HB1 ")
      5.000     5.000     0.000 peak  8901 weight  0.10000E+01 volume  0.37100E+00 ppm1      9.444 ppm2      2.431
 ASSI { 8902}
     (segid "    " and resid "111 " and name "HN  ")
     (segid "    " and resid "111 " and name "HB2 ")
      5.000     5.000     0.000 peak  8902 weight  0.10000E+01 volume  0.79600E+00 ppm1      9.450 ppm2      2.014
 ASSI { 8903}
     (segid "    " and resid "111 " and name "HN  ")
     (segid "    " and resid "111 " and name "HD11")
      6.000     6.000     0.000 peak  8903 weight  0.10000E+01 volume  0.19900E+00 ppm1      9.449 ppm2      1.183
 OR { 8903}
     (segid "    " and resid "111 " and name "HN  ")
     (segid "    " and resid "111 " and name "HD12")
 OR { 8903}
     (segid "    " and resid "111 " and name "HN  ")
     (segid "    " and resid "111 " and name "HD13")
 ASSI { 8904}
     (segid "    " and resid "111 " and name "HN  ")
     (segid "    " and resid "111 " and name "HD22")
      6.000     6.000     0.000 peak  8904 weight  0.10000E+01 volume  0.26100E+00 ppm1      9.448 ppm2      0.988
 OR { 8904}
     (segid "    " and resid "111 " and name "HN  ")
     (segid "    " and resid "111 " and name "HD23")
 OR { 8904}
     (segid "    " and resid "111 " and name "HN  ")
     (segid "    " and resid "111 " and name "HD21")
 ASSI { 8905}
     (segid "    " and resid "111 " and name "HN  ")
     (segid "    " and resid "111 " and name "HG  ")
      5.000     5.000     0.000 peak  8905 weight  0.10000E+01 volume  0.83100E+00 ppm1      9.449 ppm2      1.950
 ASSI { 8914}
     (segid "    " and resid "113 " and name "HN  ")
     (segid "    " and resid "112 " and name "HB1 ")
      5.000     5.000     0.000 peak  8914 weight  0.10000E+01 volume  0.10510E+01 ppm1      8.274 ppm2      1.995
 ASSI { 8915}
     (segid "    " and resid "113 " and name "HN  ")
     (segid "    " and resid "113 " and name "HA  ")
      5.000     5.000     0.000 peak  8915 weight  0.10000E+01 volume  0.47200E+00 ppm1      8.274 ppm2      3.837
 ASSI { 8916}
     (segid "    " and resid "113 " and name "HN  ")
     (segid "    " and resid "113 " and name "HB  ")
      5.000     5.000     0.000 peak  8916 weight  0.10000E+01 volume  0.10540E+01 ppm1      8.279 ppm2      1.727
 ASSI { 8917}
     (segid "    " and resid "113 " and name "HN  ")
     (segid "    " and resid "113 " and name "HG11")
      6.000     6.000     0.000 peak  8917 weight  0.10000E+01 volume  0.26900E+00 ppm1      8.276 ppm2      1.448
 ASSI { 8918}
     (segid "    " and resid "113 " and name "HN  ")
     (segid "    " and resid "113 " and name "HG12")
      6.000     6.000     0.000 peak  8918 weight  0.10000E+01 volume  0.20300E+00 ppm1      8.286 ppm2      1.333
 ASSI { 8919}
     (segid "    " and resid "113 " and name "HN  ")
     (segid "    " and resid "113 " and name "HG21")
      3.300     3.300     0.000 peak  8919 weight  0.10000E+01 volume  0.19050E+01 ppm1      8.277 ppm2      0.732
 OR { 8919}
     (segid "    " and resid "113 " and name "HN  ")
     (segid "    " and resid "113 " and name "HG22")
 OR { 8919}
     (segid "    " and resid "113 " and name "HN  ")
     (segid "    " and resid "113 " and name "HG23")
 ASSI { 8932}
     (segid "    " and resid "114 " and name "HN  ")
     (segid "    " and resid "113 " and name "HA  ")
      5.000     5.000     0.000 peak  8932 weight  0.10000E+01 volume  0.34400E+00 ppm1      7.664 ppm2      3.835
 ASSI { 8933}
     (segid "    " and resid "114 " and name "HN  ")
     (segid "    " and resid "113 " and name "HG23")
      5.000     5.000     0.000 peak  8933 weight  0.10000E+01 volume  0.12240E+01 ppm1      7.666 ppm2      0.743
 OR { 8933}
     (segid "    " and resid "114 " and name "HN  ")
     (segid "    " and resid "113 " and name "HG22")
 OR { 8933}
     (segid "    " and resid "114 " and name "HN  ")
     (segid "    " and resid "113 " and name "HG21")
 ASSI { 8934}
     (segid "    " and resid "114 " and name "HN  ")
     (segid "    " and resid "113 " and name "HN  ")
      5.000     5.000     0.000 peak  8934 weight  0.10000E+01 volume  0.50100E+00 ppm1      7.669 ppm2      8.270
 ASSI { 8935}
     (segid "    " and resid "114 " and name "HN  ")
     (segid "    " and resid "114 " and name "HA  ")
      5.000     5.000     0.000 peak  8935 weight  0.10000E+01 volume  0.83000E+00 ppm1      7.665 ppm2      3.973
 ASSI { 8936}
     (segid "    " and resid "114 " and name "HN  ")
     (segid "    " and resid "114 " and name "HB1 ")
      5.000     5.000     0.000 peak  8936 weight  0.10000E+01 volume  0.10640E+01 ppm1      7.670 ppm2      3.660
 ASSI { 8937}
     (segid "    " and resid "114 " and name "HN  ")
     (segid "    " and resid "114 " and name "HB2 ")
      5.000     5.000     0.000 peak  8937 weight  0.10000E+01 volume  0.59900E+00 ppm1      7.666 ppm2      3.506
 ASSI { 8938}
     (segid "    " and resid "114 " and name "HN  ")
     (segid "    " and resid "115 " and name "HN  ")
      5.000     5.000     0.000 peak  8938 weight  0.10000E+01 volume  0.89200E+00 ppm1      7.669 ppm2      7.298
 ASSI { 8940}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "114 " and name "HA  ")
      5.000     5.000     0.000 peak  8940 weight  0.10000E+01 volume  0.37200E+00 ppm1      7.309 ppm2      3.958
 ASSI { 8941}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "114 " and name "HB1 ")
      5.000     5.000     0.000 peak  8941 weight  0.10000E+01 volume  0.47500E+00 ppm1      7.306 ppm2      3.651
 ASSI { 8942}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "114 " and name "HB2 ")
      6.000     6.000     0.000 peak  8942 weight  0.10000E+01 volume  0.23700E+00 ppm1      7.314 ppm2      3.501
 ASSI { 8944}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "115 " and name "HA  ")
      5.000     5.000     0.000 peak  8944 weight  0.10000E+01 volume  0.69100E+00 ppm1      7.309 ppm2      4.088
 ASSI { 8945}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "115 " and name "HB1 ")
      5.000     5.000     0.000 peak  8945 weight  0.10000E+01 volume  0.74700E+00 ppm1      7.305 ppm2      2.210
 ASSI { 8946}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "115 " and name "HB2 ")
      5.000     5.000     0.000 peak  8946 weight  0.10000E+01 volume  0.51000E+00 ppm1      7.311 ppm2      1.398
 ASSI { 8947}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "115 " and name "HD13")
      5.000     5.000     0.000 peak  8947 weight  0.10000E+01 volume  0.52400E+00 ppm1      7.311 ppm2      1.223
 OR { 8947}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "115 " and name "HD12")
 OR { 8947}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "115 " and name "HD11")
 ASSI { 8948}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "115 " and name "HD23")
      5.000     5.000     0.000 peak  8948 weight  0.10000E+01 volume  0.46200E+00 ppm1      7.309 ppm2      0.956
 OR { 8948}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "115 " and name "HD22")
 OR { 8948}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "115 " and name "HD21")
 ASSI { 8949}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "115 " and name "HG  ")
      3.300     3.300     0.000 peak  8949 weight  0.10000E+01 volume  0.17600E+01 ppm1      7.300 ppm2      2.032
 ASSI { 8950}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "116 " and name "HN  ")
      5.000     5.000     0.000 peak  8950 weight  0.10000E+01 volume  0.72300E+00 ppm1      7.298 ppm2      7.904
 ASSI { 8954}
     (segid "    " and resid "116 " and name "HN  ")
     (segid "    " and resid "116 " and name "HB2 ")
      2.700     2.700     0.000 peak  8954 weight  0.10000E+01 volume  0.32610E+01 ppm1      7.892 ppm2      1.488
 OR { 8954}
     (segid "    " and resid "116 " and name "HN  ")
     (segid "    " and resid "116 " and name "HB3 ")
 OR { 8954}
     (segid "    " and resid "116 " and name "HN  ")
     (segid "    " and resid "116 " and name "HB1 ")
 ASSI { 8961}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "116 " and name "HB1 ")
      5.000     5.000     0.000 peak  8961 weight  0.10000E+01 volume  0.10130E+01 ppm1      7.943 ppm2      1.487
 OR { 8961}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "116 " and name "HB2 ")
 OR { 8961}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "116 " and name "HB3 ")
 ASSI { 8962}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "117 " and name "HA  ")
      5.000     5.000     0.000 peak  8962 weight  0.10000E+01 volume  0.67500E+00 ppm1      7.949 ppm2      3.522
 ASSI { 8963}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "117 " and name "HB  ")
      2.700     2.700     0.000 peak  8963 weight  0.10000E+01 volume  0.31000E+01 ppm1      7.943 ppm2      2.058
 ASSI { 8964}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "117 " and name "HD11")
      5.000     5.000     0.000 peak  8964 weight  0.10000E+01 volume  0.14890E+01 ppm1      7.946 ppm2      0.884
 OR { 8964}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "117 " and name "HD13")
 OR { 8964}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "117 " and name "HD12")
 ASSI { 8965}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "117 " and name "HG23")
      5.000     5.000     0.000 peak  8965 weight  0.10000E+01 volume  0.14430E+01 ppm1      7.942 ppm2      0.757
 OR { 8965}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "117 " and name "HG21")
 OR { 8965}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "117 " and name "HG22")
 ASSI { 8966}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "118 " and name "HN  ")
      5.000     5.000     0.000 peak  8966 weight  0.10000E+01 volume  0.12490E+01 ppm1      7.943 ppm2      8.113
 ASSI { 8968}
     (segid "    " and resid "118 " and name "HN  ")
     (segid "    " and resid "115 " and name "HA  ")
      3.300     3.300     0.000 peak  8968 weight  0.10000E+01 volume  0.18240E+01 ppm1      8.119 ppm2      4.044
 ASSI { 8969}
     (segid "    " and resid "118 " and name "HN  ")
     (segid "    " and resid "117 " and name "HA  ")
      5.000     5.000     0.000 peak  8969 weight  0.10000E+01 volume  0.35200E+00 ppm1      8.113 ppm2      3.519
 ASSI { 8970}
     (segid "    " and resid "118 " and name "HN  ")
     (segid "    " and resid "117 " and name "HG23")
      3.300     3.300     0.000 peak  8970 weight  0.10000E+01 volume  0.21670E+01 ppm1      8.125 ppm2      0.778
 OR { 8970}
     (segid "    " and resid "118 " and name "HN  ")
     (segid "    " and resid "117 " and name "HG21")
 OR { 8970}
     (segid "    " and resid "118 " and name "HN  ")
     (segid "    " and resid "117 " and name "HG22")
 ASSI { 8972}
     (segid "    " and resid "118 " and name "HN  ")
     (segid "    " and resid "118 " and name "HA  ")
      5.000     5.000     0.000 peak  8972 weight  0.10000E+01 volume  0.13370E+01 ppm1      8.120 ppm2      3.678
 ASSI { 8973}
     (segid "    " and resid "118 " and name "HN  ")
     (segid "    " and resid "119 " and name "HN  ")
      5.000     5.000     0.000 peak  8973 weight  0.10000E+01 volume  0.95500E+00 ppm1      8.116 ppm2      7.323
 ASSI { 8975}
     (segid "    " and resid "119 " and name "HN  ")
     (segid "    " and resid "116 " and name "HA  ")
      6.000     6.000     0.000 peak  8975 weight  0.10000E+01 volume  0.22100E+00 ppm1      7.324 ppm2      4.138
 ASSI { 8976}
     (segid "    " and resid "119 " and name "HN  ")
     (segid "    " and resid "118 " and name "HA  ")
      6.000     6.000     0.000 peak  8976 weight  0.10000E+01 volume  0.29100E+00 ppm1      7.318 ppm2      3.677
 ASSI { 8977}
     (segid "    " and resid "119 " and name "HN  ")
     (segid "    " and resid "118 " and name "HG1 ")
      6.000     6.000     0.000 peak  8977 weight  0.10000E+01 volume  0.27600E+00 ppm1      7.329 ppm2      1.921
 ASSI { 8979}
     (segid "    " and resid "119 " and name "HN  ")
     (segid "    " and resid "119 " and name "HA  ")
      5.000     5.000     0.000 peak  8979 weight  0.10000E+01 volume  0.46800E+00 ppm1      7.324 ppm2      4.261
 ASSI { 8980}
     (segid "    " and resid "119 " and name "HN  ")
     (segid "    " and resid "119 " and name "HB1 ")
      3.300     3.300     0.000 peak  8980 weight  0.10000E+01 volume  0.18560E+01 ppm1      7.328 ppm2      2.053
 ASSI { 8981}
     (segid "    " and resid "119 " and name "HN  ")
     (segid "    " and resid "119 " and name "HB2 ")
      5.000     5.000     0.000 peak  8981 weight  0.10000E+01 volume  0.10300E+01 ppm1      7.327 ppm2      1.546
 ASSI { 8982}
     (segid "    " and resid "119 " and name "HN  ")
     (segid "    " and resid "119 " and name "HG1 ")
      5.000     5.000     0.000 peak  8982 weight  0.10000E+01 volume  0.68600E+00 ppm1      7.330 ppm2      2.961
 ASSI { 8983}
     (segid "    " and resid "119 " and name "HN  ")
     (segid "    " and resid "119 " and name "HG2 ")
      5.000     5.000     0.000 peak  8983 weight  0.10000E+01 volume  0.92500E+00 ppm1      7.330 ppm2      2.404
 ASSI { 8984}
     (segid "    " and resid "119 " and name "HN  ")
     (segid "    " and resid "120 " and name "HN  ")
      5.000     5.000     0.000 peak  8984 weight  0.10000E+01 volume  0.92800E+00 ppm1      7.326 ppm2      7.477
 ASSI { 8991}
     (segid "    " and resid "120 " and name "HN  ")
     (segid "    " and resid "119 " and name "HA  ")
      6.000     6.000     0.000 peak  8991 weight  0.10000E+01 volume -0.61000E-01 ppm1      7.480 ppm2      4.259
 ASSI { 8992}
     (segid "    " and resid "120 " and name "HN  ")
     (segid "    " and resid "119 " and name "HB1 ")
      5.000     5.000     0.000 peak  8992 weight  0.10000E+01 volume -0.34900E+00 ppm1      7.478 ppm2      2.057
 ASSI { 8993}
     (segid "    " and resid "120 " and name "HN  ")
     (segid "    " and resid "119 " and name "HB2 ")
      6.000     6.000     0.000 peak  8993 weight  0.10000E+01 volume -0.12400E+00 ppm1      7.487 ppm2      1.549
 ASSI { 8995}
     (segid "    " and resid "120 " and name "HN  ")
     (segid "    " and resid "120 " and name "HA1 ")
      5.000     5.000     0.000 peak  8995 weight  0.10000E+01 volume -0.14980E+01 ppm1      7.474 ppm2      4.031
 ASSI { 8996}
     (segid "    " and resid "120 " and name "HN  ")
     (segid "    " and resid "120 " and name "HA2 ")
      3.300     3.300     0.000 peak  8996 weight  0.10000E+01 volume -0.24610E+01 ppm1      7.477 ppm2      3.538
 ASSI { 8997}
     (segid "    " and resid "120 " and name "HN  ")
     (segid "    " and resid "121 " and name "HN  ")
      5.000     5.000     0.000 peak  8997 weight  0.10000E+01 volume -0.13550E+01 ppm1      7.477 ppm2      7.836
 ASSI { 9002}
     (segid "    " and resid "121 " and name "HN  ")
     (segid "    " and resid "120 " and name "HA1 ")
      5.000     5.000     0.000 peak  9002 weight  0.10000E+01 volume  0.78400E+00 ppm1      7.844 ppm2      4.030
 ASSI { 9003}
     (segid "    " and resid "121 " and name "HN  ")
     (segid "    " and resid "120 " and name "HA2 ")
      5.000     5.000     0.000 peak  9003 weight  0.10000E+01 volume  0.83100E+00 ppm1      7.837 ppm2      3.542
 ASSI { 9005}
     (segid "    " and resid "121 " and name "HN  ")
     (segid "    " and resid "121 " and name "HA  ")
      5.000     5.000     0.000 peak  9005 weight  0.10000E+01 volume  0.72300E+00 ppm1      7.831 ppm2      5.232
 ASSI { 9006}
     (segid "    " and resid "121 " and name "HN  ")
     (segid "    " and resid "121 " and name "HB1 ")
      5.000     5.000     0.000 peak  9006 weight  0.10000E+01 volume  0.85900E+00 ppm1      7.833 ppm2      3.151
 ASSI { 9007}
     (segid "    " and resid "121 " and name "HN  ")
     (segid "    " and resid "121 " and name "HB2 ")
      3.300     3.300     0.000 peak  9007 weight  0.10000E+01 volume  0.15120E+01 ppm1      7.834 ppm2      3.018
 ASSI { 9008}
     (segid "    " and resid "121 " and name "HN  ")
     (segid "    " and resid "121 " and name "HD2 ")
      5.000     5.000     0.000 peak  9008 weight  0.10000E+01 volume  0.76200E+00 ppm1      7.837 ppm2      7.282
 ASSI { 9016}
     (segid "    " and resid "124 " and name "HN  ")
     (segid "    " and resid "123 " and name "HB2 ")
      6.000     6.000     0.000 peak  9016 weight  0.10000E+01 volume  0.28000E+00 ppm1      7.132 ppm2      3.993
 OR { 9016}
     (segid "    " and resid "124 " and name "HN  ")
     (segid "    " and resid "123 " and name "HB1 ")
 ASSI { 9017}
     (segid "    " and resid "124 " and name "HN  ")
     (segid "    " and resid "124 " and name "HA  ")
      5.000     5.000     0.000 peak  9017 weight  0.10000E+01 volume  0.51200E+00 ppm1      7.135 ppm2      3.739
 ASSI { 9018}
     (segid "    " and resid "124 " and name "HN  ")
     (segid "    " and resid "124 " and name "HB  ")
      5.000     5.000     0.000 peak  9018 weight  0.10000E+01 volume  0.93600E+00 ppm1      7.130 ppm2      2.383
 ASSI { 9019}
     (segid "    " and resid "124 " and name "HN  ")
     (segid "    " and resid "124 " and name "HG21")
      3.300     3.300     0.000 peak  9019 weight  0.10000E+01 volume  0.20280E+01 ppm1      7.132 ppm2      0.936
 OR { 9019}
     (segid "    " and resid "124 " and name "HN  ")
     (segid "    " and resid "124 " and name "HG23")
 OR { 9019}
     (segid "    " and resid "124 " and name "HN  ")
     (segid "    " and resid "124 " and name "HG22")
 ASSI { 9021}
     (segid "    " and resid "125 " and name "HN  ")
     (segid "    " and resid "124 " and name "HB  ")
      5.000     5.000     0.000 peak  9021 weight  0.10000E+01 volume  0.97700E+00 ppm1      8.132 ppm2      2.381
 ASSI { 9024}
     (segid "    " and resid "125 " and name "HN  ")
     (segid "    " and resid "125 " and name "HA  ")
      5.000     5.000     0.000 peak  9024 weight  0.10000E+01 volume  0.83100E+00 ppm1      8.139 ppm2      3.372
 ASSI { 9025}
     (segid "    " and resid "125 " and name "HN  ")
     (segid "    " and resid "126 " and name "HN  ")
      3.300     3.300     0.000 peak  9025 weight  0.10000E+01 volume  0.18150E+01 ppm1      8.127 ppm2      8.493
 ASSI { 9033}
     (segid "    " and resid "126 " and name "HN  ")
     (segid "    " and resid "125 " and name "HB  ")
      5.000     5.000     0.000 peak  9033 weight  0.10000E+01 volume  0.13410E+01 ppm1      8.496 ppm2      2.227
 ASSI { 9035}
     (segid "    " and resid "126 " and name "HN  ")
     (segid "    " and resid "126 " and name "HA  ")
      2.700     2.700     0.000 peak  9035 weight  0.10000E+01 volume  0.37150E+01 ppm1      8.497 ppm2      4.009
 ASSI { 9036}
     (segid "    " and resid "126 " and name "HN  ")
     (segid "    " and resid "127 " and name "HN  ")
      5.000     5.000     0.000 peak  9036 weight  0.10000E+01 volume  0.81000E+00 ppm1      8.499 ppm2      7.419
 ASSI { 9040}
     (segid "    " and resid "127 " and name "HN  ")
     (segid "    " and resid "124 " and name "HA  ")
      5.000     5.000     0.000 peak  9040 weight  0.10000E+01 volume  0.84500E+00 ppm1      7.423 ppm2      3.747
 ASSI { 9041}
     (segid "    " and resid "127 " and name "HN  ")
     (segid "    " and resid "126 " and name "HA  ")
      3.300     3.300     0.000 peak  9041 weight  0.10000E+01 volume  0.15120E+01 ppm1      7.425 ppm2      4.008
 ASSI { 9042}
     (segid "    " and resid "127 " and name "HN  ")
     (segid "    " and resid "127 " and name "HA  ")
      5.000     5.000     0.000 peak  9042 weight  0.10000E+01 volume  0.11220E+01 ppm1      7.424 ppm2      4.314
 ASSI { 9043}
     (segid "    " and resid "127 " and name "HN  ")
     (segid "    " and resid "127 " and name "HB1 ")
      3.300     3.300     0.000 peak  9043 weight  0.10000E+01 volume  0.15460E+01 ppm1      7.423 ppm2      3.419
 ASSI { 9044}
     (segid "    " and resid "127 " and name "HN  ")
     (segid "    " and resid "127 " and name "HB2 ")
      3.300     3.300     0.000 peak  9044 weight  0.10000E+01 volume  0.18030E+01 ppm1      7.425 ppm2      2.935
 ASSI { 9045}
     (segid "    " and resid "127 " and name "HN  ")
     (segid "    " and resid "127 " and name "HD1 ")
      5.000     5.000     0.000 peak  9045 weight  0.10000E+01 volume  0.33800E+00 ppm1      7.423 ppm2      7.126
 OR { 9045}
     (segid "    " and resid "127 " and name "HN  ")
     (segid "    " and resid "127 " and name "HD2 ")
 ASSI { 9046}
     (segid "    " and resid "127 " and name "HN  ")
     (segid "    " and resid "128 " and name "HN  ")
      5.000     5.000     0.000 peak  9046 weight  0.10000E+01 volume  0.11000E+01 ppm1      7.426 ppm2      8.228
 ASSI { 9047}
     (segid "    " and resid "127 " and name "HN  ")
     (segid "    " and resid "129 " and name "HN  ")
      5.000     5.000     0.000 peak  9047 weight  0.10000E+01 volume  0.10560E+01 ppm1      7.423 ppm2      8.292
 ASSI { 9056}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "127 " and name "HA  ")
      6.000     6.000     0.000 peak  9056 weight  0.10000E+01 volume  0.18000E+00 ppm1      8.232 ppm2      4.301
 ASSI { 9057}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "127 " and name "HB1 ")
      5.000     5.000     0.000 peak  9057 weight  0.10000E+01 volume  0.68200E+00 ppm1      8.230 ppm2      3.397
 ASSI { 9058}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "127 " and name "HB2 ")
      5.000     5.000     0.000 peak  9058 weight  0.10000E+01 volume  0.56900E+00 ppm1      8.232 ppm2      2.943
 ASSI { 9059}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "127 " and name "HD1 ")
      5.000     5.000     0.000 peak  9059 weight  0.10000E+01 volume  0.37600E+00 ppm1      8.230 ppm2      7.125
 OR { 9059}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "127 " and name "HD2 ")
 ASSI { 9061}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "128 " and name "HA  ")
      5.000     5.000     0.000 peak  9061 weight  0.10000E+01 volume  0.61300E+00 ppm1      8.227 ppm2      3.870
 ASSI { 9062}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "128 " and name "HB1 ")
      5.000     5.000     0.000 peak  9062 weight  0.10000E+01 volume  0.98500E+00 ppm1      8.231 ppm2      1.717
 ASSI { 9063}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "128 " and name "HD12")
      5.000     5.000     0.000 peak  9063 weight  0.10000E+01 volume  0.82000E+00 ppm1      8.229 ppm2      0.722
 OR { 9063}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "128 " and name "HD11")
 OR { 9063}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "128 " and name "HD13")
 ASSI { 9064}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "128 " and name "HD21")
      5.000     5.000     0.000 peak  9064 weight  0.10000E+01 volume  0.10670E+01 ppm1      8.234 ppm2      0.892
 OR { 9064}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "128 " and name "HD23")
 OR { 9064}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "128 " and name "HD22")
 ASSI { 9065}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "128 " and name "HG  ")
      5.000     5.000     0.000 peak  9065 weight  0.10000E+01 volume  0.11060E+01 ppm1      8.229 ppm2      2.004
 ASSI { 9072}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "126 " and name "HA  ")
      6.000     6.000     0.000 peak  9072 weight  0.10000E+01 volume  0.23700E+00 ppm1      8.297 ppm2      4.009
 ASSI { 9073}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "128 " and name "HA  ")
      5.000     5.000     0.000 peak  9073 weight  0.10000E+01 volume  0.40100E+00 ppm1      8.297 ppm2      3.871
 ASSI { 9074}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "128 " and name "HB1 ")
      5.000     5.000     0.000 peak  9074 weight  0.10000E+01 volume  0.45800E+00 ppm1      8.298 ppm2      1.730
 ASSI { 9075}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "128 " and name "HB2 ")
      5.000     5.000     0.000 peak  9075 weight  0.10000E+01 volume  0.13950E+01 ppm1      8.294 ppm2      1.222
 ASSI { 9076}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "128 " and name "HD12")
      5.000     5.000     0.000 peak  9076 weight  0.10000E+01 volume  0.10130E+01 ppm1      8.284 ppm2      0.725
 OR { 9076}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "128 " and name "HD11")
 OR { 9076}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "128 " and name "HD13")
 ASSI { 9077}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "128 " and name "HG  ")
      6.000     6.000     0.000 peak  9077 weight  0.10000E+01 volume  0.12900E+00 ppm1      8.291 ppm2      2.005
 ASSI { 9078}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "129 " and name "HA  ")
      5.000     5.000     0.000 peak  9078 weight  0.10000E+01 volume  0.94100E+00 ppm1      8.290 ppm2      3.742
 ASSI { 9079}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "129 " and name "HB3 ")
      3.300     3.300     0.000 peak  9079 weight  0.10000E+01 volume  0.29590E+01 ppm1      8.291 ppm2      1.126
 OR { 9079}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "129 " and name "HB1 ")
 OR { 9079}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "129 " and name "HB2 ")
 ASSI { 9080}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "130 " and name "HD1 ")
      5.000     5.000     0.000 peak  9080 weight  0.10000E+01 volume  0.71400E+00 ppm1      8.293 ppm2      3.472
 ASSI { 9081}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "130 " and name "HD2 ")
      5.000     5.000     0.000 peak  9081 weight  0.10000E+01 volume  0.57900E+00 ppm1      8.287 ppm2      3.069
 ASSI { 9090}
     (segid "    " and resid "131 " and name "HN  ")
     (segid "    " and resid "130 " and name "HA  ")
      5.000     5.000     0.000 peak  9090 weight  0.10000E+01 volume  0.39500E+00 ppm1      6.828 ppm2      4.157
 ASSI { 9092}
     (segid "    " and resid "131 " and name "HN  ")
     (segid "    " and resid "131 " and name "HA  ")
      5.000     5.000     0.000 peak  9092 weight  0.10000E+01 volume  0.65700E+00 ppm1      6.827 ppm2      4.551
 ASSI { 9093}
     (segid "    " and resid "131 " and name "HN  ")
     (segid "    " and resid "131 " and name "HB1 ")
      5.000     5.000     0.000 peak  9093 weight  0.10000E+01 volume  0.78100E+00 ppm1      6.821 ppm2      2.290
 ASSI { 9094}
     (segid "    " and resid "131 " and name "HN  ")
     (segid "    " and resid "131 " and name "HG1 ")
      5.000     5.000     0.000 peak  9094 weight  0.10000E+01 volume  0.59200E+00 ppm1      6.826 ppm2      2.074
 ASSI { 9095}
     (segid "    " and resid "131 " and name "HN  ")
     (segid "    " and resid "131 " and name "HG2 ")
      5.000     5.000     0.000 peak  9095 weight  0.10000E+01 volume  0.11410E+01 ppm1      6.825 ppm2      1.968
 ASSI { 9101}
     (segid "    " and resid "132 " and name "HN  ")
     (segid "    " and resid "131 " and name "HA  ")
      6.000     6.000     0.000 peak  9101 weight  0.10000E+01 volume  0.23500E+00 ppm1      7.008 ppm2      4.543
 ASSI { 9102}
     (segid "    " and resid "132 " and name "HN  ")
     (segid "    " and resid "131 " and name "HB2 ")
      6.000     6.000     0.000 peak  9102 weight  0.10000E+01 volume  0.24000E+00 ppm1      7.008 ppm2      1.475
 ASSI { 9103}
     (segid "    " and resid "132 " and name "HN  ")
     (segid "    " and resid "131 " and name "HG2 ")
      6.000     6.000     0.000 peak  9103 weight  0.10000E+01 volume  0.20400E+00 ppm1      7.009 ppm2      1.968
 ASSI { 9105}
     (segid "    " and resid "132 " and name "HN  ")
     (segid "    " and resid "132 " and name "HA  ")
      5.000     5.000     0.000 peak  9105 weight  0.10000E+01 volume  0.44400E+00 ppm1      7.018 ppm2      5.071
 ASSI { 9106}
     (segid "    " and resid "132 " and name "HN  ")
     (segid "    " and resid "132 " and name "HB1 ")
      3.300     3.300     0.000 peak  9106 weight  0.10000E+01 volume  0.16410E+01 ppm1      7.017 ppm2      3.525
 OR { 9106}
     (segid "    " and resid "132 " and name "HN  ")
     (segid "    " and resid "132 " and name "HB2 ")
 ASSI { 9107}
     (segid "    " and resid "132 " and name "HN  ")
     (segid "    " and resid "132 " and name "HG  ")
      5.000     5.000     0.000 peak  9107 weight  0.10000E+01 volume  0.97600E+00 ppm1      7.012 ppm2      4.778
 ASSI { 9108}
     (segid "    " and resid "132 " and name "HN  ")
     (segid "    " and resid "133 " and name "HN  ")
      6.000     6.000     0.000 peak  9108 weight  0.10000E+01 volume  0.89000E-01 ppm1      7.014 ppm2      8.701
 ASSI { 9115}
     (segid "    " and resid "133 " and name "HN  ")
     (segid "    " and resid "132 " and name "HA  ")
      3.300     3.300     0.000 peak  9115 weight  0.10000E+01 volume  0.18820E+01 ppm1      8.718 ppm2      5.071
 ASSI { 9116}
     (segid "    " and resid "133 " and name "HN  ")
     (segid "    " and resid "132 " and name "HB1 ")
      5.000     5.000     0.000 peak  9116 weight  0.10000E+01 volume  0.52700E+00 ppm1      8.714 ppm2      3.540
 OR { 9116}
     (segid "    " and resid "133 " and name "HN  ")
     (segid "    " and resid "132 " and name "HB2 ")
 ASSI { 9117}
     (segid "    " and resid "133 " and name "HN  ")
     (segid "    " and resid "133 " and name "HA  ")
      5.000     5.000     0.000 peak  9117 weight  0.10000E+01 volume  0.77200E+00 ppm1      8.715 ppm2      4.688
 ASSI { 9118}
     (segid "    " and resid "133 " and name "HN  ")
     (segid "    " and resid "133 " and name "HB1 ")
      5.000     5.000     0.000 peak  9118 weight  0.10000E+01 volume  0.95700E+00 ppm1      8.718 ppm2      2.919
 ASSI { 9119}
     (segid "    " and resid "133 " and name "HN  ")
     (segid "    " and resid "133 " and name "HB2 ")
      5.000     5.000     0.000 peak  9119 weight  0.10000E+01 volume  0.97200E+00 ppm1      8.713 ppm2      2.588
 ASSI { 9120}
     (segid "    " and resid "133 " and name "HN  ")
     (segid "    " and resid "134 " and name "HN  ")
      6.000     6.000     0.000 peak  9120 weight  0.10000E+01 volume  0.10200E+00 ppm1      8.721 ppm2      7.974
 ASSI { 9123}
     (segid "    " and resid "134 " and name "HN  ")
     (segid "    " and resid "133 " and name "HA  ")
      3.300     3.300     0.000 peak  9123 weight  0.10000E+01 volume  0.26270E+01 ppm1      7.965 ppm2      4.689
 ASSI { 9125}
     (segid "    " and resid "134 " and name "HN  ")
     (segid "    " and resid "134 " and name "HA  ")
      5.000     5.000     0.000 peak  9125 weight  0.10000E+01 volume  0.66300E+00 ppm1      7.964 ppm2      3.876
 ASSI { 9126}
     (segid "    " and resid "134 " and name "HN  ")
     (segid "    " and resid "134 " and name "HB1 ")
      3.300     3.300     0.000 peak  9126 weight  0.10000E+01 volume  0.17730E+01 ppm1      7.968 ppm2      1.672
 ASSI { 9127}
     (segid "    " and resid "134 " and name "HN  ")
     (segid "    " and resid "134 " and name "HB2 ")
      3.300     3.300     0.000 peak  9127 weight  0.10000E+01 volume  0.17080E+01 ppm1      7.960 ppm2      1.608
 ASSI { 9128}
     (segid "    " and resid "134 " and name "HN  ")
     (segid "    " and resid "134 " and name "HD11")
      5.000     5.000     0.000 peak  9128 weight  0.10000E+01 volume  0.53800E+00 ppm1      7.964 ppm2      0.930
 OR { 9128}
     (segid "    " and resid "134 " and name "HN  ")
     (segid "    " and resid "134 " and name "HD13")
 OR { 9128}
     (segid "    " and resid "134 " and name "HN  ")
     (segid "    " and resid "134 " and name "HD12")
 ASSI { 9129}
     (segid "    " and resid "134 " and name "HN  ")
     (segid "    " and resid "134 " and name "HD21")
      5.000     5.000     0.000 peak  9129 weight  0.10000E+01 volume  0.56000E+00 ppm1      7.956 ppm2      0.692
 OR { 9129}
     (segid "    " and resid "134 " and name "HN  ")
     (segid "    " and resid "134 " and name "HD23")
 OR { 9129}
     (segid "    " and resid "134 " and name "HN  ")
     (segid "    " and resid "134 " and name "HD22")
 ASSI { 9130}
     (segid "    " and resid "134 " and name "HN  ")
     (segid "    " and resid "134 " and name "HG  ")
      3.300     3.300     0.000 peak  9130 weight  0.10000E+01 volume  0.18040E+01 ppm1      7.957 ppm2      1.949
 ASSI { 9133}
     (segid "    " and resid "135 " and name "HN  ")
     (segid "    " and resid "134 " and name "HA  ")
      6.000     6.000     0.000 peak  9133 weight  0.10000E+01 volume  0.26800E+00 ppm1      8.049 ppm2      3.880
 ASSI { 9134}
     (segid "    " and resid "135 " and name "HN  ")
     (segid "    " and resid "134 " and name "HB1 ")
      6.000     6.000     0.000 peak  9134 weight  0.10000E+01 volume  0.15600E+00 ppm1      8.047 ppm2      1.688
 ASSI { 9135}
     (segid "    " and resid "135 " and name "HN  ")
     (segid "    " and resid "134 " and name "HD21")
      6.000     6.000     0.000 peak  9135 weight  0.10000E+01 volume  0.17800E+00 ppm1      8.054 ppm2      0.693
 OR { 9135}
     (segid "    " and resid "135 " and name "HN  ")
     (segid "    " and resid "134 " and name "HD23")
 OR { 9135}
     (segid "    " and resid "135 " and name "HN  ")
     (segid "    " and resid "134 " and name "HD22")
 ASSI { 9136}
     (segid "    " and resid "135 " and name "HN  ")
     (segid "    " and resid "134 " and name "HG  ")
      6.000     6.000     0.000 peak  9136 weight  0.10000E+01 volume  0.14900E+00 ppm1      8.052 ppm2      1.949
 ASSI { 9137}
     (segid "    " and resid "135 " and name "HN  ")
     (segid "    " and resid "135 " and name "HA  ")
      5.000     5.000     0.000 peak  9137 weight  0.10000E+01 volume  0.14900E+01 ppm1      8.053 ppm2      4.720
 ASSI { 9138}
     (segid "    " and resid "135 " and name "HN  ")
     (segid "    " and resid "135 " and name "HB1 ")
      5.000     5.000     0.000 peak  9138 weight  0.10000E+01 volume  0.11430E+01 ppm1      8.056 ppm2      3.337
 ASSI { 9139}
     (segid "    " and resid "135 " and name "HN  ")
     (segid "    " and resid "135 " and name "HB2 ")
      5.000     5.000     0.000 peak  9139 weight  0.10000E+01 volume  0.14950E+01 ppm1      8.049 ppm2      3.107
 ASSI { 9140}
     (segid "    " and resid "135 " and name "HN  ")
     (segid "    " and resid "135 " and name "HD2 ")
      6.000     6.000     0.000 peak  9140 weight  0.10000E+01 volume  0.25700E+00 ppm1      8.051 ppm2      7.100
 ASSI { 9146}
     (segid "    " and resid "136 " and name "HN  ")
     (segid "    " and resid "135 " and name "HA  ")
      5.000     5.000     0.000 peak  9146 weight  0.10000E+01 volume  0.58600E+00 ppm1      7.555 ppm2      4.722
 ASSI { 9148}
     (segid "    " and resid "136 " and name "HN  ")
     (segid "    " and resid "136 " and name "HA  ")
      5.000     5.000     0.000 peak  9148 weight  0.10000E+01 volume  0.88600E+00 ppm1      7.557 ppm2      4.291
 ASSI { 9151}
     (segid "    " and resid "137 " and name "HN  ")
     (segid "    " and resid "136 " and name "HA  ")
      2.700     2.700     0.000 peak  9151 weight  0.10000E+01 volume  0.34770E+01 ppm1      7.446 ppm2      4.288
 ASSI { 9153}
     (segid "    " and resid "137 " and name "HN  ")
     (segid "    " and resid "137 " and name "HB1 ")
      5.000     5.000     0.000 peak  9153 weight  0.10000E+01 volume  0.10220E+01 ppm1      7.446 ppm2      1.546
 ASSI { 9154}
     (segid "    " and resid "137 " and name "HN  ")
     (segid "    " and resid "137 " and name "HB2 ")
      5.000     5.000     0.000 peak  9154 weight  0.10000E+01 volume  0.76800E+00 ppm1      7.451 ppm2      1.259
 ASSI { 9155}
     (segid "    " and resid "137 " and name "HN  ")
     (segid "    " and resid "137 " and name "HD2 ")
      5.000     5.000     0.000 peak  9155 weight  0.10000E+01 volume  0.62200E+00 ppm1      7.446 ppm2      3.122
 OR { 9155}
     (segid "    " and resid "137 " and name "HN  ")
     (segid "    " and resid "137 " and name "HD1 ")
 ASSI { 9156}
     (segid "    " and resid "137 " and name "HN  ")
     (segid "    " and resid "137 " and name "HG1 ")
      5.000     5.000     0.000 peak  9156 weight  0.10000E+01 volume  0.98600E+00 ppm1      7.451 ppm2      1.677
 ASSI { 9157}
     (segid "    " and resid "137 " and name "HN  ")
     (segid "    " and resid "137 " and name "HG2 ")
      5.000     5.000     0.000 peak  9157 weight  0.10000E+01 volume  0.46700E+00 ppm1      7.450 ppm2      1.438
 ASSI { 9162}
     (segid "    " and resid "138 " and name "HN  ")
     (segid "    " and resid "137 " and name "HA  ")
      3.300     3.300     0.000 peak  9162 weight  0.10000E+01 volume  0.25570E+01 ppm1      7.705 ppm2      4.214
 ASSI { 9163}
     (segid "    " and resid "138 " and name "HN  ")
     (segid "    " and resid "137 " and name "HB2 ")
      5.000     5.000     0.000 peak  9163 weight  0.10000E+01 volume  0.50300E+00 ppm1      7.706 ppm2      1.266
 ASSI { 9164}
     (segid "    " and resid "138 " and name "HN  ")
     (segid "    " and resid "137 " and name "HG1 ")
      5.000     5.000     0.000 peak  9164 weight  0.10000E+01 volume  0.71400E+00 ppm1      7.704 ppm2      1.672
 ASSI { 9165}
     (segid "    " and resid "138 " and name "HN  ")
     (segid "    " and resid "137 " and name "HN  ")
      6.000     6.000     0.000 peak  9165 weight  0.10000E+01 volume  0.14300E+00 ppm1      7.705 ppm2      7.436
 ASSI { 9166}
     (segid "    " and resid "138 " and name "HN  ")
     (segid "    " and resid "138 " and name "HA  ")
      5.000     5.000     0.000 peak  9166 weight  0.10000E+01 volume  0.58500E+00 ppm1      7.701 ppm2      4.569
 ASSI { 9167}
     (segid "    " and resid "138 " and name "HN  ")
     (segid "    " and resid "138 " and name "HB1 ")
      5.000     5.000     0.000 peak  9167 weight  0.10000E+01 volume  0.36600E+00 ppm1      7.706 ppm2      2.858
 ASSI { 9168}
     (segid "    " and resid "138 " and name "HN  ")
     (segid "    " and resid "142 " and name "HN  ")
      5.000     5.000     0.000 peak  9168 weight  0.10000E+01 volume  0.53700E+00 ppm1      7.704 ppm2      8.193
 ASSI { 9172}
     (segid "    " and resid "139 " and name "HN  ")
     (segid "    " and resid "138 " and name "HA  ")
      5.000     5.000     0.000 peak  9172 weight  0.10000E+01 volume  0.14330E+01 ppm1      8.296 ppm2      4.571
 ASSI { 9173}
     (segid "    " and resid "139 " and name "HN  ")
     (segid "    " and resid "138 " and name "HB1 ")
      3.300     3.300     0.000 peak  9173 weight  0.10000E+01 volume  0.15770E+01 ppm1      8.296 ppm2      2.856
 ASSI { 9174}
     (segid "    " and resid "139 " and name "HN  ")
     (segid "    " and resid "138 " and name "HB2 ")
      5.000     5.000     0.000 peak  9174 weight  0.10000E+01 volume  0.12730E+01 ppm1      8.299 ppm2      1.597
 ASSI { 9175}
     (segid "    " and resid "139 " and name "HN  ")
     (segid "    " and resid "138 " and name "HN  ")
      6.000     6.000     0.000 peak  9175 weight  0.10000E+01 volume  0.14600E+00 ppm1      8.296 ppm2      7.712
 ASSI { 9176}
     (segid "    " and resid "139 " and name "HN  ")
     (segid "    " and resid "139 " and name "HA  ")
      3.300     3.300     0.000 peak  9176 weight  0.10000E+01 volume  0.23110E+01 ppm1      8.291 ppm2      4.128
 ASSI { 9177}
     (segid "    " and resid "139 " and name "HN  ")
     (segid "    " and resid "139 " and name "HB2 ")
      3.300     3.300     0.000 peak  9177 weight  0.10000E+01 volume  0.28910E+01 ppm1      8.297 ppm2      1.394
 OR { 9177}
     (segid "    " and resid "139 " and name "HN  ")
     (segid "    " and resid "139 " and name "HB1 ")
 OR { 9177}
     (segid "    " and resid "139 " and name "HN  ")
     (segid "    " and resid "139 " and name "HB3 ")
 ASSI { 9178}
     (segid "    " and resid "139 " and name "HN  ")
     (segid "    " and resid "140 " and name "HN  ")
      3.300     3.300     0.000 peak  9178 weight  0.10000E+01 volume  0.24090E+01 ppm1      8.297 ppm2      8.143
 ASSI { 9183}
     (segid "    " and resid "140 " and name "HN  ")
     (segid "    " and resid "139 " and name "HA  ")
      3.300     3.300     0.000 peak  9183 weight  0.10000E+01 volume  0.17380E+01 ppm1      8.138 ppm2      4.117
 ASSI { 9184}
     (segid "    " and resid "140 " and name "HN  ")
     (segid "    " and resid "139 " and name "HB1 ")
      5.000     5.000     0.000 peak  9184 weight  0.10000E+01 volume  0.81200E+00 ppm1      8.136 ppm2      1.399
 OR { 9184}
     (segid "    " and resid "140 " and name "HN  ")
     (segid "    " and resid "139 " and name "HB3 ")
 OR { 9184}
     (segid "    " and resid "140 " and name "HN  ")
     (segid "    " and resid "139 " and name "HB2 ")
 ASSI { 9186}
     (segid "    " and resid "140 " and name "HN  ")
     (segid "    " and resid "140 " and name "HA  ")
      5.000     5.000     0.000 peak  9186 weight  0.10000E+01 volume  0.11680E+01 ppm1      8.140 ppm2      4.516
 ASSI { 9187}
     (segid "    " and resid "140 " and name "HN  ")
     (segid "    " and resid "140 " and name "HB2 ")
      5.000     5.000     0.000 peak  9187 weight  0.10000E+01 volume  0.78900E+00 ppm1      8.132 ppm2      3.918
 ASSI { 9192}
     (segid "    " and resid "141 " and name "HN  ")
     (segid "    " and resid "140 " and name "HN  ")
      2.700     2.700     0.000 peak  9192 weight  0.10000E+01 volume  0.33330E+01 ppm1      8.449 ppm2      8.145
 ASSI { 9193}
     (segid "    " and resid "141 " and name "HN  ")
     (segid "    " and resid "141 " and name "HA1 ")
      5.000     5.000     0.000 peak  9193 weight  0.10000E+01 volume  0.12740E+01 ppm1      8.450 ppm2      4.322
 ASSI { 9194}
     (segid "    " and resid "141 " and name "HN  ")
     (segid "    " and resid "141 " and name "HA2 ")
      3.300     3.300     0.000 peak  9194 weight  0.10000E+01 volume  0.16730E+01 ppm1      8.451 ppm2      3.686
 ASSI { 9195}
     (segid "    " and resid "141 " and name "HN  ")
     (segid "    " and resid "142 " and name "HN  ")
      3.300     3.300     0.000 peak  9195 weight  0.10000E+01 volume  0.28950E+01 ppm1      8.451 ppm2      8.205
 ASSI { 9199}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "141 " and name "HA1 ")
      5.000     5.000     0.000 peak  9199 weight  0.10000E+01 volume  0.37200E+00 ppm1      8.199 ppm2      4.324
 ASSI { 9200}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "141 " and name "HA2 ")
      5.000     5.000     0.000 peak  9200 weight  0.10000E+01 volume  0.47500E+00 ppm1      8.195 ppm2      3.692
 ASSI { 9202}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "142 " and name "HA  ")
      5.000     5.000     0.000 peak  9202 weight  0.10000E+01 volume  0.50700E+00 ppm1      8.203 ppm2      4.992
 ASSI { 9203}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "142 " and name "HB1 ")
      5.000     5.000     0.000 peak  9203 weight  0.10000E+01 volume  0.96900E+00 ppm1      8.199 ppm2      2.063
 ASSI { 9204}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "142 " and name "HB2 ")
      5.000     5.000     0.000 peak  9204 weight  0.10000E+01 volume  0.72200E+00 ppm1      8.202 ppm2      1.318
 ASSI { 9205}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "142 " and name "HD11")
      6.000     6.000     0.000 peak  9205 weight  0.10000E+01 volume  0.26300E+00 ppm1      8.194 ppm2      0.881
 OR { 9205}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "142 " and name "HD12")
 OR { 9205}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "142 " and name "HD13")
 ASSI { 9206}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "142 " and name "HD23")
      5.000     5.000     0.000 peak  9206 weight  0.10000E+01 volume  0.30000E+00 ppm1      8.196 ppm2      0.746
 OR { 9206}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "142 " and name "HD21")
 OR { 9206}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "142 " and name "HD22")
 ASSI { 9207}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "142 " and name "HG  ")
      5.000     5.000     0.000 peak  9207 weight  0.10000E+01 volume  0.13700E+01 ppm1      8.198 ppm2      1.505
 ASSI { 9208}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "143 " and name "HN  ")
      5.000     5.000     0.000 peak  9208 weight  0.10000E+01 volume  0.50400E+00 ppm1      8.203 ppm2      8.552
 ASSI { 9211}
     (segid "    " and resid "143 " and name "HN  ")
     (segid "    " and resid "142 " and name "HA  ")
      3.300     3.300     0.000 peak  9211 weight  0.10000E+01 volume  0.17290E+01 ppm1      8.540 ppm2      4.988
 ASSI { 9212}
     (segid "    " and resid "143 " and name "HN  ")
     (segid "    " and resid "142 " and name "HD21")
      5.000     5.000     0.000 peak  9212 weight  0.10000E+01 volume  0.46700E+00 ppm1      8.542 ppm2      0.742
 OR { 9212}
     (segid "    " and resid "143 " and name "HN  ")
     (segid "    " and resid "142 " and name "HD23")
 OR { 9212}
     (segid "    " and resid "143 " and name "HN  ")
     (segid "    " and resid "142 " and name "HD22")
 ASSI { 9214}
     (segid "    " and resid "143 " and name "HN  ")
     (segid "    " and resid "143 " and name "HA  ")
      5.000     5.000     0.000 peak  9214 weight  0.10000E+01 volume  0.34600E+00 ppm1      8.541 ppm2      5.345
 ASSI { 9215}
     (segid "    " and resid "143 " and name "HN  ")
     (segid "    " and resid "143 " and name "HG22")
      5.000     5.000     0.000 peak  9215 weight  0.10000E+01 volume  0.12910E+01 ppm1      8.542 ppm2      1.251
 OR { 9215}
     (segid "    " and resid "143 " and name "HN  ")
     (segid "    " and resid "143 " and name "HG23")
 OR { 9215}
     (segid "    " and resid "143 " and name "HN  ")
     (segid "    " and resid "143 " and name "HG21")
 ASSI { 9224}
     (segid "    " and resid "145 " and name "HN  ")
     (segid "    " and resid "145 " and name "HA  ")
      5.000     5.000     0.000 peak  9224 weight  0.10000E+01 volume  0.66000E+00 ppm1      8.795 ppm2      3.923
 ASSI { 9225}
     (segid "    " and resid "145 " and name "HN  ")
     (segid "    " and resid "145 " and name "HB1 ")
      3.300     3.300     0.000 peak  9225 weight  0.10000E+01 volume  0.20130E+01 ppm1      8.794 ppm2      1.759
 ASSI { 9226}
     (segid "    " and resid "145 " and name "HN  ")
     (segid "    " and resid "145 " and name "HB2 ")
      5.000     5.000     0.000 peak  9226 weight  0.10000E+01 volume  0.13440E+01 ppm1      8.796 ppm2      1.399
 ASSI { 9227}
     (segid "    " and resid "145 " and name "HN  ")
     (segid "    " and resid "145 " and name "HG  ")
      5.000     5.000     0.000 peak  9227 weight  0.10000E+01 volume  0.54700E+00 ppm1      8.796 ppm2      1.524
 ASSI { 9228}
     (segid "    " and resid "145 " and name "HN  ")
     (segid "    " and resid "146 " and name "HN  ")
      5.000     5.000     0.000 peak  9228 weight  0.10000E+01 volume  0.62100E+00 ppm1      8.799 ppm2      7.652
 ASSI { 9234}
     (segid "    " and resid "146 " and name "HN  ")
     (segid "    " and resid "145 " and name "HB1 ")
      5.000     5.000     0.000 peak  9234 weight  0.10000E+01 volume  0.46600E+00 ppm1      7.642 ppm2      1.741
 ASSI { 9235}
     (segid "    " and resid "146 " and name "HN  ")
     (segid "    " and resid "145 " and name "HB2 ")
      5.000     5.000     0.000 peak  9235 weight  0.10000E+01 volume  0.39800E+00 ppm1      7.644 ppm2      1.390
 ASSI { 9236}
     (segid "    " and resid "146 " and name "HN  ")
     (segid "    " and resid "145 " and name "HD23")
      6.000     6.000     0.000 peak  9236 weight  0.10000E+01 volume  0.23200E+00 ppm1      7.643 ppm2      1.015
 OR { 9236}
     (segid "    " and resid "146 " and name "HN  ")
     (segid "    " and resid "145 " and name "HD21")
 OR { 9236}
     (segid "    " and resid "146 " and name "HN  ")
     (segid "    " and resid "145 " and name "HD22")
 ASSI { 9237}
     (segid "    " and resid "146 " and name "HN  ")
     (segid "    " and resid "145 " and name "HG  ")
      5.000     5.000     0.000 peak  9237 weight  0.10000E+01 volume  0.37600E+00 ppm1      7.645 ppm2      1.523
 ASSI { 9238}
     (segid "    " and resid "146 " and name "HN  ")
     (segid "    " and resid "146 " and name "HA  ")
      5.000     5.000     0.000 peak  9238 weight  0.10000E+01 volume  0.75100E+00 ppm1      7.642 ppm2      3.985
 ASSI { 9239}
     (segid "    " and resid "146 " and name "HN  ")
     (segid "    " and resid "146 " and name "HB2 ")
      3.300     3.300     0.000 peak  9239 weight  0.10000E+01 volume  0.17150E+01 ppm1      7.643 ppm2      2.135
 OR { 9239}
     (segid "    " and resid "146 " and name "HN  ")
     (segid "    " and resid "146 " and name "HB1 ")
 ASSI { 9240}
     (segid "    " and resid "146 " and name "HN  ")
     (segid "    " and resid "146 " and name "HG1 ")
      5.000     5.000     0.000 peak  9240 weight  0.10000E+01 volume  0.13270E+01 ppm1      7.644 ppm2      2.425
 ASSI { 9241}
     (segid "    " and resid "146 " and name "HN  ")
     (segid "    " and resid "146 " and name "HG2 ")
      5.000     5.000     0.000 peak  9241 weight  0.10000E+01 volume  0.13250E+01 ppm1      7.646 ppm2      2.345
 ASSI { 9242}
     (segid "    " and resid "146 " and name "HN  ")
     (segid "    " and resid "147 " and name "HN  ")
      3.300     3.300     0.000 peak  9242 weight  0.10000E+01 volume  0.15710E+01 ppm1      7.646 ppm2      8.763
 ASSI { 9247}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "144 " and name "HA  ")
      5.000     5.000     0.000 peak  9247 weight  0.10000E+01 volume  0.62500E+00 ppm1      8.750 ppm2      3.679
 ASSI { 9248}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "146 " and name "HA  ")
      5.000     5.000     0.000 peak  9248 weight  0.10000E+01 volume  0.44700E+00 ppm1      8.759 ppm2      3.983
 ASSI { 9249}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "146 " and name "HB1 ")
      3.300     3.300     0.000 peak  9249 weight  0.10000E+01 volume  0.24280E+01 ppm1      8.755 ppm2      2.139
 OR { 9249}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "146 " and name "HB2 ")
 ASSI { 9251}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "147 " and name "HA  ")
      5.000     5.000     0.000 peak  9251 weight  0.10000E+01 volume  0.67000E+00 ppm1      8.754 ppm2      4.208
 ASSI { 9252}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "147 " and name "HD13")
      5.000     5.000     0.000 peak  9252 weight  0.10000E+01 volume  0.77700E+00 ppm1      8.757 ppm2      1.176
 OR { 9252}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "147 " and name "HD11")
 OR { 9252}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "147 " and name "HD12")
 ASSI { 9253}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "147 " and name "HD23")
      5.000     5.000     0.000 peak  9253 weight  0.10000E+01 volume  0.38300E+00 ppm1      8.753 ppm2      1.039
 OR { 9253}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "147 " and name "HD22")
 OR { 9253}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "147 " and name "HD21")
 ASSI { 9254}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "148 " and name "HN  ")
      5.000     5.000     0.000 peak  9254 weight  0.10000E+01 volume  0.78700E+00 ppm1      8.756 ppm2      8.275
 ASSI { 9262}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "145 " and name "HA  ")
      5.000     5.000     0.000 peak  9262 weight  0.10000E+01 volume  0.42900E+00 ppm1      8.276 ppm2      3.934
 ASSI { 9263}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "147 " and name "HA  ")
      5.000     5.000     0.000 peak  9263 weight  0.10000E+01 volume  0.51200E+00 ppm1      8.276 ppm2      4.214
 ASSI { 9264}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "147 " and name "HB1 ")
      3.300     3.300     0.000 peak  9264 weight  0.10000E+01 volume  0.16550E+01 ppm1      8.278 ppm2      2.134
 ASSI { 9265}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "147 " and name "HB2 ")
      5.000     5.000     0.000 peak  9265 weight  0.10000E+01 volume  0.14170E+01 ppm1      8.278 ppm2      1.546
 ASSI { 9266}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "147 " and name "HD11")
      5.000     5.000     0.000 peak  9266 weight  0.10000E+01 volume  0.32500E+00 ppm1      8.275 ppm2      1.192
 OR { 9266}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "147 " and name "HD12")
 OR { 9266}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "147 " and name "HD13")
 ASSI { 9267}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "147 " and name "HD22")
      5.000     5.000     0.000 peak  9267 weight  0.10000E+01 volume  0.69400E+00 ppm1      8.281 ppm2      1.024
 OR { 9267}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "147 " and name "HD23")
 OR { 9267}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "147 " and name "HD21")
 ASSI { 9269}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "148 " and name "HA  ")
      5.000     5.000     0.000 peak  9269 weight  0.10000E+01 volume  0.94800E+00 ppm1      8.274 ppm2      3.744
 ASSI { 9270}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "148 " and name "HB2 ")
      2.700     2.700     0.000 peak  9270 weight  0.10000E+01 volume  0.30150E+01 ppm1      8.277 ppm2      1.432
 OR { 9270}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "148 " and name "HB1 ")
 OR { 9270}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "148 " and name "HB3 ")
 ASSI { 9271}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "149 " and name "HN  ")
      5.000     5.000     0.000 peak  9271 weight  0.10000E+01 volume  0.11840E+01 ppm1      8.279 ppm2      8.560
 ASSI { 9275}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "146 " and name "HA  ")
      5.000     5.000     0.000 peak  9275 weight  0.10000E+01 volume  0.47000E+00 ppm1      8.557 ppm2      3.986
 ASSI { 9276}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "148 " and name "HA  ")
      6.000     6.000     0.000 peak  9276 weight  0.10000E+01 volume  0.22700E+00 ppm1      8.557 ppm2      3.734
 ASSI { 9277}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "148 " and name "HB1 ")
      5.000     5.000     0.000 peak  9277 weight  0.10000E+01 volume  0.12610E+01 ppm1      8.557 ppm2      1.427
 OR { 9277}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "148 " and name "HB2 ")
 OR { 9277}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "148 " and name "HB3 ")
 ASSI { 9279}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "149 " and name "HA  ")
      5.000     5.000     0.000 peak  9279 weight  0.10000E+01 volume  0.92800E+00 ppm1      8.557 ppm2      4.337
 ASSI { 9280}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "149 " and name "HB1 ")
      3.300     3.300     0.000 peak  9280 weight  0.10000E+01 volume  0.20790E+01 ppm1      8.558 ppm2      1.978
 ASSI { 9281}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "149 " and name "HB2 ")
      3.300     3.300     0.000 peak  9281 weight  0.10000E+01 volume  0.22280E+01 ppm1      8.558 ppm2      1.869
 ASSI { 9282}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "149 " and name "HG1 ")
      5.000     5.000     0.000 peak  9282 weight  0.10000E+01 volume  0.12100E+01 ppm1      8.556 ppm2      1.765
 ASSI { 9283}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "149 " and name "HG2 ")
      5.000     5.000     0.000 peak  9283 weight  0.10000E+01 volume  0.44000E+00 ppm1      8.558 ppm2      1.577
 ASSI { 9284}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "150 " and name "HN  ")
      2.700     2.700     0.000 peak  9284 weight  0.10000E+01 volume  0.51390E+01 ppm1      8.558 ppm2      8.436
 ASSI { 9288}
     (segid "    " and resid "150 " and name "HN  ")
     (segid "    " and resid "147 " and name "HA  ")
      5.000     5.000     0.000 peak  9288 weight  0.10000E+01 volume  0.38900E+00 ppm1      8.432 ppm2      4.194
 ASSI { 9289}
     (segid "    " and resid "150 " and name "HN  ")
     (segid "    " and resid "149 " and name "HA  ")
      5.000     5.000     0.000 peak  9289 weight  0.10000E+01 volume  0.43700E+00 ppm1      8.437 ppm2      4.325
 ASSI { 9290}
     (segid "    " and resid "150 " and name "HN  ")
     (segid "    " and resid "149 " and name "HB1 ")
      5.000     5.000     0.000 peak  9290 weight  0.10000E+01 volume  0.12040E+01 ppm1      8.434 ppm2      1.978
 ASSI { 9291}
     (segid "    " and resid "150 " and name "HN  ")
     (segid "    " and resid "149 " and name "HB2 ")
      5.000     5.000     0.000 peak  9291 weight  0.10000E+01 volume  0.98900E+00 ppm1      8.438 ppm2      1.873
 ASSI { 9292}
     (segid "    " and resid "150 " and name "HN  ")
     (segid "    " and resid "149 " and name "HG1 ")
      5.000     5.000     0.000 peak  9292 weight  0.10000E+01 volume  0.45100E+00 ppm1      8.433 ppm2      1.761
 ASSI { 9293}
     (segid "    " and resid "150 " and name "HN  ")
     (segid "    " and resid "149 " and name "HG2 ")
      6.000     6.000     0.000 peak  9293 weight  0.10000E+01 volume  0.18100E+00 ppm1      8.423 ppm2      1.582
 ASSI { 9295}
     (segid "    " and resid "150 " and name "HN  ")
     (segid "    " and resid "150 " and name "HA  ")
      5.000     5.000     0.000 peak  9295 weight  0.10000E+01 volume  0.14200E+01 ppm1      8.435 ppm2      4.055
 ASSI { 9296}
     (segid "    " and resid "150 " and name "HN  ")
     (segid "    " and resid "150 " and name "HB1 ")
      3.300     3.300     0.000 peak  9296 weight  0.10000E+01 volume  0.18530E+01 ppm1      8.432 ppm2      2.395
 ASSI { 9297}
     (segid "    " and resid "150 " and name "HN  ")
     (segid "    " and resid "150 " and name "HB2 ")
      3.300     3.300     0.000 peak  9297 weight  0.10000E+01 volume  0.18840E+01 ppm1      8.434 ppm2      2.227
 ASSI { 9298}
     (segid "    " and resid "150 " and name "HN  ")
     (segid "    " and resid "150 " and name "HG1 ")
      5.000     5.000     0.000 peak  9298 weight  0.10000E+01 volume  0.42500E+00 ppm1      8.433 ppm2      2.559
 ASSI { 9299}
     (segid "    " and resid "150 " and name "HN  ")
     (segid "    " and resid "151 " and name "HN  ")
      5.000     5.000     0.000 peak  9299 weight  0.10000E+01 volume  0.10810E+01 ppm1      8.433 ppm2      7.798
 ASSI { 9309}
     (segid "    " and resid "151 " and name "HN  ")
     (segid "    " and resid "148 " and name "HA  ")
      6.000     6.000     0.000 peak  9309 weight  0.10000E+01 volume  0.17200E+00 ppm1      7.797 ppm2      3.745
 ASSI { 9310}
     (segid "    " and resid "151 " and name "HN  ")
     (segid "    " and resid "150 " and name "HA  ")
      5.000     5.000     0.000 peak  9310 weight  0.10000E+01 volume  0.46500E+00 ppm1      7.796 ppm2      4.058
 ASSI { 9311}
     (segid "    " and resid "151 " and name "HN  ")
     (segid "    " and resid "150 " and name "HB1 ")
      5.000     5.000     0.000 peak  9311 weight  0.10000E+01 volume  0.14030E+01 ppm1      7.798 ppm2      2.389
 ASSI { 9312}
     (segid "    " and resid "151 " and name "HN  ")
     (segid "    " and resid "150 " and name "HB2 ")
      5.000     5.000     0.000 peak  9312 weight  0.10000E+01 volume  0.14000E+01 ppm1      7.799 ppm2      2.208
 ASSI { 9314}
     (segid "    " and resid "151 " and name "HN  ")
     (segid "    " and resid "151 " and name "HA  ")
      5.000     5.000     0.000 peak  9314 weight  0.10000E+01 volume  0.11430E+01 ppm1      7.795 ppm2      4.297
 ASSI { 9315}
     (segid "    " and resid "151 " and name "HN  ")
     (segid "    " and resid "151 " and name "HB1 ")
      5.000     5.000     0.000 peak  9315 weight  0.10000E+01 volume  0.13850E+01 ppm1      7.797 ppm2      2.157
 ASSI { 9316}
     (segid "    " and resid "151 " and name "HN  ")
     (segid "    " and resid "151 " and name "HB2 ")
      2.700     2.700     0.000 peak  9316 weight  0.10000E+01 volume  0.36790E+01 ppm1      7.797 ppm2      1.794
 ASSI { 9317}
     (segid "    " and resid "151 " and name "HN  ")
     (segid "    " and resid "152 " and name "HN  ")
      5.000     5.000     0.000 peak  9317 weight  0.10000E+01 volume  0.12870E+01 ppm1      7.797 ppm2      7.987
 ASSI { 9324}
     (segid "    " and resid "152 " and name "HN  ")
     (segid "    " and resid "151 " and name "HA  ")
      5.000     5.000     0.000 peak  9324 weight  0.10000E+01 volume  0.83400E+00 ppm1      7.996 ppm2      4.308
 ASSI { 9325}
     (segid "    " and resid "152 " and name "HN  ")
     (segid "    " and resid "152 " and name "HA1 ")
      3.300     3.300     0.000 peak  9325 weight  0.10000E+01 volume  0.22910E+01 ppm1      7.993 ppm2      4.040
 ASSI { 9326}
     (segid "    " and resid "152 " and name "HN  ")
     (segid "    " and resid "152 " and name "HA2 ")
      3.300     3.300     0.000 peak  9326 weight  0.10000E+01 volume  0.28500E+01 ppm1      7.994 ppm2      3.868
 ASSI { 9327}
     (segid "    " and resid "152 " and name "HN  ")
     (segid "    " and resid "153 " and name "HN  ")
      3.300     3.300     0.000 peak  9327 weight  0.10000E+01 volume  0.28480E+01 ppm1      7.996 ppm2      7.818
 ASSI { 9331}
     (segid "    " and resid "153 " and name "HN  ")
     (segid "    " and resid "152 " and name "HA1 ")
      3.300     3.300     0.000 peak  9331 weight  0.10000E+01 volume  0.17970E+01 ppm1      7.839 ppm2      4.034
 ASSI { 9332}
     (segid "    " and resid "153 " and name "HN  ")
     (segid "    " and resid "152 " and name "HA2 ")
      5.000     5.000     0.000 peak  9332 weight  0.10000E+01 volume  0.69500E+00 ppm1      7.839 ppm2      3.866
 ASSI { 9334}
     (segid "    " and resid "153 " and name "HN  ")
     (segid "    " and resid "153 " and name "HB3 ")
      2.700     2.700     0.000 peak  9334 weight  0.10000E+01 volume  0.58040E+01 ppm1      7.834 ppm2      1.368
 OR { 9334}
     (segid "    " and resid "153 " and name "HN  ")
     (segid "    " and resid "153 " and name "HB2 ")
 OR { 9334}
     (segid "    " and resid "153 " and name "HN  ")
     (segid "    " and resid "153 " and name "HB1 ")
 ASSI { 9339}
     (segid "    " and resid "156 " and name "HN  ")
     (segid "    " and resid "156 " and name "HA  ")
      5.000     5.000     0.000 peak  9339 weight  0.10000E+01 volume  0.35900E+00 ppm1      7.132 ppm2      4.146
 ASSI { 9340}
     (segid "    " and resid "156 " and name "HN  ")
     (segid "    " and resid "156 " and name "HB1 ")
      5.000     5.000     0.000 peak  9340 weight  0.10000E+01 volume  0.85500E+00 ppm1      7.136 ppm2      2.079
 ASSI { 9341}
     (segid "    " and resid "156 " and name "HN  ")
     (segid "    " and resid "156 " and name "HB2 ")
      5.000     5.000     0.000 peak  9341 weight  0.10000E+01 volume  0.45500E+00 ppm1      7.136 ppm2      1.149
 ASSI { 9342}
     (segid "    " and resid "156 " and name "HN  ")
     (segid "    " and resid "156 " and name "HD11")
      5.000     5.000     0.000 peak  9342 weight  0.10000E+01 volume  0.56500E+00 ppm1      7.135 ppm2      0.993
 OR { 9342}
     (segid "    " and resid "156 " and name "HN  ")
     (segid "    " and resid "156 " and name "HD12")
 OR { 9342}
     (segid "    " and resid "156 " and name "HN  ")
     (segid "    " and resid "156 " and name "HD13")
 ASSI { 9343}
     (segid "    " and resid "156 " and name "HN  ")
     (segid "    " and resid "156 " and name "HD22")
      5.000     5.000     0.000 peak  9343 weight  0.10000E+01 volume  0.59500E+00 ppm1      7.135 ppm2      0.724
 OR { 9343}
     (segid "    " and resid "156 " and name "HN  ")
     (segid "    " and resid "156 " and name "HD23")
 OR { 9343}
     (segid "    " and resid "156 " and name "HN  ")
     (segid "    " and resid "156 " and name "HD21")
 ASSI { 9344}
     (segid "    " and resid "156 " and name "HN  ")
     (segid "    " and resid "156 " and name "HG  ")
      3.300     3.300     0.000 peak  9344 weight  0.10000E+01 volume  0.21460E+01 ppm1      7.137 ppm2      1.880
 ASSI { 9351}
     (segid "    " and resid "157 " and name "HN  ")
     (segid "    " and resid "156 " and name "HA  ")
      5.000     5.000     0.000 peak  9351 weight  0.10000E+01 volume  0.98300E+00 ppm1      8.177 ppm2      4.146
 ASSI { 9352}
     (segid "    " and resid "157 " and name "HN  ")
     (segid "    " and resid "156 " and name "HB1 ")
      5.000     5.000     0.000 peak  9352 weight  0.10000E+01 volume  0.12420E+01 ppm1      8.173 ppm2      2.066
 ASSI { 9353}
     (segid "    " and resid "157 " and name "HN  ")
     (segid "    " and resid "156 " and name "HB2 ")
      5.000     5.000     0.000 peak  9353 weight  0.10000E+01 volume  0.39500E+00 ppm1      8.178 ppm2      1.167
 ASSI { 9354}
     (segid "    " and resid "157 " and name "HN  ")
     (segid "    " and resid "156 " and name "HD11")
      5.000     5.000     0.000 peak  9354 weight  0.10000E+01 volume  0.38200E+00 ppm1      8.180 ppm2      0.993
 OR { 9354}
     (segid "    " and resid "157 " and name "HN  ")
     (segid "    " and resid "156 " and name "HD12")
 OR { 9354}
     (segid "    " and resid "157 " and name "HN  ")
     (segid "    " and resid "156 " and name "HD13")
 ASSI { 9356}
     (segid "    " and resid "157 " and name "HN  ")
     (segid "    " and resid "157 " and name "HA  ")
      5.000     5.000     0.000 peak  9356 weight  0.10000E+01 volume  0.92600E+00 ppm1      8.176 ppm2      3.710
 ASSI { 9357}
     (segid "    " and resid "157 " and name "HN  ")
     (segid "    " and resid "157 " and name "HB1 ")
      3.300     3.300     0.000 peak  9357 weight  0.10000E+01 volume  0.28970E+01 ppm1      8.173 ppm2      2.287
 ASSI { 9358}
     (segid "    " and resid "157 " and name "HN  ")
     (segid "    " and resid "157 " and name "HB2 ")
      3.300     3.300     0.000 peak  9358 weight  0.10000E+01 volume  0.16490E+01 ppm1      8.173 ppm2      2.167
 ASSI { 9359}
     (segid "    " and resid "157 " and name "HN  ")
     (segid "    " and resid "157 " and name "HG1 ")
      2.700     2.700     0.000 peak  9359 weight  0.10000E+01 volume  0.30340E+01 ppm1      8.173 ppm2      2.339
 OR { 9359}
     (segid "    " and resid "157 " and name "HN  ")
     (segid "    " and resid "157 " and name "HG2 ")
 ASSI { 9366}
     (segid "    " and resid "158 " and name "HN  ")
     (segid "    " and resid "155 " and name "HA  ")
      5.000     5.000     0.000 peak  9366 weight  0.10000E+01 volume  0.35600E+00 ppm1      8.301 ppm2      4.487
 ASSI { 9368}
     (segid "    " and resid "158 " and name "HN  ")
     (segid "    " and resid "157 " and name "HA  ")
      6.000     6.000     0.000 peak  9368 weight  0.10000E+01 volume  0.23800E+00 ppm1      8.300 ppm2      3.728
 ASSI { 9369}
     (segid "    " and resid "158 " and name "HN  ")
     (segid "    " and resid "157 " and name "HB2 ")
      5.000     5.000     0.000 peak  9369 weight  0.10000E+01 volume  0.11300E+01 ppm1      8.306 ppm2      2.165
 ASSI { 9371}
     (segid "    " and resid "158 " and name "HN  ")
     (segid "    " and resid "158 " and name "HA  ")
      5.000     5.000     0.000 peak  9371 weight  0.10000E+01 volume  0.11900E+01 ppm1      8.302 ppm2      4.348
 ASSI { 9372}
     (segid "    " and resid "158 " and name "HN  ")
     (segid "    " and resid "158 " and name "HB1 ")
      3.300     3.300     0.000 peak  9372 weight  0.10000E+01 volume  0.16160E+01 ppm1      8.303 ppm2      2.796
 ASSI { 9373}
     (segid "    " and resid "158 " and name "HN  ")
     (segid "    " and resid "158 " and name "HB2 ")
      5.000     5.000     0.000 peak  9373 weight  0.10000E+01 volume  0.12710E+01 ppm1      8.300 ppm2      2.675
 ASSI { 9374}
     (segid "    " and resid "158 " and name "HN  ")
     (segid "    " and resid "159 " and name "HN  ")
      5.000     5.000     0.000 peak  9374 weight  0.10000E+01 volume  0.88600E+00 ppm1      8.299 ppm2      7.375
 ASSI { 9377}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "156 " and name "HA  ")
      5.000     5.000     0.000 peak  9377 weight  0.10000E+01 volume  0.53100E+00 ppm1      7.385 ppm2      4.155
 ASSI { 9378}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "158 " and name "HB1 ")
      5.000     5.000     0.000 peak  9378 weight  0.10000E+01 volume  0.68900E+00 ppm1      7.386 ppm2      2.793
 ASSI { 9379}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "158 " and name "HB2 ")
      5.000     5.000     0.000 peak  9379 weight  0.10000E+01 volume  0.60200E+00 ppm1      7.372 ppm2      2.687
 ASSI { 9381}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "159 " and name "HA  ")
      5.000     5.000     0.000 peak  9381 weight  0.10000E+01 volume  0.10030E+01 ppm1      7.377 ppm2      3.764
 ASSI { 9382}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "159 " and name "HB  ")
      3.300     3.300     0.000 peak  9382 weight  0.10000E+01 volume  0.29120E+01 ppm1      7.380 ppm2      1.864
 ASSI { 9383}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "159 " and name "HD12")
      3.300     3.300     0.000 peak  9383 weight  0.10000E+01 volume  0.17060E+01 ppm1      7.380 ppm2      0.920
 OR { 9383}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "159 " and name "HD13")
 OR { 9383}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "159 " and name "HD11")
 ASSI { 9384}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "159 " and name "HG11")
      3.300     3.300     0.000 peak  9384 weight  0.10000E+01 volume  0.25050E+01 ppm1      7.377 ppm2      1.940
 ASSI { 9385}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "159 " and name "HG12")
      5.000     5.000     0.000 peak  9385 weight  0.10000E+01 volume  0.81600E+00 ppm1      7.379 ppm2      1.143
 ASSI { 9386}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "159 " and name "HG23")
      3.300     3.300     0.000 peak  9386 weight  0.10000E+01 volume  0.15650E+01 ppm1      7.380 ppm2      0.898
 OR { 9386}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "159 " and name "HG22")
 OR { 9386}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "159 " and name "HG21")
 ASSI { 9387}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "160 " and name "HN  ")
      5.000     5.000     0.000 peak  9387 weight  0.10000E+01 volume  0.77900E+00 ppm1      7.380 ppm2      7.951
 ASSI { 9389}
     (segid "    " and resid "160 " and name "HN  ")
     (segid "    " and resid "160 " and name "HA  ")
      5.000     5.000     0.000 peak  9389 weight  0.10000E+01 volume  0.11800E+01 ppm1      7.941 ppm2      3.882
 ASSI { 9390}
     (segid "    " and resid "160 " and name "HN  ")
     (segid "    " and resid "160 " and name "HD13")
      5.000     5.000     0.000 peak  9390 weight  0.10000E+01 volume  0.62400E+00 ppm1      7.941 ppm2      0.626
 OR { 9390}
     (segid "    " and resid "160 " and name "HN  ")
     (segid "    " and resid "160 " and name "HD11")
 OR { 9390}
     (segid "    " and resid "160 " and name "HN  ")
     (segid "    " and resid "160 " and name "HD12")
 ASSI { 9391}
     (segid "    " and resid "160 " and name "HN  ")
     (segid "    " and resid "160 " and name "HD23")
      5.000     5.000     0.000 peak  9391 weight  0.10000E+01 volume  0.77900E+00 ppm1      7.945 ppm2      0.749
 OR { 9391}
     (segid "    " and resid "160 " and name "HN  ")
     (segid "    " and resid "160 " and name "HD22")
 OR { 9391}
     (segid "    " and resid "160 " and name "HN  ")
     (segid "    " and resid "160 " and name "HD21")
 ASSI { 9392}
     (segid "    " and resid "160 " and name "HN  ")
     (segid "    " and resid "160 " and name "HG  ")
      3.300     3.300     0.000 peak  9392 weight  0.10000E+01 volume  0.28580E+01 ppm1      7.943 ppm2      1.771
 ASSI { 9397}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "158 " and name "HA  ")
      6.000     6.000     0.000 peak  9397 weight  0.10000E+01 volume  0.18200E+00 ppm1      8.767 ppm2      4.353
 ASSI { 9398}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "160 " and name "HA  ")
      5.000     5.000     0.000 peak  9398 weight  0.10000E+01 volume  0.39200E+00 ppm1      8.756 ppm2      3.898
 ASSI { 9399}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "160 " and name "HB1 ")
      5.000     5.000     0.000 peak  9399 weight  0.10000E+01 volume  0.93700E+00 ppm1      8.760 ppm2      1.943
 ASSI { 9400}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "160 " and name "HB2 ")
      5.000     5.000     0.000 peak  9400 weight  0.10000E+01 volume  0.47200E+00 ppm1      8.752 ppm2      1.278
 ASSI { 9401}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "160 " and name "HD11")
      6.000     6.000     0.000 peak  9401 weight  0.10000E+01 volume  0.17300E+00 ppm1      8.763 ppm2      0.634
 OR { 9401}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "160 " and name "HD12")
 OR { 9401}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "160 " and name "HD13")
 ASSI { 9402}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "160 " and name "HD21")
      6.000     6.000     0.000 peak  9402 weight  0.10000E+01 volume  0.21800E+00 ppm1      8.764 ppm2      0.754
 OR { 9402}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "160 " and name "HD22")
 OR { 9402}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "160 " and name "HD23")
 ASSI { 9404}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "161 " and name "HA  ")
      5.000     5.000     0.000 peak  9404 weight  0.10000E+01 volume  0.97700E+00 ppm1      8.760 ppm2      4.021
 ASSI { 9405}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "161 " and name "HB1 ")
      3.300     3.300     0.000 peak  9405 weight  0.10000E+01 volume  0.29650E+01 ppm1      8.757 ppm2      2.201
 ASSI { 9406}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "161 " and name "HB2 ")
      3.300     3.300     0.000 peak  9406 weight  0.10000E+01 volume  0.28680E+01 ppm1      8.756 ppm2      2.124
 ASSI { 9407}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "161 " and name "HG1 ")
      5.000     5.000     0.000 peak  9407 weight  0.10000E+01 volume  0.65500E+00 ppm1      8.758 ppm2      2.530
 ASSI { 9408}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "161 " and name "HG2 ")
      5.000     5.000     0.000 peak  9408 weight  0.10000E+01 volume  0.41200E+00 ppm1      8.760 ppm2      2.372
 ASSI { 9409}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "162 " and name "HN  ")
      5.000     5.000     0.000 peak  9409 weight  0.10000E+01 volume  0.72900E+00 ppm1      8.757 ppm2      7.580
 ASSI { 9415}
     (segid "    " and resid "161 " and name "HE21")
     (segid "    " and resid "161 " and name "HG1 ")
      6.000     6.000     0.000 peak  9415 weight  0.10000E+01 volume  0.18700E+00 ppm1      7.190 ppm2      2.527
 ASSI { 9416}
     (segid "    " and resid "161 " and name "HE21")
     (segid "    " and resid "161 " and name "HG2 ")
      6.000     6.000     0.000 peak  9416 weight  0.10000E+01 volume  0.15900E+00 ppm1      7.185 ppm2      2.377
 ASSI { 9418}
     (segid "    " and resid "162 " and name "HN  ")
     (segid "    " and resid "162 " and name "HA1 ")
      3.300     3.300     0.000 peak  9418 weight  0.10000E+01 volume -0.27270E+01 ppm1      7.581 ppm2      3.951
 ASSI { 9419}
     (segid "    " and resid "162 " and name "HN  ")
     (segid "    " and resid "163 " and name "HN  ")
      2.700     2.700     0.000 peak  9419 weight  0.10000E+01 volume -0.44930E+01 ppm1      7.581 ppm2      7.482
 ASSI { 9422}
     (segid "    " and resid "163 " and name "HN  ")
     (segid "    " and resid "162 " and name "HA1 ")
      5.000     5.000     0.000 peak  9422 weight  0.10000E+01 volume  0.38300E+00 ppm1      7.472 ppm2      3.961
 ASSI { 9423}
     (segid "    " and resid "163 " and name "HN  ")
     (segid "    " and resid "162 " and name "HA2 ")
      5.000     5.000     0.000 peak  9423 weight  0.10000E+01 volume  0.41900E+00 ppm1      7.478 ppm2      3.812
 ASSI { 9424}
     (segid "    " and resid "163 " and name "HN  ")
     (segid "    " and resid "163 " and name "HA  ")
      5.000     5.000     0.000 peak  9424 weight  0.10000E+01 volume  0.31600E+00 ppm1      7.473 ppm2      4.620
 ASSI { 9425}
     (segid "    " and resid "163 " and name "HN  ")
     (segid "    " and resid "163 " and name "HB1 ")
      5.000     5.000     0.000 peak  9425 weight  0.10000E+01 volume  0.42900E+00 ppm1      7.475 ppm2      3.265
 ASSI { 9426}
     (segid "    " and resid "163 " and name "HN  ")
     (segid "    " and resid "163 " and name "HB2 ")
      5.000     5.000     0.000 peak  9426 weight  0.10000E+01 volume  0.10770E+01 ppm1      7.474 ppm2      2.722
 ASSI { 9427}
     (segid "    " and resid "163 " and name "HN  ")
     (segid "    " and resid "163 " and name "HD2 ")
      6.000     6.000     0.000 peak  9427 weight  0.10000E+01 volume  0.20100E+00 ppm1      7.481 ppm2      7.006
 ASSI { 9429}
     (segid "    " and resid "164 " and name "HN  ")
     (segid "    " and resid "161 " and name "HA  ")
      5.000     5.000     0.000 peak  9429 weight  0.10000E+01 volume  0.32200E+00 ppm1      7.601 ppm2      4.017
 ASSI { 9430}
     (segid "    " and resid "164 " and name "HN  ")
     (segid "    " and resid "163 " and name "HA  ")
      6.000     6.000     0.000 peak  9430 weight  0.10000E+01 volume  0.23000E+00 ppm1      7.604 ppm2      4.636
 ASSI { 9431}
     (segid "    " and resid "164 " and name "HN  ")
     (segid "    " and resid "163 " and name "HN  ")
      5.000     5.000     0.000 peak  9431 weight  0.10000E+01 volume  0.14240E+01 ppm1      7.600 ppm2      7.463
 ASSI { 9432}
     (segid "    " and resid "164 " and name "HN  ")
     (segid "    " and resid "164 " and name "HA  ")
      5.000     5.000     0.000 peak  9432 weight  0.10000E+01 volume  0.66300E+00 ppm1      7.599 ppm2      4.502
 ASSI { 9433}
     (segid "    " and resid "164 " and name "HN  ")
     (segid "    " and resid "164 " and name "HB1 ")
      5.000     5.000     0.000 peak  9433 weight  0.10000E+01 volume  0.95800E+00 ppm1      7.599 ppm2      2.301
 ASSI { 9434}
     (segid "    " and resid "164 " and name "HN  ")
     (segid "    " and resid "164 " and name "HB2 ")
      5.000     5.000     0.000 peak  9434 weight  0.10000E+01 volume  0.11000E+01 ppm1      7.600 ppm2      1.945
 ASSI { 9435}
     (segid "    " and resid "164 " and name "HN  ")
     (segid "    " and resid "164 " and name "HG1 ")
      5.000     5.000     0.000 peak  9435 weight  0.10000E+01 volume  0.89700E+00 ppm1      7.604 ppm2      2.713
 ASSI { 9436}
     (segid "    " and resid "164 " and name "HN  ")
     (segid "    " and resid "164 " and name "HG2 ")
      5.000     5.000     0.000 peak  9436 weight  0.10000E+01 volume  0.90600E+00 ppm1      7.601 ppm2      2.354
 ASSI { 9438}
     (segid "    " and resid "166 " and name "HN  ")
     (segid "    " and resid "165 " and name "HA  ")
      3.300     3.300     0.000 peak  9438 weight  0.10000E+01 volume  0.16860E+01 ppm1      8.104 ppm2      4.493
 ASSI { 9439}
     (segid "    " and resid "166 " and name "HN  ")
     (segid "    " and resid "165 " and name "HB2 ")
      5.000     5.000     0.000 peak  9439 weight  0.10000E+01 volume  0.30200E+00 ppm1      8.110 ppm2      2.103
 OR { 9439}
     (segid "    " and resid "166 " and name "HN  ")
     (segid "    " and resid "165 " and name "HB1 ")
 ASSI { 9440}
     (segid "    " and resid "166 " and name "HN  ")
     (segid "    " and resid "166 " and name "HA  ")
      3.300     3.300     0.000 peak  9440 weight  0.10000E+01 volume  0.16990E+01 ppm1      8.102 ppm2      4.532
 ASSI { 9441}
     (segid "    " and resid "166 " and name "HN  ")
     (segid "    " and resid "166 " and name "HB  ")
      5.000     5.000     0.000 peak  9441 weight  0.10000E+01 volume  0.62400E+00 ppm1      8.101 ppm2      1.915
 ASSI { 9442}
     (segid "    " and resid "166 " and name "HN  ")
     (segid "    " and resid "166 " and name "HG11")
      6.000     6.000     0.000 peak  9442 weight  0.10000E+01 volume  0.20500E+00 ppm1      8.109 ppm2      1.552
 ASSI { 9444}
     (segid "    " and resid "168 " and name "HN  ")
     (segid "    " and resid "167 " and name "HA  ")
      3.300     3.300     0.000 peak  9444 weight  0.10000E+01 volume  0.29170E+01 ppm1      7.957 ppm2      4.454
 ASSI { 9445}
     (segid "    " and resid "168 " and name "HN  ")
     (segid "    " and resid "168 " and name "HA  ")
      5.000     5.000     0.000 peak  9445 weight  0.10000E+01 volume  0.35300E+00 ppm1      7.955 ppm2      4.298
 ASSI { 9446}
     (segid "    " and resid "168 " and name "HN  ")
     (segid "    " and resid "168 " and name "HB2 ")
      5.000     5.000     0.000 peak  9446 weight  0.10000E+01 volume  0.44000E+00 ppm1      7.958 ppm2      1.970
 ASSI { 1087}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "9   " and name "HN  ")
      7.000     7.000     0.000 peak  1087 weight  0.10000E+01 volume  0.39000E-01 ppm1      8.312 ppm2      8.581
 ASSI { 1092}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "13  " and name "HN  ")
      7.000     7.000     0.000 peak  1092 weight  0.10000E+01 volume  0.11900E+00 ppm1      8.073 ppm2      7.992
 ASSI { 1093}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "14  " and name "HN  ")
      7.000     7.000     0.000 peak  1093 weight  0.10000E+01 volume  0.17000E+00 ppm1      8.072 ppm2      8.351
 ASSI { 1094}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "42  " and name "HN  ")
      7.000     7.000     0.000 peak  1094 weight  0.10000E+01 volume  0.60000E-01 ppm1      8.057 ppm2      9.857
 ASSI { 1096}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "14  " and name "HN  ")
      7.000     7.000     0.000 peak  1096 weight  0.10000E+01 volume  0.23000E+00 ppm1      7.995 ppm2      8.348
 ASSI { 1099}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "15  " and name "HN  ")
      5.000     5.000     0.000 peak  1099 weight  0.10000E+01 volume  0.21650E+01 ppm1      8.341 ppm2      8.247
 ASSI { 1100}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "16  " and name "HN  ")
      5.000     5.000     0.000 peak  1100 weight  0.10000E+01 volume  0.52400E+00 ppm1      8.341 ppm2      8.339
 ASSI { 1101}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "17  " and name "HN  ")
      5.000     5.000     0.000 peak  1101 weight  0.10000E+01 volume  0.33500E+00 ppm1      8.348 ppm2      7.619
 ASSI { 1105}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "17  " and name "HN  ")
      7.000     7.000     0.000 peak  1105 weight  0.10000E+01 volume  0.20300E+00 ppm1      8.244 ppm2      7.616
 ASSI { 1106}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "18  " and name "HN  ")
      7.000     7.000     0.000 peak  1106 weight  0.10000E+01 volume  0.12400E+00 ppm1      8.243 ppm2      8.357
 ASSI { 1107}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "47  " and name "HN  ")
      7.000     7.000     0.000 peak  1107 weight  0.10000E+01 volume  0.29000E-01 ppm1      8.220 ppm2     10.259
 ASSI { 1111}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "18  " and name "HN  ")
      5.000     5.000     0.000 peak  1111 weight  0.10000E+01 volume  0.44400E+00 ppm1      8.339 ppm2      8.356
 ASSI { 1112}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "19  " and name "HN  ")
      7.000     7.000     0.000 peak  1112 weight  0.10000E+01 volume  0.16600E+00 ppm1      8.326 ppm2      8.969
 ASSI { 1117}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "19  " and name "HN  ")
      5.000     5.000     0.000 peak  1117 weight  0.10000E+01 volume  0.49600E+00 ppm1      7.616 ppm2      8.965
 ASSI { 1118}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "20  " and name "HN  ")
      7.000     7.000     0.000 peak  1118 weight  0.10000E+01 volume  0.10500E+00 ppm1      7.618 ppm2      7.413
 ASSI { 1123}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "20  " and name "HN  ")
      5.000     5.000     0.000 peak  1123 weight  0.10000E+01 volume  0.37400E+00 ppm1      8.351 ppm2      7.413
 ASSI { 1124}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "21  " and name "HN  ")
      7.000     7.000     0.000 peak  1124 weight  0.10000E+01 volume  0.14000E+00 ppm1      8.357 ppm2      7.900
 ASSI { 1125}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "52  " and name "HN  ")
      7.000     7.000     0.000 peak  1125 weight  0.10000E+01 volume  0.81000E-01 ppm1      8.366 ppm2      7.139
 ASSI { 1130}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "21  " and name "HN  ")
      5.000     5.000     0.000 peak  1130 weight  0.10000E+01 volume  0.44800E+00 ppm1      8.970 ppm2      7.900
 ASSI { 1131}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "22  " and name "HN  ")
      7.000     7.000     0.000 peak  1131 weight  0.10000E+01 volume  0.12000E+00 ppm1      8.977 ppm2      8.160
 ASSI { 1132}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "52  " and name "HN  ")
      7.000     7.000     0.000 peak  1132 weight  0.10000E+01 volume  0.11900E+00 ppm1      8.960 ppm2      7.143
 ASSI { 1137}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "22  " and name "HN  ")
      5.000     5.000     0.000 peak  1137 weight  0.10000E+01 volume  0.89400E+00 ppm1      7.410 ppm2      8.154
 ASSI { 1138}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "52  " and name "HN  ")
      7.000     7.000     0.000 peak  1138 weight  0.10000E+01 volume  0.19600E+00 ppm1      7.413 ppm2      7.145
 ASSI { 1143}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "52  " and name "HN  ")
      5.000     5.000     0.000 peak  1143 weight  0.10000E+01 volume  0.49600E+00 ppm1      7.900 ppm2      7.138
 ASSI { 1147}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "23  " and name "HN  ")
      5.000     5.000     0.000 peak  1147 weight  0.10000E+01 volume  0.40400E+00 ppm1      8.158 ppm2      7.866
 ASSI { 1148}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "24  " and name "HN  ")
      5.000     5.000     0.000 peak  1148 weight  0.10000E+01 volume  0.58000E+00 ppm1      8.149 ppm2      8.438
 ASSI { 1149}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "25  " and name "HN  ")
      5.000     5.000     0.000 peak  1149 weight  0.10000E+01 volume  0.15000E+01 ppm1      8.135 ppm2      7.750
 ASSI { 1150}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "52  " and name "HN  ")
      7.000     7.000     0.000 peak  1150 weight  0.10000E+01 volume  0.12000E+00 ppm1      8.154 ppm2      7.137
 ASSI { 1153}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "25  " and name "HN  ")
      5.000     5.000     0.000 peak  1153 weight  0.10000E+01 volume  0.61900E+00 ppm1      7.871 ppm2      7.751
 ASSI { 1154}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "26  " and name "HN  ")
      5.000     5.000     0.000 peak  1154 weight  0.10000E+01 volume  0.48600E+00 ppm1      7.871 ppm2      8.139
 ASSI { 1158}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "26  " and name "HN  ")
      5.000     5.000     0.000 peak  1158 weight  0.10000E+01 volume  0.63500E+00 ppm1      8.439 ppm2      8.122
 ASSI { 1163}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "27  " and name "HN  ")
      5.000     5.000     0.000 peak  1163 weight  0.10000E+01 volume  0.39400E+00 ppm1      7.754 ppm2      8.399
 ASSI { 1164}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "28  " and name "HN  ")
      5.000     5.000     0.000 peak  1164 weight  0.10000E+01 volume  0.21720E+01 ppm1      7.752 ppm2      8.130
 ASSI { 1168}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "27  " and name "HN  ")
      3.000     3.000     0.000 peak  1168 weight  0.10000E+01 volume  0.39200E+01 ppm1      8.113 ppm2      8.404
 ASSI { 1172}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "28  " and name "HN  ")
      3.000     3.000     0.000 peak  1172 weight  0.10000E+01 volume  0.42560E+01 ppm1      8.397 ppm2      8.131
 ASSI { 1176}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "30  " and name "HN  ")
      5.000     5.000     0.000 peak  1176 weight  0.10000E+01 volume  0.43300E+00 ppm1      8.132 ppm2      8.141
 ASSI { 1177}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "31  " and name "HN  ")
      7.000     7.000     0.000 peak  1177 weight  0.10000E+01 volume  0.12000E+00 ppm1      8.140 ppm2      8.744
 ASSI { 1181}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "31  " and name "HN  ")
      7.000     7.000     0.000 peak  1181 weight  0.10000E+01 volume  0.25800E+00 ppm1      8.576 ppm2      8.744
 ASSI { 1182}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "32  " and name "HN  ")
      5.000     5.000     0.000 peak  1182 weight  0.10000E+01 volume  0.55000E+00 ppm1      8.578 ppm2      8.403
 ASSI { 1183}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "33  " and name "HN  ")
      5.000     5.000     0.000 peak  1183 weight  0.10000E+01 volume  0.43500E+00 ppm1      8.580 ppm2      7.556
 ASSI { 1188}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "32  " and name "HN  ")
      5.000     5.000     0.000 peak  1188 weight  0.10000E+01 volume  0.50200E+00 ppm1      8.141 ppm2      8.403
 ASSI { 1189}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "33  " and name "HN  ")
      7.000     7.000     0.000 peak  1189 weight  0.10000E+01 volume  0.24700E+00 ppm1      8.136 ppm2      7.549
 ASSI { 1194}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "33  " and name "HN  ")
      5.000     5.000     0.000 peak  1194 weight  0.10000E+01 volume  0.60200E+00 ppm1      8.743 ppm2      7.556
 ASSI { 1195}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "34  " and name "HN  ")
      7.000     7.000     0.000 peak  1195 weight  0.10000E+01 volume  0.14000E+00 ppm1      8.743 ppm2      6.805
 ASSI { 1200}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "34  " and name "HN  ")
      5.000     5.000     0.000 peak  1200 weight  0.10000E+01 volume  0.48100E+00 ppm1      8.403 ppm2      6.805
 ASSI { 1213}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "32  " and name "HN  ")
      5.000     5.000     0.000 peak  1213 weight  0.10000E+01 volume  0.30200E+00 ppm1      7.973 ppm2      8.404
 ASSI { 1215}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "36  " and name "HN  ")
      7.000     7.000     0.000 peak  1215 weight  0.10000E+01 volume -0.19100E+00 ppm1      7.966 ppm2      8.798
 ASSI { 1217}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "38  " and name "HN  ")
      7.000     7.000     0.000 peak  1217 weight  0.10000E+01 volume -0.52000E-01 ppm1      8.794 ppm2     10.205
 ASSI { 1218}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "39  " and name "HN  ")
      7.000     7.000     0.000 peak  1218 weight  0.10000E+01 volume -0.15000E+00 ppm1      8.797 ppm2      7.869
 ASSI { 1220}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "40  " and name "HN  ")
      7.000     7.000     0.000 peak  1220 weight  0.10000E+01 volume  0.44000E-01 ppm1     10.209 ppm2      8.297
 ASSI { 1223}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "40  " and name "HN  ")
      7.000     7.000     0.000 peak  1223 weight  0.10000E+01 volume  0.20400E+00 ppm1      7.859 ppm2      8.298
 ASSI { 1229}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HD21")
      7.000     7.000     0.000 peak  1229 weight  0.10000E+01 volume  0.14900E+00 ppm1      8.836 ppm2      7.932
 ASSI { 1230}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HD22")
      7.000     7.000     0.000 peak  1230 weight  0.10000E+01 volume  0.17300E+00 ppm1      8.840 ppm2      5.884
 ASSI { 1231}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "42  " and name "HN  ")
      7.000     7.000     0.000 peak  1231 weight  0.10000E+01 volume  0.18200E+00 ppm1      8.848 ppm2      9.844
 ASSI { 1232}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "43  " and name "HN  ")
      5.000     5.000     0.000 peak  1232 weight  0.10000E+01 volume  0.35400E+00 ppm1      8.848 ppm2      7.931
 ASSI { 1233}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "44  " and name "HN  ")
      5.000     5.000     0.000 peak  1233 weight  0.10000E+01 volume  0.45000E+00 ppm1      8.847 ppm2      8.487
 ASSI { 1234}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "46  " and name "HN  ")
      7.000     7.000     0.000 peak  1234 weight  0.10000E+01 volume  0.11700E+00 ppm1      8.844 ppm2      9.219
 ASSI { 1238}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "44  " and name "HN  ")
      5.000     5.000     0.000 peak  1238 weight  0.10000E+01 volume  0.45900E+00 ppm1      9.844 ppm2      8.487
 ASSI { 1239}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "45  " and name "HN  ")
      7.000     7.000     0.000 peak  1239 weight  0.10000E+01 volume  0.15500E+00 ppm1      9.847 ppm2      7.451
 ASSI { 1240}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "41  " and name "HD22")
      7.000     7.000     0.000 peak  1240 weight  0.10000E+01 volume  0.88000E-01 ppm1      7.909 ppm2      5.884
 ASSI { 1250}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "41  " and name "HD21")
      7.000     7.000     0.000 peak  1250 weight  0.10000E+01 volume  0.96000E-01 ppm1      7.441 ppm2      7.932
 ASSI { 1251}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "41  " and name "HD22")
      7.000     7.000     0.000 peak  1251 weight  0.10000E+01 volume  0.99000E-01 ppm1      7.444 ppm2      5.884
 ASSI { 1255}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "46  " and name "HN  ")
      7.000     7.000     0.000 peak  1255 weight  0.10000E+01 volume  0.12600E+00 ppm1      7.451 ppm2      9.206
 ASSI { 1258}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "47  " and name "HN  ")
      7.000     7.000     0.000 peak  1258 weight  0.10000E+01 volume  0.86000E-01 ppm1      9.216 ppm2     10.254
 ASSI { 1259}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "48  " and name "HN  ")
      7.000     7.000     0.000 peak  1259 weight  0.10000E+01 volume  0.12300E+00 ppm1      9.219 ppm2      8.373
 ASSI { 1261}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "50  " and name "HN  ")
      7.000     7.000     0.000 peak  1261 weight  0.10000E+01 volume  0.45000E-01 ppm1      9.218 ppm2      7.156
 ASSI { 1263}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "48  " and name "HN  ")
      5.000     5.000     0.000 peak  1263 weight  0.10000E+01 volume  0.67600E+00 ppm1     10.252 ppm2      8.373
 ASSI { 1264}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "49  " and name "HN  ")
      7.000     7.000     0.000 peak  1264 weight  0.10000E+01 volume  0.13200E+00 ppm1     10.255 ppm2      7.377
 ASSI { 1269}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "51  " and name "HN  ")
      7.000     7.000     0.000 peak  1269 weight  0.10000E+01 volume  0.10800E+00 ppm1      8.365 ppm2      6.843
 ASSI { 1270}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "46  " and name "HN  ")
      5.000     5.000     0.000 peak  1270 weight  0.10000E+01 volume  0.33000E+00 ppm1      7.376 ppm2      9.220
 ASSI { 1274}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "51  " and name "HN  ")
      5.000     5.000     0.000 peak  1274 weight  0.10000E+01 volume  0.61000E+00 ppm1      7.378 ppm2      6.843
 ASSI { 1275}
     (segid "    " and resid "49  " and name "HE21")
     (segid "    " and resid "72  " and name "HN  ")
      7.000     7.000     0.000 peak  1275 weight  0.10000E+01 volume  0.98000E-01 ppm1      8.448 ppm2      8.198
 ASSI { 1276}
     (segid "    " and resid "49  " and name "HE22")
     (segid "    " and resid "72  " and name "HN  ")
      7.000     7.000     0.000 peak  1276 weight  0.10000E+01 volume  0.84000E-01 ppm1      6.122 ppm2      8.198
 ASSI { 1281}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "48  " and name "HN  ")
      5.000     5.000     0.000 peak  1281 weight  0.10000E+01 volume  0.37700E+00 ppm1      7.180 ppm2      8.366
 ASSI { 1287}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "52  " and name "HN  ")
      7.000     7.000     0.000 peak  1287 weight  0.10000E+01 volume  0.15500E+00 ppm1      6.843 ppm2      7.139
 ASSI { 1295}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "53  " and name "HN  ")
      7.000     7.000     0.000 peak  1295 weight  0.10000E+01 volume -0.29800E+00 ppm1      7.143 ppm2      8.284
 ASSI { 1297}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "54  " and name "HN  ")
      5.000     5.000     0.000 peak  1297 weight  0.10000E+01 volume  0.33300E+00 ppm1      8.295 ppm2      7.871
 ASSI { 1298}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "55  " and name "HN  ")
      7.000     7.000     0.000 peak  1298 weight  0.10000E+01 volume -0.13300E+00 ppm1      8.294 ppm2      7.488
 ASSI { 1306}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "60  " and name "HN  ")
      7.000     7.000     0.000 peak  1306 weight  0.10000E+01 volume  0.53000E-01 ppm1      8.044 ppm2      8.401
 ASSI { 1310}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "60  " and name "HN  ")
      5.000     5.000     0.000 peak  1310 weight  0.10000E+01 volume  0.39600E+00 ppm1      7.801 ppm2      8.382
 ASSI { 1311}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "61  " and name "HN  ")
      7.000     7.000     0.000 peak  1311 weight  0.10000E+01 volume  0.73000E-01 ppm1      7.805 ppm2      7.634
 ASSI { 1312}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "57  " and name "HN  ")
      5.000     5.000     0.000 peak  1312 weight  0.10000E+01 volume  0.52200E+00 ppm1      7.073 ppm2      8.037
 ASSI { 1316}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "62  " and name "HN  ")
      7.000     7.000     0.000 peak  1316 weight  0.10000E+01 volume  0.76000E-01 ppm1      7.066 ppm2      7.493
 ASSI { 1321}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "62  " and name "HN  ")
      5.000     5.000     0.000 peak  1321 weight  0.10000E+01 volume  0.81400E+00 ppm1      8.382 ppm2      7.512
 ASSI { 1322}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "63  " and name "HN  ")
      5.000     5.000     0.000 peak  1322 weight  0.10000E+01 volume  0.56200E+00 ppm1      8.388 ppm2      8.587
 ASSI { 1324}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "59  " and name "HN  ")
      5.000     5.000     0.000 peak  1324 weight  0.10000E+01 volume  0.31900E+00 ppm1      7.632 ppm2      7.062
 ASSI { 1327}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "63  " and name "HN  ")
      5.000     5.000     0.000 peak  1327 weight  0.10000E+01 volume  0.33500E+00 ppm1      7.632 ppm2      8.586
 ASSI { 1328}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "64  " and name "HN  ")
      7.000     7.000     0.000 peak  1328 weight  0.10000E+01 volume  0.11400E+00 ppm1      7.629 ppm2      8.951
 ASSI { 1333}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "64  " and name "HN  ")
      5.000     5.000     0.000 peak  1333 weight  0.10000E+01 volume  0.31200E+00 ppm1      7.499 ppm2      8.951
 ASSI { 1334}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "65  " and name "HN  ")
      7.000     7.000     0.000 peak  1334 weight  0.10000E+01 volume  0.10700E+00 ppm1      7.505 ppm2      6.995
 ASSI { 1341}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "65  " and name "HN  ")
      5.000     5.000     0.000 peak  1341 weight  0.10000E+01 volume  0.40200E+00 ppm1      8.594 ppm2      6.995
 ASSI { 1346}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "66  " and name "HN  ")
      5.000     5.000     0.000 peak  1346 weight  0.10000E+01 volume -0.46900E+00 ppm1      8.950 ppm2      7.597
 ASSI { 1347}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "67  " and name "HN  ")
      7.000     7.000     0.000 peak  1347 weight  0.10000E+01 volume  0.28700E+00 ppm1      8.950 ppm2      8.019
 ASSI { 1352}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "67  " and name "HN  ")
      5.000     5.000     0.000 peak  1352 weight  0.10000E+01 volume  0.10370E+01 ppm1      6.994 ppm2      8.019
 ASSI { 1355}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "67  " and name "HN  ")
      3.000     3.000     0.000 peak  1355 weight  0.10000E+01 volume -0.32290E+01 ppm1      7.597 ppm2      8.021
 ASSI { 1363}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HD22")
      7.000     7.000     0.000 peak  1363 weight  0.10000E+01 volume  0.24000E+00 ppm1      7.993 ppm2      6.886
 ASSI { 1365}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "101 " and name "HN  ")
      7.000     7.000     0.000 peak  1365 weight  0.10000E+01 volume  0.78000E-01 ppm1      8.000 ppm2      8.969
 ASSI { 1366}
     (segid "    " and resid "70  " and name "HD22")
     (segid "    " and resid "101 " and name "HN  ")
      5.000     5.000     0.000 peak  1366 weight  0.10000E+01 volume  0.49900E+00 ppm1      6.887 ppm2      8.963
 ASSI { 1374}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "73  " and name "HN  ")
      7.000     7.000     0.000 peak  1374 weight  0.10000E+01 volume  0.26500E+00 ppm1      8.200 ppm2      7.980
 ASSI { 1375}
     (segid "    " and resid "72  " and name "HE21")
     (segid "    " and resid "105 " and name "HN  ")
      7.000     7.000     0.000 peak  1375 weight  0.10000E+01 volume  0.15100E+00 ppm1      7.796 ppm2      8.193
 ASSI { 1376}
     (segid "    " and resid "72  " and name "HE22")
     (segid "    " and resid "105 " and name "HN  ")
      7.000     7.000     0.000 peak  1376 weight  0.10000E+01 volume  0.95000E-01 ppm1      6.724 ppm2      8.193
 ASSI { 1378}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "49  " and name "HE21")
      5.000     5.000     0.000 peak  1378 weight  0.10000E+01 volume  0.37200E+00 ppm1      7.990 ppm2      8.456
 ASSI { 1379}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "49  " and name "HE22")
      5.000     5.000     0.000 peak  1379 weight  0.10000E+01 volume  0.32400E+00 ppm1      7.987 ppm2      6.117
 ASSI { 1381}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "75  " and name "HN  ")
      7.000     7.000     0.000 peak  1381 weight  0.10000E+01 volume  0.21800E+00 ppm1      7.990 ppm2      8.355
 ASSI { 1382}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "76  " and name "HN  ")
      5.000     5.000     0.000 peak  1382 weight  0.10000E+01 volume  0.60300E+00 ppm1      7.991 ppm2      8.361
 ASSI { 1384}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "78  " and name "HN  ")
      7.000     7.000     0.000 peak  1384 weight  0.10000E+01 volume -0.52000E-01 ppm1      7.982 ppm2     10.181
 ASSI { 1386}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "76  " and name "HN  ")
      5.000     5.000     0.000 peak  1386 weight  0.10000E+01 volume  0.15000E+01 ppm1      8.355 ppm2      8.363
 ASSI { 1391}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "73  " and name "HN  ")
      3.000     3.000     0.000 peak  1391 weight  0.10000E+01 volume  0.31220E+01 ppm1      8.148 ppm2      7.992
 ASSI { 1394}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "78  " and name "HN  ")
      7.000     7.000     0.000 peak  1394 weight  0.10000E+01 volume -0.10100E+00 ppm1      8.164 ppm2     10.194
 ASSI { 1397}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "80  " and name "HN  ")
      7.000     7.000     0.000 peak  1397 weight  0.10000E+01 volume -0.14200E+00 ppm1     10.179 ppm2      8.470
 ASSI { 1398}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "81  " and name "HN  ")
      5.000     5.000     0.000 peak  1398 weight  0.10000E+01 volume -0.37400E+00 ppm1     10.187 ppm2      7.711
 ASSI { 1399}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "82  " and name "HN  ")
      7.000     7.000     0.000 peak  1399 weight  0.10000E+01 volume -0.12300E+00 ppm1     10.185 ppm2      7.359
 ASSI { 1402}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "82  " and name "HN  ")
      5.000     5.000     0.000 peak  1402 weight  0.10000E+01 volume  0.34200E+00 ppm1      8.466 ppm2      7.377
 ASSI { 1403}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "83  " and name "HN  ")
      7.000     7.000     0.000 peak  1403 weight  0.10000E+01 volume  0.38000E-01 ppm1      8.472 ppm2      8.758
 ASSI { 1409}
     (segid "    " and resid "81  " and name "HE2 ")
     (segid "    " and resid "105 " and name "HN  ")
      7.000     7.000     0.000 peak  1409 weight  0.10000E+01 volume -0.11200E+00 ppm1     11.096 ppm2      8.218
 ASSI { 1411}
     (segid "    " and resid "81  " and name "HE2 ")
     (segid "    " and resid "110 " and name "HN  ")
      7.000     7.000     0.000 peak  1411 weight  0.10000E+01 volume -0.12800E+00 ppm1     11.098 ppm2      7.998
 ASSI { 1417}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "84  " and name "HN  ")
      5.000     5.000     0.000 peak  1417 weight  0.10000E+01 volume  0.31800E+00 ppm1      7.382 ppm2      7.848
 ASSI { 1418}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "85  " and name "HN  ")
      7.000     7.000     0.000 peak  1418 weight  0.10000E+01 volume  0.10000E+00 ppm1      7.376 ppm2      8.632
 ASSI { 1422}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "81  " and name "HN  ")
      5.000     5.000     0.000 peak  1422 weight  0.10000E+01 volume  0.42200E+00 ppm1      8.753 ppm2      7.722
 ASSI { 1425}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "85  " and name "HN  ")
      5.000     5.000     0.000 peak  1425 weight  0.10000E+01 volume  0.38600E+00 ppm1      8.759 ppm2      8.637
 ASSI { 1427}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "81  " and name "HN  ")
      5.000     5.000     0.000 peak  1427 weight  0.10000E+01 volume  0.44700E+00 ppm1      7.854 ppm2      7.726
 ASSI { 1431}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "86  " and name "HN  ")
      5.000     5.000     0.000 peak  1431 weight  0.10000E+01 volume -0.38900E+00 ppm1      7.845 ppm2      7.652
 ASSI { 1432}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "87  " and name "HN  ")
      7.000     7.000     0.000 peak  1432 weight  0.10000E+01 volume  0.11600E+00 ppm1      7.848 ppm2      7.093
 ASSI { 1433}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "88  " and name "HN  ")
      7.000     7.000     0.000 peak  1433 weight  0.10000E+01 volume  0.10900E+00 ppm1      7.853 ppm2      7.593
 ASSI { 1438}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "87  " and name "HN  ")
      5.000     5.000     0.000 peak  1438 weight  0.10000E+01 volume  0.43200E+00 ppm1      8.634 ppm2      7.085
 ASSI { 1439}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "88  " and name "HN  ")
      7.000     7.000     0.000 peak  1439 weight  0.10000E+01 volume  0.10100E+00 ppm1      8.640 ppm2      7.592
 ASSI { 1443}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "88  " and name "HN  ")
      5.000     5.000     0.000 peak  1443 weight  0.10000E+01 volume -0.32300E+00 ppm1      7.656 ppm2      7.595
 ASSI { 1449}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "89  " and name "HN  ")
      7.000     7.000     0.000 peak  1449 weight  0.10000E+01 volume  0.10100E+00 ppm1      7.085 ppm2      7.694
 ASSI { 1457}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "90  " and name "HN  ")
      5.000     5.000     0.000 peak  1457 weight  0.10000E+01 volume  0.92500E+00 ppm1      7.693 ppm2      8.684
 ASSI { 1458}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "91  " and name "HN  ")
      7.000     7.000     0.000 peak  1458 weight  0.10000E+01 volume  0.18000E+00 ppm1      7.691 ppm2      7.937
 ASSI { 1459}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "92  " and name "HN  ")
      7.000     7.000     0.000 peak  1459 weight  0.10000E+01 volume  0.10000E+00 ppm1      7.696 ppm2      8.039
 ASSI { 1464}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "90  " and name "HN  ")
      3.000     3.000     0.000 peak  1464 weight  0.10000E+01 volume  0.35080E+01 ppm1      7.933 ppm2      8.687
 ASSI { 1466}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "93  " and name "HN  ")
      5.000     5.000     0.000 peak  1466 weight  0.10000E+01 volume  0.72400E+00 ppm1      7.933 ppm2      8.563
 ASSI { 1468}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "90  " and name "HN  ")
      5.000     5.000     0.000 peak  1468 weight  0.10000E+01 volume  0.62900E+00 ppm1      8.035 ppm2      8.686
 ASSI { 1476}
     (segid "    " and resid "93  " and name "HN  ")
     (segid "    " and resid "96  " and name "HN  ")
      7.000     7.000     0.000 peak  1476 weight  0.10000E+01 volume  0.43000E-01 ppm1      8.567 ppm2      8.461
 ASSI { 1477}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "92  " and name "HN  ")
      5.000     5.000     0.000 peak  1477 weight  0.10000E+01 volume  0.38900E+00 ppm1      7.378 ppm2      8.046
 ASSI { 1480}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "96  " and name "HN  ")
      7.000     7.000     0.000 peak  1480 weight  0.10000E+01 volume  0.22600E+00 ppm1      7.378 ppm2      8.452
 ASSI { 1481}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "97  " and name "HN  ")
      7.000     7.000     0.000 peak  1481 weight  0.10000E+01 volume  0.48000E-01 ppm1      7.384 ppm2      8.813
 ASSI { 1484}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "93  " and name "HN  ")
      5.000     5.000     0.000 peak  1484 weight  0.10000E+01 volume  0.34300E+00 ppm1      8.082 ppm2      8.572
 ASSI { 1487}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "97  " and name "HN  ")
      7.000     7.000     0.000 peak  1487 weight  0.10000E+01 volume  0.28200E+00 ppm1      8.073 ppm2      8.802
 ASSI { 1493}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "98  " and name "HN  ")
      5.000     5.000     0.000 peak  1493 weight  0.10000E+01 volume  0.33400E+00 ppm1      8.457 ppm2      7.461
 ASSI { 1494}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "99  " and name "HN  ")
      7.000     7.000     0.000 peak  1494 weight  0.10000E+01 volume -0.12700E+00 ppm1      8.451 ppm2      7.646
 ASSI { 1499}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "99  " and name "HN  ")
      7.000     7.000     0.000 peak  1499 weight  0.10000E+01 volume -0.27700E+00 ppm1      8.804 ppm2      7.636
 ASSI { 1500}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "100 " and name "HN  ")
      7.000     7.000     0.000 peak  1500 weight  0.10000E+01 volume  0.13200E+00 ppm1      8.827 ppm2      8.258
 ASSI { 1504}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "100 " and name "HN  ")
      5.000     5.000     0.000 peak  1504 weight  0.10000E+01 volume  0.40300E+00 ppm1      7.462 ppm2      8.258
 ASSI { 1513}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "70  " and name "HD21")
      5.000     5.000     0.000 peak  1513 weight  0.10000E+01 volume  0.42300E+00 ppm1      8.958 ppm2      7.857
 ASSI { 1519}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "101 " and name "HN  ")
      5.000     5.000     0.000 peak  1519 weight  0.10000E+01 volume  0.32900E+00 ppm1      8.506 ppm2      8.967
 ASSI { 1520}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "103 " and name "HN  ")
      5.000     5.000     0.000 peak  1520 weight  0.10000E+01 volume  0.20640E+01 ppm1      8.517 ppm2      8.544
 ASSI { 1521}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "104 " and name "HN  ")
      5.000     5.000     0.000 peak  1521 weight  0.10000E+01 volume  0.50300E+00 ppm1      8.523 ppm2      6.325
 ASSI { 1533}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "106 " and name "HN  ")
      5.000     5.000     0.000 peak  1533 weight  0.10000E+01 volume  0.34100E+00 ppm1      8.236 ppm2      7.655
 ASSI { 1536}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "107 " and name "HN  ")
      5.000     5.000     0.000 peak  1536 weight  0.10000E+01 volume  0.97600E+00 ppm1      7.658 ppm2      8.188
 ASSI { 1537}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "108 " and name "HN  ")
      5.000     5.000     0.000 peak  1537 weight  0.10000E+01 volume  0.38500E+00 ppm1      7.651 ppm2      8.469
 ASSI { 1538}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "109 " and name "HN  ")
      5.000     5.000     0.000 peak  1538 weight  0.10000E+01 volume  0.76700E+00 ppm1      7.649 ppm2      8.503
 ASSI { 1543}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "109 " and name "HN  ")
      5.000     5.000     0.000 peak  1543 weight  0.10000E+01 volume  0.47000E+00 ppm1      8.192 ppm2      8.503
 ASSI { 1544}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "110 " and name "HN  ")
      7.000     7.000     0.000 peak  1544 weight  0.10000E+01 volume  0.25000E+00 ppm1      8.183 ppm2      7.999
 ASSI { 1547}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "109 " and name "HN  ")
      5.000     5.000     0.000 peak  1547 weight  0.10000E+01 volume  0.19390E+01 ppm1      8.469 ppm2      8.503
 ASSI { 1561}
     (segid "    " and resid "111 " and name "HN  ")
     (segid "    " and resid "114 " and name "HN  ")
      5.000     5.000     0.000 peak  1561 weight  0.10000E+01 volume  0.44100E+00 ppm1      9.449 ppm2      7.664
 ASSI { 1562}
     (segid "    " and resid "111 " and name "HN  ")
     (segid "    " and resid "115 " and name "HN  ")
      7.000     7.000     0.000 peak  1562 weight  0.10000E+01 volume  0.10600E+00 ppm1      9.446 ppm2      7.287
 ASSI { 1565}
     (segid "    " and resid "113 " and name "HN  ")
     (segid "    " and resid "116 " and name "HN  ")
      7.000     7.000     0.000 peak  1565 weight  0.10000E+01 volume  0.43000E-01 ppm1      8.287 ppm2      7.884
 ASSI { 1571}
     (segid "    " and resid "114 " and name "HE2 ")
     (segid "    " and resid "138 " and name "HN  ")
      5.000     5.000     0.000 peak  1571 weight  0.10000E+01 volume  0.95700E+00 ppm1     11.346 ppm2      7.712
 ASSI { 1572}
     (segid "    " and resid "114 " and name "HE2 ")
     (segid "    " and resid "142 " and name "HN  ")
      7.000     7.000     0.000 peak  1572 weight  0.10000E+01 volume  0.16500E+00 ppm1     11.347 ppm2      8.185
 ASSI { 1573}
     (segid "    " and resid "114 " and name "HE2 ")
     (segid "    " and resid "143 " and name "HN  ")
      7.000     7.000     0.000 peak  1573 weight  0.10000E+01 volume  0.10600E+00 ppm1     11.357 ppm2      8.576
 ASSI { 1575}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "113 " and name "HN  ")
      5.000     5.000     0.000 peak  1575 weight  0.10000E+01 volume  0.48800E+00 ppm1      7.295 ppm2      8.284
 ASSI { 1579}
     (segid "    " and resid "115 " and name "HN  ")
     (segid "    " and resid "118 " and name "HN  ")
      7.000     7.000     0.000 peak  1579 weight  0.10000E+01 volume  0.88000E-01 ppm1      7.301 ppm2      8.114
 ASSI { 1581}
     (segid "    " and resid "116 " and name "HN  ")
     (segid "    " and resid "114 " and name "HN  ")
      5.000     5.000     0.000 peak  1581 weight  0.10000E+01 volume  0.45700E+00 ppm1      7.892 ppm2      7.668
 ASSI { 1584}
     (segid "    " and resid "116 " and name "HN  ")
     (segid "    " and resid "118 " and name "HN  ")
      5.000     5.000     0.000 peak  1584 weight  0.10000E+01 volume  0.32100E+00 ppm1      7.887 ppm2      8.109
 ASSI { 1585}
     (segid "    " and resid "116 " and name "HN  ")
     (segid "    " and resid "119 " and name "HN  ")
      5.000     5.000     0.000 peak  1585 weight  0.10000E+01 volume  0.42400E+00 ppm1      7.895 ppm2      7.323
 ASSI { 1586}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "115 " and name "HN  ")
      5.000     5.000     0.000 peak  1586 weight  0.10000E+01 volume  0.38900E+00 ppm1      7.938 ppm2      7.300
 ASSI { 1587}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "116 " and name "HN  ")
      3.000     3.000     0.000 peak  1587 weight  0.10000E+01 volume  0.51660E+01 ppm1      7.944 ppm2      7.900
 ASSI { 1589}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "119 " and name "HN  ")
      7.000     7.000     0.000 peak  1589 weight  0.10000E+01 volume  0.24300E+00 ppm1      7.939 ppm2      7.323
 ASSI { 1590}
     (segid "    " and resid "117 " and name "HN  ")
     (segid "    " and resid "120 " and name "HN  ")
      7.000     7.000     0.000 peak  1590 weight  0.10000E+01 volume -0.43000E-01 ppm1      7.940 ppm2      7.488
 ASSI { 1595}
     (segid "    " and resid "118 " and name "HN  ")
     (segid "    " and resid "120 " and name "HN  ")
      5.000     5.000     0.000 peak  1595 weight  0.10000E+01 volume -0.35100E+00 ppm1      8.115 ppm2      7.478
 ASSI { 1600}
     (segid "    " and resid "119 " and name "HN  ")
     (segid "    " and resid "121 " and name "HN  ")
      5.000     5.000     0.000 peak  1600 weight  0.10000E+01 volume  0.45400E+00 ppm1      7.318 ppm2      7.857
 ASSI { 1604}
     (segid "    " and resid "120 " and name "HN  ")
     (segid "    " and resid "125 " and name "HN  ")
      5.000     5.000     0.000 peak  1604 weight  0.10000E+01 volume -0.30400E+00 ppm1      7.478 ppm2      8.102
 ASSI { 1610}
     (segid "    " and resid "124 " and name "HN  ")
     (segid "    " and resid "126 " and name "HN  ")
      5.000     5.000     0.000 peak  1610 weight  0.10000E+01 volume  0.55200E+00 ppm1      7.133 ppm2      8.488
 ASSI { 1612}
     (segid "    " and resid "124 " and name "HN  ")
     (segid "    " and resid "127 " and name "HN  ")
      7.000     7.000     0.000 peak  1612 weight  0.10000E+01 volume  0.91000E-01 ppm1      7.138 ppm2      7.411
 ASSI { 1615}
     (segid "    " and resid "125 " and name "HN  ")
     (segid "    " and resid "121 " and name "HN  ")
      5.000     5.000     0.000 peak  1615 weight  0.10000E+01 volume  0.31400E+00 ppm1      8.122 ppm2      7.871
 ASSI { 1616}
     (segid "    " and resid "125 " and name "HN  ")
     (segid "    " and resid "124 " and name "HN  ")
      3.000     3.000     0.000 peak  1616 weight  0.10000E+01 volume  0.34680E+01 ppm1      8.121 ppm2      7.125
 ASSI { 1620}
     (segid "    " and resid "125 " and name "HN  ")
     (segid "    " and resid "127 " and name "HN  ")
      5.000     5.000     0.000 peak  1620 weight  0.10000E+01 volume  0.34000E+00 ppm1      8.124 ppm2      7.428
 ASSI { 1621}
     (segid "    " and resid "125 " and name "HN  ")
     (segid "    " and resid "128 " and name "HN  ")
      7.000     7.000     0.000 peak  1621 weight  0.10000E+01 volume  0.10500E+00 ppm1      8.126 ppm2      8.222
 ASSI { 1630}
     (segid "    " and resid "126 " and name "HN  ")
     (segid "    " and resid "129 " and name "HN  ")
      7.000     7.000     0.000 peak  1630 weight  0.10000E+01 volume  0.66000E-01 ppm1      8.500 ppm2      8.287
 ASSI { 1639}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "124 " and name "HN  ")
      7.000     7.000     0.000 peak  1639 weight  0.10000E+01 volume  0.88000E-01 ppm1      8.225 ppm2      7.144
 ASSI { 1641}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "126 " and name "HN  ")
      5.000     5.000     0.000 peak  1641 weight  0.10000E+01 volume  0.45900E+00 ppm1      8.226 ppm2      8.497
 ASSI { 1644}
     (segid "    " and resid "128 " and name "HN  ")
     (segid "    " and resid "129 " and name "HN  ")
      5.000     5.000     0.000 peak  1644 weight  0.10000E+01 volume  0.16110E+01 ppm1      8.223 ppm2      8.287
 ASSI { 1645}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "125 " and name "HN  ")
      7.000     7.000     0.000 peak  1645 weight  0.10000E+01 volume  0.66000E-01 ppm1      8.285 ppm2      8.089
 ASSI { 1650}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "131 " and name "HN  ")
      7.000     7.000     0.000 peak  1650 weight  0.10000E+01 volume  0.92000E-01 ppm1      8.286 ppm2      6.843
 ASSI { 1651}
     (segid "    " and resid "129 " and name "HN  ")
     (segid "    " and resid "132 " and name "HN  ")
      7.000     7.000     0.000 peak  1651 weight  0.10000E+01 volume  0.98000E-01 ppm1      8.284 ppm2      7.016
 ASSI { 1654}
     (segid "    " and resid "131 " and name "HN  ")
     (segid "    " and resid "132 " and name "HN  ")
      3.000     3.000     0.000 peak  1654 weight  0.10000E+01 volume  0.38470E+01 ppm1      6.835 ppm2      7.016
 ASSI { 1657}
     (segid "    " and resid "132 " and name "HN  ")
     (segid "    " and resid "134 " and name "HN  ")
      7.000     7.000     0.000 peak  1657 weight  0.10000E+01 volume  0.64000E-01 ppm1      7.032 ppm2      7.962
 ASSI { 1659}
     (segid "    " and resid "133 " and name "HN  ")
     (segid "    " and resid "131 " and name "HN  ")
      7.000     7.000     0.000 peak  1659 weight  0.10000E+01 volume  0.12700E+00 ppm1      8.742 ppm2      6.782
 ASSI { 1664}
     (segid "    " and resid "134 " and name "HN  ")
     (segid "    " and resid "135 " and name "HN  ")
      5.000     5.000     0.000 peak  1664 weight  0.10000E+01 volume  0.19740E+01 ppm1      7.964 ppm2      8.042
 ASSI { 1666}
     (segid "    " and resid "134 " and name "HN  ")
     (segid "    " and resid "136 " and name "HN  ")
      5.000     5.000     0.000 peak  1666 weight  0.10000E+01 volume  0.71800E+00 ppm1      7.966 ppm2      7.553
 ASSI { 1670}
     (segid "    " and resid "135 " and name "HN  ")
     (segid "    " and resid "136 " and name "HN  ")
      3.000     3.000     0.000 peak  1670 weight  0.10000E+01 volume  0.30700E+01 ppm1      8.055 ppm2      7.553
 ASSI { 1674}
     (segid "    " and resid "136 " and name "HN  ")
     (segid "    " and resid "137 " and name "HN  ")
      7.000     7.000     0.000 peak  1674 weight  0.10000E+01 volume  0.15100E+00 ppm1      7.568 ppm2      7.445
 ASSI { 1680}
     (segid "    " and resid "138 " and name "HN  ")
     (segid "    " and resid "140 " and name "HN  ")
      5.000     5.000     0.000 peak  1680 weight  0.10000E+01 volume  0.36800E+00 ppm1      7.720 ppm2      8.137
 ASSI { 1681}
     (segid "    " and resid "138 " and name "HN  ")
     (segid "    " and resid "141 " and name "HN  ")
      5.000     5.000     0.000 peak  1681 weight  0.10000E+01 volume  0.54300E+00 ppm1      7.709 ppm2      8.447
 ASSI { 1683}
     (segid "    " and resid "138 " and name "HN  ")
     (segid "    " and resid "143 " and name "HN  ")
      7.000     7.000     0.000 peak  1683 weight  0.10000E+01 volume  0.18900E+00 ppm1      7.704 ppm2      8.580
 ASSI { 1686}
     (segid "    " and resid "139 " and name "HN  ")
     (segid "    " and resid "141 " and name "HN  ")
      5.000     5.000     0.000 peak  1686 weight  0.10000E+01 volume  0.58600E+00 ppm1      8.297 ppm2      8.447
 ASSI { 1695}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "139 " and name "HN  ")
      7.000     7.000     0.000 peak  1695 weight  0.10000E+01 volume  0.20900E+00 ppm1      8.197 ppm2      8.294
 ASSI { 1696}
     (segid "    " and resid "142 " and name "HN  ")
     (segid "    " and resid "140 " and name "HN  ")
      5.000     5.000     0.000 peak  1696 weight  0.10000E+01 volume  0.12780E+01 ppm1      8.187 ppm2      8.137
 ASSI { 1701}
     (segid "    " and resid "143 " and name "HN  ")
     (segid "    " and resid "145 " and name "HN  ")
      7.000     7.000     0.000 peak  1701 weight  0.10000E+01 volume  0.23900E+00 ppm1      8.562 ppm2      8.795
 ASSI { 1702}
     (segid "    " and resid "143 " and name "HN  ")
     (segid "    " and resid "146 " and name "HN  ")
      5.000     5.000     0.000 peak  1702 weight  0.10000E+01 volume  0.63800E+00 ppm1      8.575 ppm2      7.642
 ASSI { 1706}
     (segid "    " and resid "145 " and name "HN  ")
     (segid "    " and resid "147 " and name "HN  ")
      5.000     5.000     0.000 peak  1706 weight  0.10000E+01 volume  0.37700E+00 ppm1      8.794 ppm2      8.753
 ASSI { 1707}
     (segid "    " and resid "145 " and name "HN  ")
     (segid "    " and resid "148 " and name "HN  ")
      7.000     7.000     0.000 peak  1707 weight  0.10000E+01 volume  0.84000E-01 ppm1      8.793 ppm2      8.274
 ASSI { 1713}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "143 " and name "HN  ")
      5.000     5.000     0.000 peak  1713 weight  0.10000E+01 volume  0.50100E+00 ppm1      8.754 ppm2      8.573
 ASSI { 1717}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "149 " and name "HN  ")
      5.000     5.000     0.000 peak  1717 weight  0.10000E+01 volume  0.41400E+00 ppm1      8.758 ppm2      8.552
 ASSI { 1718}
     (segid "    " and resid "147 " and name "HN  ")
     (segid "    " and resid "150 " and name "HN  ")
      7.000     7.000     0.000 peak  1718 weight  0.10000E+01 volume  0.11500E+00 ppm1      8.745 ppm2      8.416
 ASSI { 1720}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "146 " and name "HN  ")
      5.000     5.000     0.000 peak  1720 weight  0.10000E+01 volume  0.66300E+00 ppm1      8.280 ppm2      7.644
 ASSI { 1723}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "150 " and name "HN  ")
      5.000     5.000     0.000 peak  1723 weight  0.10000E+01 volume  0.14270E+01 ppm1      8.282 ppm2      8.403
 ASSI { 1724}
     (segid "    " and resid "148 " and name "HN  ")
     (segid "    " and resid "151 " and name "HN  ")
      7.000     7.000     0.000 peak  1724 weight  0.10000E+01 volume  0.11400E+00 ppm1      8.271 ppm2      7.795
 ASSI { 1726}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "146 " and name "HN  ")
      5.000     5.000     0.000 peak  1726 weight  0.10000E+01 volume  0.36900E+00 ppm1      8.552 ppm2      7.643
 ASSI { 1730}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "151 " and name "HN  ")
      5.000     5.000     0.000 peak  1730 weight  0.10000E+01 volume  0.33400E+00 ppm1      8.552 ppm2      7.795
 ASSI { 1731}
     (segid "    " and resid "149 " and name "HN  ")
     (segid "    " and resid "152 " and name "HN  ")
      7.000     7.000     0.000 peak  1731 weight  0.10000E+01 volume  0.12500E+00 ppm1      8.553 ppm2      7.987
 ASSI { 1737}
     (segid "    " and resid "150 " and name "HN  ")
     (segid "    " and resid "152 " and name "HN  ")
      5.000     5.000     0.000 peak  1737 weight  0.10000E+01 volume  0.64000E+00 ppm1      8.416 ppm2      7.987
 ASSI { 1738}
     (segid "    " and resid "150 " and name "HN  ")
     (segid "    " and resid "153 " and name "HN  ")
      7.000     7.000     0.000 peak  1738 weight  0.10000E+01 volume  0.26800E+00 ppm1      8.424 ppm2      7.839
 ASSI { 1743}
     (segid "    " and resid "151 " and name "HN  ")
     (segid "    " and resid "153 " and name "HN  ")
      5.000     5.000     0.000 peak  1743 weight  0.10000E+01 volume  0.86400E+00 ppm1      7.796 ppm2      7.839
 ASSI { 1752}
     (segid "    " and resid "153 " and name "HN  ")
     (segid "    " and resid "156 " and name "HN  ")
      7.000     7.000     0.000 peak  1752 weight  0.10000E+01 volume  0.85000E-01 ppm1      7.860 ppm2      7.104
 ASSI { 1753}
     (segid "    " and resid "154 " and name "HE21")
     (segid "    " and resid "158 " and name "HN  ")
      7.000     7.000     0.000 peak  1753 weight  0.10000E+01 volume  0.11400E+00 ppm1      7.834 ppm2      8.298
 ASSI { 1754}
     (segid "    " and resid "154 " and name "HE22")
     (segid "    " and resid "158 " and name "HN  ")
      7.000     7.000     0.000 peak  1754 weight  0.10000E+01 volume  0.63000E-01 ppm1      6.808 ppm2      8.298
 ASSI { 1756}
     (segid "    " and resid "156 " and name "HN  ")
     (segid "    " and resid "157 " and name "HN  ")
      3.000     3.000     0.000 peak  1756 weight  0.10000E+01 volume  0.36450E+01 ppm1      7.128 ppm2      8.153
 ASSI { 1757}
     (segid "    " and resid "156 " and name "HN  ")
     (segid "    " and resid "158 " and name "HN  ")
      5.000     5.000     0.000 peak  1757 weight  0.10000E+01 volume  0.74400E+00 ppm1      7.126 ppm2      8.298
 ASSI { 1758}
     (segid "    " and resid "156 " and name "HN  ")
     (segid "    " and resid "159 " and name "HN  ")
      7.000     7.000     0.000 peak  1758 weight  0.10000E+01 volume  0.61000E-01 ppm1      7.134 ppm2      7.383
 ASSI { 1761}
     (segid "    " and resid "157 " and name "HN  ")
     (segid "    " and resid "159 " and name "HN  ")
      5.000     5.000     0.000 peak  1761 weight  0.10000E+01 volume  0.34000E+00 ppm1      8.164 ppm2      7.386
 ASSI { 1766}
     (segid "    " and resid "158 " and name "HN  ")
     (segid "    " and resid "157 " and name "HN  ")
      3.000     3.000     0.000 peak  1766 weight  0.10000E+01 volume  0.55200E+01 ppm1      8.298 ppm2      8.153
 ASSI { 1768}
     (segid "    " and resid "158 " and name "HN  ")
     (segid "    " and resid "160 " and name "HN  ")
      5.000     5.000     0.000 peak  1768 weight  0.10000E+01 volume  0.33400E+00 ppm1      8.299 ppm2      7.926
 ASSI { 1769}
     (segid "    " and resid "158 " and name "HN  ")
     (segid "    " and resid "161 " and name "HN  ")
      7.000     7.000     0.000 peak  1769 weight  0.10000E+01 volume  0.13700E+00 ppm1      8.299 ppm2      8.741
 ASSI { 1774}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "161 " and name "HN  ")
      5.000     5.000     0.000 peak  1774 weight  0.10000E+01 volume  0.59300E+00 ppm1      7.374 ppm2      8.742
 ASSI { 1775}
     (segid "    " and resid "159 " and name "HN  ")
     (segid "    " and resid "162 " and name "HN  ")
      7.000     7.000     0.000 peak  1775 weight  0.10000E+01 volume -0.15700E+00 ppm1      7.374 ppm2      7.593
 ASSI { 1779}
     (segid "    " and resid "160 " and name "HN  ")
     (segid "    " and resid "161 " and name "HN  ")
      3.000     3.000     0.000 peak  1779 weight  0.10000E+01 volume  0.36160E+01 ppm1      7.945 ppm2      8.746
 ASSI { 1780}
     (segid "    " and resid "160 " and name "HN  ")
     (segid "    " and resid "162 " and name "HN  ")
      5.000     5.000     0.000 peak  1780 weight  0.10000E+01 volume -0.76700E+00 ppm1      7.930 ppm2      7.579
 ASSI { 1785}
     (segid "    " and resid "161 " and name "HN  ")
     (segid "    " and resid "163 " and name "HN  ")
      7.000     7.000     0.000 peak  1785 weight  0.10000E+01 volume  0.29100E+00 ppm1      8.753 ppm2      7.485
 ASSI { 1790}
     (segid "    " and resid "162 " and name "HN  ")
     (segid "    " and resid "164 " and name "HN  ")
      5.000     5.000     0.000 peak  1790 weight  0.10000E+01 volume -0.32800E+00 ppm1      7.586 ppm2      7.616
 ASSI (
     (segid "    " and resid "136 " and name "HD2 ")
 )(
     (segid "    " and resid "114 " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  5544 weight  0.10000E+01 volume  0.30700E+00 ppm1      6.748 ppm2      7.841
 ASSI (
     (segid "    " and resid "166 " and name "HD13")
  OR 
     (segid "    " and resid "166 " and name "HD12")
  OR 
     (segid "    " and resid "166 " and name "HD11")
 )(
     (segid "    " and resid "164 " and name "HE3 ")
  OR 
     (segid "    " and resid "164 " and name "HE2 ")
  OR 
     (segid "    " and resid "164 " and name "HE1 ")
 )
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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  OR 
     (segid "    " and resid "142 " and name "HB2 ")
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 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
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 ASSI (
     (segid "    " and resid "60  " and name "HD23")
  OR 
     (segid "    " and resid "60  " and name "HD22")
  OR 
     (segid "    " and resid "60  " and name "HD21")
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     (segid "    " and resid "64  " and name "HD2 ")
  OR 
     (segid "    " and resid "64  " and name "HD1 ")
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 ASSI (
     (segid "    " and resid "96  " and name "HG22")
  OR 
     (segid "    " and resid "96  " and name "HG21")
 )(
     (segid "    " and resid "92  " and name "HA  ")
 )
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 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "23  " and name "HA  ")
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 ASSI (
     (segid "    " and resid "60  " and name "HD23")
  OR 
     (segid "    " and resid "60  " and name "HD22")
  OR 
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
 )(
     (segid "    " and resid "64  " and name "HB1 ")
  OR 
     (segid "    " and resid "23  " and name "HB  ")
 )
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 ASSI (
     (segid "    " and resid "96  " and name "HG21")
  OR 
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )(
     (segid "    " and resid "83  " and name "HB1 ")
  OR 
     (segid "    " and resid "59  " and name "HB3 ")
  OR 
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
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      3.300     3.300     0.000 peak  5474 weight  0.10000E+01 volume  0.28330E+01 ppm1      1.135 ppm2      1.327
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
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 ASSI (
     (segid "    " and resid "145 " and name "HD23")
  OR 
     (segid "    " and resid "145 " and name "HD22")
  OR 
     (segid "    " and resid "145 " and name "HD21")
 )(
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 ASSI (
     (segid "    " and resid "60  " and name "HD13")
  OR 
     (segid "    " and resid "60  " and name "HD12")
  OR 
     (segid "    " and resid "60  " and name "HD11")
 )(
     (segid "    " and resid "64  " and name "HD2 ")
  OR 
     (segid "    " and resid "64  " and name "HD1 ")
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 ASSI (
     (segid "    " and resid "60  " and name "HD13")
  OR 
     (segid "    " and resid "60  " and name "HD12")
  OR 
     (segid "    " and resid "60  " and name "HD11")
 )(
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 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
 )(
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 ASSI (
     (segid "    " and resid "105 " and name "HD13")
  OR 
     (segid "    " and resid "105 " and name "HD12")
  OR 
     (segid "    " and resid "105 " and name "HD11")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )(
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  OR 
     (segid "    " and resid "44  " and name "HA2 ")
 )
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 ASSI (
     (segid "    " and resid "128 " and name "HD13")
  OR 
     (segid "    " and resid "128 " and name "HD12")
  OR 
     (segid "    " and resid "128 " and name "HD11")
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  OR 
     (segid "    " and resid "116 " and name "HB2 ")
  OR 
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  OR 
     (segid "    " and resid "84  " and name "HB2 ")
  OR 
     (segid "    " and resid "84  " and name "HB1 ")
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 ASSI (
     (segid "    " and resid "145 " and name "HD13")
  OR 
     (segid "    " and resid "145 " and name "HD12")
  OR 
     (segid "    " and resid "145 " and name "HD11")
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 ASSI (
     (segid "    " and resid "145 " and name "HD13")
  OR 
     (segid "    " and resid "145 " and name "HD12")
  OR 
     (segid "    " and resid "145 " and name "HD11")
  OR 
     (segid "    " and resid "134 " and name "HD11")
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  OR 
     (segid "    " and resid "164 " and name "HE2 ")
  OR 
     (segid "    " and resid "164 " and name "HE1 ")
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      5.000     5.000     0.000 peak  5478 weight  0.10000E+01 volume  0.12060E+01 ppm1      0.955 ppm2      1.983
 ASSI (
     (segid "    " and resid "134 " and name "HD13")
  OR 
     (segid "    " and resid "134 " and name "HD11")
 )(
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 )
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 ASSI (
     (segid "    " and resid "14  " and name "HD13")
  OR 
     (segid "    " and resid "14  " and name "HD12")
  OR 
     (segid "    " and resid "14  " and name "HD11")
 )(
     (segid "    " and resid "37  " and name "HA  ")
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 ASSI (
     (segid "    " and resid "5   " and name "HG  ")
  OR 
     (segid "    " and resid "4   " and name "HG  ")
 )(
     (segid "    " and resid "5   " and name "HA  ")
  OR 
     (segid "    " and resid "4   " and name "HA  ")
 )
      5.000     5.000     0.000 peak 12868 weight  0.10000E+01 volume -0.99100E+00 ppm1      1.636 ppm2      4.377
 ASSI (
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )(
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  OR 
     (segid "    " and resid "94  " and name "HG12")
  OR 
     (segid "    " and resid "94  " and name "HG11")
 )
      6.000     6.000     0.000 peak 12969 weight  0.10000E+01 volume  0.20800E+00 ppm1      2.041 ppm2      1.193
 ASSI (
     (segid "    " and resid "145 " and name "HG  ")
 )(
     (segid "    " and resid "145 " and name "HB1 ")
 )
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 ASSI (
     (segid "    " and resid "30  " and name "HD13")
  OR 
     (segid "    " and resid "30  " and name "HD12")
  OR 
     (segid "    " and resid "30  " and name "HD11")
 )(
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  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
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 ASSI (
     (segid "    " and resid "29  " and name "HG  ")
 )(
     (segid "    " and resid "29  " and name "HD23")
  OR 
     (segid "    " and resid "29  " and name "HD22")
  OR 
     (segid "    " and resid "29  " and name "HD21")
 )
      5.000     5.000     0.000 peak  5481 weight  0.10000E+01 volume  0.19120E+01 ppm1      1.831 ppm2      0.783
 ASSI (
     (segid "    " and resid "115 " and name "HD13")
  OR 
     (segid "    " and resid "115 " and name "HD12")
  OR 
     (segid "    " and resid "115 " and name "HD11")
 )(
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  OR 
     (segid "    " and resid "85  " and name "HB1 ")
 )
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 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
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 ASSI (
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  OR 
     (segid "    " and resid "156 " and name "HD12")
  OR 
     (segid "    " and resid "156 " and name "HD11")
 )(
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 )
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 ASSI (
     (segid "    " and resid "156 " and name "HD13")
  OR 
     (segid "    " and resid "156 " and name "HD12")
  OR 
     (segid "    " and resid "156 " and name "HD11")
 )(
     (segid "    " and resid "120 " and name "HA2 ")
 )
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 ASSI (
     (segid "    " and resid "156 " and name "HD13")
  OR 
     (segid "    " and resid "156 " and name "HD12")
  OR 
     (segid "    " and resid "156 " and name "HD11")
 )(
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  OR 
     (segid "    " and resid "120 " and name "HA1 ")
 )
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 ASSI (
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  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
 )(
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  OR 
     (segid "    " and resid "117 " and name "HG22")
  OR 
     (segid "    " and resid "117 " and name "HG21")
 )
      5.000     5.000     0.000 peak  5485 weight  0.10000E+01 volume  0.16760E+01 ppm1      1.182 ppm2      0.795
 ASSI (
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 )(
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  OR 
     (segid "    " and resid "143 " and name "HG22")
  OR 
     (segid "    " and resid "143 " and name "HG21")
 )
      5.000     5.000     0.000 peak 13024 weight  0.10000E+01 volume  0.41800E+00 ppm1      1.682 ppm2      1.257
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )(
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  OR 
     (segid "    " and resid "30  " and name "HD12")
  OR 
     (segid "    " and resid "30  " and name "HD11")
 )
      5.000     5.000     0.000 peak 12931 weight  0.10000E+01 volume  0.31600E+00 ppm1      2.014 ppm2      0.663
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
  OR 
     (segid "    " and resid "64  " and name "HD1 ")
 )(
     (segid "    " and resid "64  " and name "HE2 ")
  OR 
     (segid "    " and resid "64  " and name "HE1 ")
 )
      3.300     3.300     0.000 peak 12843 weight  0.10000E+01 volume -0.24730E+01 ppm1      1.690 ppm2      2.985
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
  OR 
     (segid "    " and resid "64  " and name "HD1 ")
 )(
     (segid "    " and resid "64  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 12842 weight  0.10000E+01 volume  0.11950E+01 ppm1      1.700 ppm2      1.937
 ASSI (
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )(
     (segid "    " and resid "90  " and name "HA  ")
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      6.000     6.000     0.000 peak  5487 weight  0.10000E+01 volume -0.24900E+00 ppm1      1.435 ppm2      4.232
 ASSI (
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5488 weight  0.10000E+01 volume -0.52000E-01 ppm1      1.970 ppm2      4.633
 ASSI (
     (segid "    " and resid "56  " and name "HB2 ")
 )(
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  OR 
     (segid "    " and resid "94  " and name "HG12")
  OR 
     (segid "    " and resid "94  " and name "HG11")
 )
      5.000     5.000     0.000 peak 12965 weight  0.10000E+01 volume  0.39200E+00 ppm1      1.966 ppm2      1.207
 ASSI (
     (segid "    " and resid "56  " and name "HB1 ")
 )(
     (segid "    " and resid "94  " and name "HG13")
  OR 
     (segid "    " and resid "94  " and name "HG12")
  OR 
     (segid "    " and resid "94  " and name "HG11")
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      5.000     5.000     0.000 peak 12964 weight  0.10000E+01 volume  0.45600E+00 ppm1      2.042 ppm2      1.207
 ASSI (
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 )(
     (segid "    " and resid "102 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5489 weight  0.10000E+01 volume  0.91100E+00 ppm1      2.238 ppm2      3.878
 ASSI (
     (segid "    " and resid "80  " and name "HB  ")
 )(
     (segid "    " and resid "80  " and name "HG13")
  OR 
     (segid "    " and resid "80  " and name "HG12")
  OR 
     (segid "    " and resid "80  " and name "HG11")
 )
      3.300     3.300     0.000 peak  5490 weight  0.10000E+01 volume  0.25250E+01 ppm1      1.915 ppm2      0.904
 ASSI (
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  OR 
     (segid "    " and resid "157 " and name "HG1 ")
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     (segid "    " and resid "148 " and name "HB2 ")
  OR 
     (segid "    " and resid "148 " and name "HB1 ")
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 ASSI (
     (segid "    " and resid "79  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
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  OR 
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  OR 
     (segid "    " and resid "67  " and name "HB2 ")
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 ASSI (
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB2 ")
 )(
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  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "23  " and name "HB  ")
 )(
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  OR 
     (segid "    " and resid "58  " and name "HG22")
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 ASSI (
     (segid "    " and resid "72  " and name "HB1 ")
 )(
     (segid "    " and resid "72  " and name "HA  ")
 )
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 ASSI (
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  OR 
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 ASSI (
     (segid "    " and resid "7   " and name "HG1 ")
  OR 
     (segid "    " and resid "6   " and name "HG1 ")
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  OR 
     (segid "    " and resid "6   " and name "HA  ")
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 ASSI (
     (segid "    " and resid "6   " and name "HG2 ")
  OR 
     (segid "    " and resid "6   " and name "HG1 ")
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  OR 
     (segid "    " and resid "8   " and name "HG11")
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 ASSI (
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 )(
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      6.000     6.000     0.000 peak 13064 weight  0.10000E+01 volume  0.25400E+00 ppm1      2.205 ppm2      3.913
 ASSI (
     (segid "    " and resid "33  " and name "HG1 ")
 )(
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  OR 
     (segid "    " and resid "29  " and name "HD22")
  OR 
     (segid "    " and resid "29  " and name "HD21")
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      5.000     5.000     0.000 peak  5494 weight  0.10000E+01 volume -0.74000E+00 ppm1      2.293 ppm2      0.791
 ASSI (
     (segid "    " and resid "33  " and name "HG2 ")
 )(
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  OR 
     (segid "    " and resid "29  " and name "HD22")
  OR 
     (segid "    " and resid "29  " and name "HD21")
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      5.000     5.000     0.000 peak  5495 weight  0.10000E+01 volume -0.42700E+00 ppm1      2.192 ppm2      0.786
 ASSI (
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 )(
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  OR 
     (segid "    " and resid "35  " and name "HG12")
  OR 
     (segid "    " and resid "35  " and name "HG11")
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 ASSI (
     (segid "    " and resid "33  " and name "HG1 ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
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      5.000     5.000     0.000 peak 13065 weight  0.10000E+01 volume  0.34700E+00 ppm1      2.298 ppm2      3.913
 ASSI (
     (segid "    " and resid "127 " and name "HB1 ")
 )(
     (segid "    " and resid "127 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5497 weight  0.10000E+01 volume -0.23900E+00 ppm1      3.419 ppm2      4.300
 ASSI (
     (segid "    " and resid "127 " and name "HB2 ")
 )(
     (segid "    " and resid "127 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5498 weight  0.10000E+01 volume -0.10700E+00 ppm1      2.959 ppm2      4.300
 ASSI (
     (segid "    " and resid "145 " and name "HB2 ")
 )(
     (segid "    " and resid "145 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 13067 weight  0.10000E+01 volume  0.47000E+00 ppm1      1.405 ppm2      3.941
 ASSI (
     (segid "    " and resid "60  " and name "HB1 ")
 )(
     (segid "    " and resid "60  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  5499 weight  0.10000E+01 volume -0.10160E+01 ppm1      1.798 ppm2      1.545
 ASSI (
     (segid "    " and resid "157 " and name "HE3 ")
  OR 
     (segid "    " and resid "157 " and name "HE2 ")
  OR 
     (segid "    " and resid "157 " and name "HE1 ")
 )(
     (segid "    " and resid "149 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 12975 weight  0.10000E+01 volume  0.43700E+00 ppm1      2.056 ppm2      1.904
 ASSI (
     (segid "    " and resid "151 " and name "HD2 ")
 )(
     (segid "    " and resid "118 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5500 weight  0.10000E+01 volume -0.96000E-01 ppm1      2.991 ppm2      3.675
 ASSI (
     (segid "    " and resid "157 " and name "HE3 ")
  OR 
     (segid "    " and resid "157 " and name "HE2 ")
  OR 
     (segid "    " and resid "157 " and name "HE1 ")
 )(
     (segid "    " and resid "145 " and name "HD23")
  OR 
     (segid "    " and resid "145 " and name "HD22")
  OR 
     (segid "    " and resid "145 " and name "HD21")
 )
      5.000     5.000     0.000 peak  5501 weight  0.10000E+01 volume  0.79500E+00 ppm1      2.056 ppm2      1.001
 ASSI (
     (segid "    " and resid "151 " and name "HD1 ")
 )(
     (segid "    " and resid "118 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5502 weight  0.10000E+01 volume -0.28400E+00 ppm1      3.287 ppm2      3.691
 ASSI (
     (segid "    " and resid "118 " and name "HD2 ")
  OR 
     (segid "    " and resid "118 " and name "HD1 ")
 )(
     (segid "    " and resid "115 " and name "HD23")
  OR 
     (segid "    " and resid "115 " and name "HD22")
  OR 
     (segid "    " and resid "115 " and name "HD21")
 )
      5.000     5.000     0.000 peak 12889 weight  0.10000E+01 volume -0.30000E+00 ppm1      3.244 ppm2      0.961
 ASSI (
     (segid "    " and resid "137 " and name "HD2 ")
  OR 
     (segid "    " and resid "137 " and name "HD1 ")
 )(
     (segid "    " and resid "137 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5503 weight  0.10000E+01 volume -0.14360E+01 ppm1      3.162 ppm2      1.701
 ASSI (
     (segid "    " and resid "137 " and name "HD2 ")
  OR 
     (segid "    " and resid "137 " and name "HD1 ")
 )(
     (segid "    " and resid "143 " and name "HG23")
  OR 
     (segid "    " and resid "143 " and name "HG22")
  OR 
     (segid "    " and resid "143 " and name "HG21")
 )
      6.000     6.000     0.000 peak  5504 weight  0.10000E+01 volume -0.20600E+00 ppm1      3.158 ppm2      1.261
 ASSI (
     (segid "    " and resid "44  " and name "HA1 ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
 )
      6.000     6.000     0.000 peak 13028 weight  0.10000E+01 volume -0.15100E+00 ppm1      4.212 ppm2      0.899
 ASSI (
     (segid "    " and resid "120 " and name "HA2 ")
 )(
     (segid "    " and resid "156 " and name "HD13")
  OR 
     (segid "    " and resid "156 " and name "HD12")
  OR 
     (segid "    " and resid "156 " and name "HD11")
 )
      6.000     6.000     0.000 peak 12870 weight  0.10000E+01 volume -0.16600E+00 ppm1      3.528 ppm2      1.005
 ASSI (
     (segid "    " and resid "152 " and name "HA1 ")
  OR 
     (segid "    " and resid "120 " and name "HA1 ")
 )(
     (segid "    " and resid "156 " and name "HD13")
  OR 
     (segid "    " and resid "156 " and name "HD12")
  OR 
     (segid "    " and resid "156 " and name "HD11")
 )
      6.000     6.000     0.000 peak 12871 weight  0.10000E+01 volume -0.23600E+00 ppm1      4.029 ppm2      1.005
 ASSI (
     (segid "    " and resid "21  " and name "HA2 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak 10150 weight  0.10000E+01 volume -0.22000E+00 ppm1      3.554 ppm2      0.989
 ASSI (
     (segid "    " and resid "21  " and name "HA1 ")
 )(
     (segid "    " and resid "52  " and name "HE3 ")
  OR 
     (segid "    " and resid "52  " and name "HE2 ")
 )
      6.000     6.000     0.000 peak 10243 weight  0.10000E+01 volume -0.78000E-01 ppm1      4.288 ppm2      2.066
 ASSI (
     (segid "    " and resid "21  " and name "HA1 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      6.000     6.000     0.000 peak 10237 weight  0.10000E+01 volume -0.20800E+00 ppm1      4.288 ppm2      0.986
 ASSI (
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD22")
  OR 
     (segid "    " and resid "30  " and name "HD21")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      3.300     3.300     0.000 peak 12924 weight  0.10000E+01 volume -0.24830E+01 ppm1      0.761 ppm2      4.222
 ASSI (
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
 )(
     (segid "    " and resid "93  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  5506 weight  0.10000E+01 volume -0.55000E-01 ppm1      0.834 ppm2      2.739
 ASSI (
     (segid "    " and resid "103 " and name "HA  ")
 )(
     (segid "    " and resid "111 " and name "HD23")
  OR 
     (segid "    " and resid "111 " and name "HD22")
  OR 
     (segid "    " and resid "111 " and name "HD21")
 )
      5.000     5.000     0.000 peak  5507 weight  0.10000E+01 volume -0.19480E+01 ppm1      5.347 ppm2      0.963
 ASSI (
     (segid "    " and resid "38  " and name "HA  ")
 )(
     (segid "    " and resid "46  " and name "HB  ")
 )
      6.000     6.000     0.000 peak 12916 weight  0.10000E+01 volume -0.17200E+00 ppm1      5.164 ppm2      4.942
 ASSI (
     (segid "    " and resid "72  " and name "HA  ")
 )(
     (segid "    " and resid "72  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 13056 weight  0.10000E+01 volume  0.35200E+00 ppm1      5.017 ppm2      1.854
 ASSI (
     (segid "    " and resid "55  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak 13071 weight  0.10000E+01 volume  0.31100E+00 ppm1      5.062 ppm2      3.379
 ASSI (
     (segid "    " and resid "55  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 13072 weight  0.10000E+01 volume  0.76900E+00 ppm1      5.062 ppm2      4.005
 ASSI (
     (segid "    " and resid "145 " and name "HG  ")
 )(
     (segid "    " and resid "145 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 12838 weight  0.10000E+01 volume -0.18870E+01 ppm1      1.530 ppm2      1.410
 ASSI (
     (segid "    " and resid "72  " and name "HA  ")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 13054 weight  0.10000E+01 volume  0.44400E+00 ppm1      4.998 ppm2      1.974
 ASSI (
     (segid "    " and resid "145 " and name "HG  ")
 )(
     (segid "    " and resid "145 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 12840 weight  0.10000E+01 volume -0.14130E+01 ppm1      1.526 ppm2      1.410
 ASSI (
     (segid "    " and resid "40  " and name "HA  ")
 )(
     (segid "    " and resid "46  " and name "HG23")
  OR 
     (segid "    " and resid "46  " and name "HG22")
  OR 
     (segid "    " and resid "46  " and name "HG21")
 )
      6.000     6.000     0.000 peak 12912 weight  0.10000E+01 volume -0.16100E+00 ppm1      4.366 ppm2      1.218
 ASSI (
     (segid "    " and resid "131 " and name "HA  ")
 )(
     (segid "    " and resid "131 " and name "HG2 ")
 )
      5.000     5.000     0.000 peak 12882 weight  0.10000E+01 volume  0.47200E+00 ppm1      4.528 ppm2      1.983
 ASSI (
     (segid "    " and resid "137 " and name "HA  ")
 )(
     (segid "    " and resid "143 " and name "HG23")
  OR 
     (segid "    " and resid "143 " and name "HG22")
  OR 
     (segid "    " and resid "143 " and name "HG21")
 )
      5.000     5.000     0.000 peak 12886 weight  0.10000E+01 volume -0.49700E+00 ppm1      4.228 ppm2      1.249
 ASSI (
     (segid "    " and resid "131 " and name "HA  ")
 )(
     (segid "    " and resid "131 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 12881 weight  0.10000E+01 volume  0.57600E+00 ppm1      4.548 ppm2      2.064
 ASSI (
     (segid "    " and resid "5   " and name "HA  ")
 )(
     (segid "    " and resid "5   " and name "HD13")
  OR 
     (segid "    " and resid "5   " and name "HD11")
 )
      5.000     5.000     0.000 peak  5508 weight  0.10000E+01 volume -0.59600E+00 ppm1      4.373 ppm2      0.930
 ASSI (
     (segid "    " and resid "57  " and name "HA  ")
 )(
     (segid "    " and resid "60  " and name "HD13")
  OR 
     (segid "    " and resid "60  " and name "HD12")
  OR 
     (segid "    " and resid "60  " and name "HD11")
 )
      5.000     5.000     0.000 peak 13029 weight  0.10000E+01 volume -0.70600E+00 ppm1      4.098 ppm2      0.965
 ASSI (
     (segid "    " and resid "57  " and name "HA  ")
 )(
     (segid "    " and resid "60  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 13030 weight  0.10000E+01 volume  0.43400E+00 ppm1      4.103 ppm2      1.789
 ASSI (
     (segid "    " and resid "57  " and name "HA  ")
 )(
     (segid "    " and resid "60  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 13031 weight  0.10000E+01 volume  0.28800E+00 ppm1      4.103 ppm2      1.612
 ASSI (
     (segid "    " and resid "119 " and name "HA  ")
 )(
     (segid "    " and resid "119 " and name "HB1 ")
  OR 
     (segid "    " and resid "118 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5509 weight  0.10000E+01 volume -0.68000E+00 ppm1      4.255 ppm2      2.053
 ASSI (
     (segid "    " and resid "164 " and name "HA  ")
 )(
     (segid "    " and resid "164 " and name "HE3 ")
  OR 
     (segid "    " and resid "164 " and name "HE2 ")
 )
      5.000     5.000     0.000 peak  5510 weight  0.10000E+01 volume -0.34800E+00 ppm1      4.507 ppm2      1.983
 ASSI (
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "52  " and name "HE3 ")
  OR 
     (segid "    " and resid "52  " and name "HE2 ")
  OR 
     (segid "    " and resid "52  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  5511 weight  0.10000E+01 volume -0.68700E+00 ppm1      4.510 ppm2      2.093
 ASSI (
     (segid "    " and resid "89  " and name "HA  ")
 )(
     (segid "    " and resid "92  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 13001 weight  0.10000E+01 volume  0.22300E+00 ppm1      3.720 ppm2      1.348
 ASSI (
     (segid "    " and resid "31  " and name "HA  ")
 )(
     (segid "    " and resid "34  " and name "HD23")
  OR 
     (segid "    " and resid "34  " and name "HD22")
  OR 
     (segid "    " and resid "34  " and name "HD21")
 )
      5.000     5.000     0.000 peak  5512 weight  0.10000E+01 volume -0.60900E+00 ppm1      4.639 ppm2      0.830
 ASSI (
     (segid "    " and resid "147 " and name "HA  ")
 )(
     (segid "    " and resid "142 " and name "HD13")
  OR 
     (segid "    " and resid "142 " and name "HD12")
  OR 
     (segid "    " and resid "142 " and name "HD11")
 )
      5.000     5.000     0.000 peak  5513 weight  0.10000E+01 volume -0.66100E+00 ppm1      4.208 ppm2      0.900
 ASSI (
     (segid "    " and resid "90  " and name "HA  ")
 )(
     (segid "    " and resid "93  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 13003 weight  0.10000E+01 volume -0.33600E+00 ppm1      4.260 ppm2      1.656
 ASSI (
     (segid "    " and resid "63  " and name "HA  ")
 )(
     (segid "    " and resid "67  " and name "HB3 ")
  OR 
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5514 weight  0.10000E+01 volume -0.51300E+00 ppm1      3.901 ppm2      1.122
 ASSI (
     (segid "    " and resid "29  " and name "HA  ")
 )(
     (segid "    " and resid "33  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 13063 weight  0.10000E+01 volume  0.33300E+00 ppm1      3.905 ppm2      2.294
 ASSI (
     (segid "    " and resid "29  " and name "HA  ")
 )(
     (segid "    " and resid "33  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak 13066 weight  0.10000E+01 volume  0.33200E+00 ppm1      3.905 ppm2      2.205
 ASSI (
     (segid "    " and resid "145 " and name "HA  ")
 )(
     (segid "    " and resid "145 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 13008 weight  0.10000E+01 volume  0.25500E+00 ppm1      3.922 ppm2      1.729
 ASSI (
     (segid "    " and resid "92  " and name "HA  ")
 )(
     (segid "    " and resid "92  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 13010 weight  0.10000E+01 volume  0.15900E+00 ppm1      3.891 ppm2      2.055
 ASSI (
     (segid "    " and resid "166 " and name "HA  ")
 )(
     (segid "    " and resid "167 " and name "HD1 ")
 )
      3.300     3.300     0.000 peak 12941 weight  0.10000E+01 volume  0.28590E+01 ppm1      4.525 ppm2      3.919
 ASSI (
     (segid "    " and resid "92  " and name "HA  ")
 )(
     (segid "    " and resid "95  " and name "HD13")
  OR 
     (segid "    " and resid "95  " and name "HD12")
  OR 
     (segid "    " and resid "95  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5516 weight  0.10000E+01 volume -0.18060E+01 ppm1      3.895 ppm2      0.738
 ASSI (
     (segid "    " and resid "23  " and name "HB  ")
 )(
     (segid "    " and resid "57  " and name "HB3 ")
  OR 
     (segid "    " and resid "57  " and name "HB2 ")
  OR 
     (segid "    " and resid "57  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 12874 weight  0.10000E+01 volume  0.30800E+00 ppm1      1.968 ppm2      1.446
 ASSI (
     (segid "    " and resid "161 " and name "HA  ")
 )(
     (segid "    " and resid "161 " and name "HB2 ")
  OR 
     (segid "    " and resid "161 " and name "HB1 ")
 )
      2.700     2.700     0.000 peak 13074 weight  0.10000E+01 volume -0.74130E+01 ppm1      4.013 ppm2      2.167
 ASSI (
     (segid "    " and resid "61  " and name "HA  ")
 )(
     (segid "    " and resid "61  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5517 weight  0.10000E+01 volume -0.44000E+00 ppm1      3.878 ppm2      1.966
 ASSI (
     (segid "    " and resid "146 " and name "HA  ")
 )(
     (segid "    " and resid "149 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5518 weight  0.10000E+01 volume -0.84900E+00 ppm1      3.999 ppm2      1.938
 ASSI (
     (segid "    " and resid "150 " and name "HA  ")
 )(
     (segid "    " and resid "150 " and name "HG2 ")
 )
      3.300     3.300     0.000 peak  5519 weight  0.10000E+01 volume  0.20540E+01 ppm1      4.033 ppm2      2.353
 ASSI (
     (segid "    " and resid "150 " and name "HA  ")
  OR 
     (segid "    " and resid "24  " and name "HA  ")
 )(
     (segid "    " and resid "150 " and name "HG1 ")
  OR 
     (segid "    " and resid "24  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5520 weight  0.10000E+01 volume  0.19160E+01 ppm1      4.033 ppm2      2.525
 ASSI (
     (segid "    " and resid "157 " and name "HA  ")
 )(
     (segid "    " and resid "145 " and name "HD23")
  OR 
     (segid "    " and resid "145 " and name "HD22")
  OR 
     (segid "    " and resid "145 " and name "HD21")
 )
      5.000     5.000     0.000 peak  5521 weight  0.10000E+01 volume  0.11190E+01 ppm1      3.714 ppm2      0.998
 ASSI (
     (segid "    " and resid "93  " and name "HA  ")
 )(
     (segid "    " and resid "96  " and name "HB  ")
 )
      5.000     5.000     0.000 peak 13011 weight  0.10000E+01 volume  0.35700E+00 ppm1      3.709 ppm2      2.329
 ASSI (
     (segid "    " and resid "127 " and name "HA  ")
 )(
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )
      6.000     6.000     0.000 peak  5522 weight  0.10000E+01 volume  0.14400E+00 ppm1      4.312 ppm2      0.584
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )
      5.000     5.000     0.000 peak 12985 weight  0.10000E+01 volume  0.40700E+00 ppm1      3.914 ppm2      1.140
 ASSI (
     (segid "    " and resid "123 " and name "HB2 ")
  OR 
     (segid "    " and resid "123 " and name "HB1 ")
 )(
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )
      6.000     6.000     0.000 peak  5523 weight  0.10000E+01 volume  0.75000E-01 ppm1      3.996 ppm2      0.624
 ASSI (
     (segid "    " and resid "126 " and name "HA  ")
 )(
     (segid "    " and resid "159 " and name "HG23")
  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "159 " and name "HG21")
 )
      3.300     3.300     0.000 peak  5525 weight  0.10000E+01 volume  0.25520E+01 ppm1      4.010 ppm2      0.903
 ASSI (
     (segid "    " and resid "35  " and name "HA  ")
 )(
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD22")
  OR 
     (segid "    " and resid "30  " and name "HD21")
 )
      5.000     5.000     0.000 peak  5651 weight  0.10000E+01 volume  0.17500E+01 ppm1      3.789 ppm2      0.729
 ASSI (
     (segid "    " and resid "35  " and name "HA  ")
 )(
     (segid "    " and resid "10  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  5526 weight  0.10000E+01 volume  0.22700E+00 ppm1      3.794 ppm2      2.251
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      5.000     5.000     0.000 peak 12927 weight  0.10000E+01 volume  0.36300E+00 ppm1      3.694 ppm2      0.988
 ASSI (
     (segid "    " and resid "68  " and name "HB2 ")
  OR 
     (segid "    " and resid "68  " and name "HB1 ")
 )(
     (segid "    " and resid "71  " and name "HG23")
  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "63  " and name "HD21")
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "15  " and name "HA  ")
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 ASSI (
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 )(
     (segid "    " and resid "114 " and name "HB1 ")
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      6.000     6.000     0.000 peak  5529 weight  0.10000E+01 volume  0.23200E+00 ppm1      3.975 ppm2      3.646
 ASSI (
     (segid "    " and resid "37  " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "62  " and name "HD22")
  OR 
     (segid "    " and resid "62  " and name "HD21")
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 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
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  OR 
     (segid "    " and resid "94  " and name "HG12")
  OR 
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 ASSI (
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 )(
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  OR 
     (segid "    " and resid "94  " and name "HG12")
  OR 
     (segid "    " and resid "94  " and name "HG11")
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 ASSI (
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 )(
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 ASSI (
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  OR 
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
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 ASSI (
     (segid "    " and resid "25  " and name "HG1 ")
 )(
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  OR 
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
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 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
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 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
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 ASSI (
     (segid "    " and resid "17  " and name "HB3 ")
  OR 
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
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 ASSI (
     (segid "    " and resid "65  " and name "HG2 ")
 )(
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  OR 
     (segid "    " and resid "30  " and name "HD12")
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 ASSI (
     (segid "    " and resid "65  " and name "HG2 ")
 )(
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  OR 
     (segid "    " and resid "30  " and name "HD22")
  OR 
     (segid "    " and resid "30  " and name "HD21")
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 ASSI (
     (segid "    " and resid "46  " and name "HG23")
  OR 
     (segid "    " and resid "46  " and name "HG22")
  OR 
     (segid "    " and resid "46  " and name "HG21")
 )(
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 ASSI (
     (segid "    " and resid "46  " and name "HG23")
  OR 
     (segid "    " and resid "46  " and name "HG22")
  OR 
     (segid "    " and resid "46  " and name "HG21")
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  OR 
     (segid "    " and resid "40  " and name "HD22")
  OR 
     (segid "    " and resid "40  " and name "HD21")
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 ASSI (
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  OR 
     (segid "    " and resid "50  " and name "HG12")
  OR 
     (segid "    " and resid "50  " and name "HG11")
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  OR 
     (segid "    " and resid "45  " and name "HE1 ")
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 ASSI (
     (segid "    " and resid "67  " and name "HB3 ")
  OR 
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
 )(
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  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
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 ASSI (
     (segid "    " and resid "79  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
 )(
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  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
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 ASSI (
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  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
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  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
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 ASSI (
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
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 ASSI (
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
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  OR 
     (segid "    " and resid "53  " and name "HD1 ")
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 ASSI (
     (segid "    " and resid "83  " and name "HA  ")
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  OR 
     (segid "    " and resid "53  " and name "HD1 ")
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 ASSI (
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
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  OR 
     (segid "    " and resid "53  " and name "HE1 ")
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 ASSI (
     (segid "    " and resid "94  " and name "HG13")
  OR 
     (segid "    " and resid "94  " and name "HG12")
  OR 
     (segid "    " and resid "94  " and name "HG11")
 )(
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 ASSI (
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
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 ASSI (
     (segid "    " and resid "94  " and name "HG23")
  OR 
     (segid "    " and resid "94  " and name "HG22")
  OR 
     (segid "    " and resid "94  " and name "HG21")
 )(
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 ASSI (
     (segid "    " and resid "60  " and name "HD23")
  OR 
     (segid "    " and resid "60  " and name "HD22")
  OR 
     (segid "    " and resid "60  " and name "HD21")
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  OR 
     (segid "    " and resid "64  " and name "HE1 ")
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 ASSI (
     (segid "    " and resid "68  " and name "HB2 ")
  OR 
     (segid "    " and resid "68  " and name "HB1 ")
 )(
     (segid "    " and resid "68  " and name "HA  ")
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      5.000     5.000     0.000 peak 12998 weight  0.10000E+01 volume -0.36300E+00 ppm1      3.971 ppm2      4.768
 ASSI (
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  OR 
     (segid "    " and resid "46  " and name "HG22")
  OR 
     (segid "    " and resid "46  " and name "HG21")
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  OR 
     (segid "    " and resid "71  " and name "HG22")
  OR 
     (segid "    " and resid "71  " and name "HG21")
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 ASSI (
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  OR 
     (segid "    " and resid "115 " and name "HD12")
  OR 
     (segid "    " and resid "115 " and name "HD11")
 )(
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 ASSI (
     (segid "    " and resid "124 " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
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 ASSI (
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
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 ASSI (
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "80  " and name "HA  ")
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  OR 
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  OR 
     (segid "    " and resid "92  " and name "HD11")
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 ASSI (
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  OR 
     (segid "    " and resid "96  " and name "HG21")
 )(
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 ASSI (
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 )(
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "111 " and name "HD21")
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 ASSI (
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  OR 
     (segid "    " and resid "84  " and name "HB2 ")
  OR 
     (segid "    " and resid "84  " and name "HB1 ")
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 ASSI (
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  OR 
     (segid "    " and resid "115 " and name "HD12")
  OR 
     (segid "    " and resid "115 " and name "HD11")
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 ASSI (
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  OR 
     (segid "    " and resid "113 " and name "HD12")
  OR 
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 ASSI (
     (segid "    " and resid "111 " and name "HD13")
  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
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  OR 
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  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "118 " and name "HB1 ")
 )(
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 ASSI (
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  OR 
     (segid "    " and resid "125 " and name "HG12")
  OR 
     (segid "    " and resid "125 " and name "HG11")
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 ASSI (
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  OR 
     (segid "    " and resid "117 " and name "HG21")
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 ASSI (
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  OR 
     (segid "    " and resid "128 " and name "HD22")
  OR 
     (segid "    " and resid "128 " and name "HD21")
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 ASSI (
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  OR 
     (segid "    " and resid "116 " and name "HB2 ")
  OR 
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  OR 
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 ASSI (
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  OR 
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 ASSI (
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  OR 
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 ASSI (
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 ASSI (
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  OR 
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 ASSI (
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     (segid "    " and resid "117 " and name "HD12")
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     (segid "    " and resid "117 " and name "HD11")
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 ASSI (
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 ASSI (
     (segid "    " and resid "2   " and name "HB2 ")
  OR 
     (segid "    " and resid "2   " and name "HB1 ")
 )(
     (segid "    " and resid "2   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5571 weight  0.10000E+01 volume -0.15170E+01 ppm1      3.890 ppm2      4.477
 ASSI (
     (segid "    " and resid "5   " and name "HD13")
  OR 
     (segid "    " and resid "5   " and name "HD11")
 )(
     (segid "    " and resid "5   " and name "HA  ")
 )
      5.000     5.000     0.000 peak 12850 weight  0.10000E+01 volume -0.49600E+00 ppm1      0.947 ppm2      4.376
 ASSI (
     (segid "    " and resid "5   " and name "HD23")
  OR 
     (segid "    " and resid "5   " and name "HD22")
  OR 
     (segid "    " and resid "5   " and name "HD21")
 )(
     (segid "    " and resid "5   " and name "HA  ")
 )
      2.700     2.700     0.000 peak 12849 weight  0.10000E+01 volume -0.41790E+01 ppm1      0.896 ppm2      4.370
 ASSI (
     (segid "    " and resid "7   " and name "HB2 ")
  OR 
     (segid "    " and resid "7   " and name "HB1 ")
  OR 
     (segid "    " and resid "6   " and name "HB2 ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
  OR 
     (segid "    " and resid "6   " and name "HA  ")
 )
      3.300     3.300     0.000 peak 12898 weight  0.10000E+01 volume -0.24560E+01 ppm1      1.953 ppm2      4.300
 ASSI (
     (segid "    " and resid "6   " and name "HB1 ")
 )(
     (segid "    " and resid "6   " and name "HA  ")
 )
      3.300     3.300     0.000 peak 12897 weight  0.10000E+01 volume -0.24310E+01 ppm1      2.045 ppm2      4.300
 ASSI (
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "6   " and name "HG2 ")
  OR 
     (segid "    " and resid "6   " and name "HG1 ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
  OR 
     (segid "    " and resid "6   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5578 weight  0.10000E+01 volume  0.17630E+01 ppm1      2.236 ppm2      4.314
 ASSI (
     (segid "    " and resid "7   " and name "HB2 ")
  OR 
     (segid "    " and resid "7   " and name "HB1 ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
 )
      3.300     3.300     0.000 peak 12899 weight  0.10000E+01 volume -0.20900E+01 ppm1      1.995 ppm2      4.300
 ASSI (
     (segid "    " and resid "7   " and name "HG1 ")
  OR 
     (segid "    " and resid "6   " and name "HG1 ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
  OR 
     (segid "    " and resid "6   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5579 weight  0.10000E+01 volume  0.19550E+01 ppm1      2.273 ppm2      4.320
 ASSI (
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "6   " and name "HG2 ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
  OR 
     (segid "    " and resid "6   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5580 weight  0.10000E+01 volume  0.16410E+01 ppm1      2.200 ppm2      4.320
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "13  " and name "HD2 ")
  OR 
     (segid "    " and resid "13  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5586 weight  0.10000E+01 volume -0.23400E+00 ppm1      3.900 ppm2      3.178
 ASSI (
     (segid "    " and resid "13  " and name "HD1 ")
 )(
     (segid "    " and resid "13  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5587 weight  0.10000E+01 volume -0.12200E+00 ppm1      3.171 ppm2      4.120
 ASSI (
     (segid "    " and resid "13  " and name "HD2 ")
  OR 
     (segid "    " and resid "13  " and name "HD1 ")
 )(
     (segid "    " and resid "13  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5588 weight  0.10000E+01 volume -0.21630E+01 ppm1      3.180 ppm2      1.945
 ASSI (
     (segid "    " and resid "13  " and name "HD2 ")
  OR 
     (segid "    " and resid "13  " and name "HD1 ")
 )(
     (segid "    " and resid "29  " and name "HD23")
  OR 
     (segid "    " and resid "29  " and name "HD22")
  OR 
     (segid "    " and resid "29  " and name "HD21")
 )
      6.000     6.000     0.000 peak  5589 weight  0.10000E+01 volume -0.14900E+00 ppm1      3.173 ppm2      0.775
 ASSI (
     (segid "    " and resid "13  " and name "HD2 ")
  OR 
     (segid "    " and resid "13  " and name "HD1 ")
 )(
     (segid "    " and resid "10  " and name "HG13")
  OR 
     (segid "    " and resid "10  " and name "HG12")
  OR 
     (segid "    " and resid "10  " and name "HG11")
 )
      6.000     6.000     0.000 peak  5590 weight  0.10000E+01 volume -0.17300E+00 ppm1      3.175 ppm2      1.128
 ASSI (
     (segid "    " and resid "14  " and name "HA  ")
 )(
     (segid "    " and resid "14  " and name "HD13")
  OR 
     (segid "    " and resid "14  " and name "HD12")
  OR 
     (segid "    " and resid "14  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5593 weight  0.10000E+01 volume -0.41300E+00 ppm1      4.085 ppm2      0.973
 ASSI (
     (segid "    " and resid "14  " and name "HA  ")
 )(
     (segid "    " and resid "14  " and name "HD23")
  OR 
     (segid "    " and resid "14  " and name "HD22")
  OR 
     (segid "    " and resid "14  " and name "HD21")
 )
      5.000     5.000     0.000 peak  5595 weight  0.10000E+01 volume -0.13140E+01 ppm1      4.085 ppm2      0.942
 ASSI (
     (segid "    " and resid "15  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HB3 ")
  OR 
     (segid "    " and resid "47  " and name "HB2 ")
  OR 
     (segid "    " and resid "47  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10003 weight  0.10000E+01 volume  0.10700E+01 ppm1      3.944 ppm2      1.257
 ASSI (
     (segid "    " and resid "15  " and name "HB2 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HB3 ")
  OR 
     (segid "    " and resid "18  " and name "HB2 ")
  OR 
     (segid "    " and resid "18  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5528 weight  0.10000E+01 volume  0.10240E+01 ppm1      3.973 ppm2      1.311
 ASSI (
     (segid "    " and resid "17  " and name "HB3 ")
  OR 
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5599 weight  0.10000E+01 volume -0.54980E+01 ppm1      1.508 ppm2      4.152
 ASSI (
     (segid "    " and resid "18  " and name "HB3 ")
  OR 
     (segid "    " and resid "18  " and name "HB2 ")
  OR 
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5601 weight  0.10000E+01 volume -0.58520E+01 ppm1      1.314 ppm2      3.824
 ASSI (
     (segid "    " and resid "74  " and name "HB3 ")
  OR 
     (segid "    " and resid "74  " and name "HB2 ")
  OR 
     (segid "    " and resid "74  " and name "HB1 ")
  OR 
     (segid "    " and resid "19  " and name "HB3 ")
  OR 
     (segid "    " and resid "19  " and name "HB2 ")
  OR 
     (segid "    " and resid "19  " and name "HB1 ")
 )(
     (segid "    " and resid "74  " and name "HA  ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5606 weight  0.10000E+01 volume -0.88810E+01 ppm1      1.557 ppm2      4.274
 ASSI (
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "19  " and name "HB3 ")
  OR 
     (segid "    " and resid "19  " and name "HB2 ")
  OR 
     (segid "    " and resid "19  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  5607 weight  0.10000E+01 volume -0.74510E+01 ppm1      4.304 ppm2      1.560
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "23  " and name "HG23")
  OR 
     (segid "    " and resid "23  " and name "HG22")
  OR 
     (segid "    " and resid "23  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5615 weight  0.10000E+01 volume  0.68900E+00 ppm1      3.376 ppm2      0.927
 ASSI (
     (segid "    " and resid "23  " and name "HG23")
  OR 
     (segid "    " and resid "23  " and name "HG22")
  OR 
     (segid "    " and resid "23  " and name "HG21")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 12848 weight  0.10000E+01 volume  0.51600E+00 ppm1      0.928 ppm2      3.380
 ASSI (
     (segid "    " and resid "23  " and name "HB  ")
 )(
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5613 weight  0.10000E+01 volume  0.43600E+00 ppm1      1.965 ppm2      3.372
 ASSI (
     (segid "    " and resid "23  " and name "HB  ")
 )(
     (segid "    " and resid "23  " and name "HG23")
  OR 
     (segid "    " and resid "23  " and name "HG22")
  OR 
     (segid "    " and resid "23  " and name "HG21")
 )
      3.300     3.300     0.000 peak  5612 weight  0.10000E+01 volume  0.23770E+01 ppm1      1.955 ppm2      0.921
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "23  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5614 weight  0.10000E+01 volume  0.61900E+00 ppm1      3.373 ppm2      1.965
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "26  " and name "HG13")
  OR 
     (segid "    " and resid "26  " and name "HG12")
  OR 
     (segid "    " and resid "23  " and name "HG13")
  OR 
     (segid "    " and resid "23  " and name "HG11")
 )
      3.300     3.300     0.000 peak  5530 weight  0.10000E+01 volume  0.32360E+01 ppm1      3.376 ppm2      0.948
 ASSI (
     (segid "    " and resid "23  " and name "HG23")
  OR 
     (segid "    " and resid "23  " and name "HG22")
  OR 
     (segid "    " and resid "23  " and name "HG21")
 )(
     (segid "    " and resid "23  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  5611 weight  0.10000E+01 volume  0.30520E+01 ppm1      0.915 ppm2      1.960
 ASSI (
     (segid "    " and resid "24  " and name "HG2 ")
  OR 
     (segid "    " and resid "24  " and name "HG1 ")
 )(
     (segid "    " and resid "23  " and name "HG23")
  OR 
     (segid "    " and resid "23  " and name "HG22")
  OR 
     (segid "    " and resid "23  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5619 weight  0.10000E+01 volume -0.36800E+00 ppm1      2.483 ppm2      0.924
 ASSI (
     (segid "    " and resid "25  " and name "HB1 ")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5620 weight  0.10000E+01 volume -0.71000E-01 ppm1      1.972 ppm2      4.629
 ASSI (
     (segid "    " and resid "124 " and name "HG13")
  OR 
     (segid "    " and resid "124 " and name "HG11")
  OR 
     (segid "    " and resid "26  " and name "HG13")
  OR 
     (segid "    " and resid "26  " and name "HG12")
  OR 
     (segid "    " and resid "26  " and name "HG11")
 )(
     (segid "    " and resid "125 " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5623 weight  0.10000E+01 volume  0.28760E+01 ppm1      0.930 ppm2      3.389
 ASSI (
     (segid "    " and resid "26  " and name "HB  ")
 )(
     (segid "    " and resid "26  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5625 weight  0.10000E+01 volume  0.18300E+00 ppm1      2.176 ppm2      3.389
 ASSI (
     (segid "    " and resid "26  " and name "HB  ")
 )(
     (segid "    " and resid "26  " and name "HG23")
  OR 
     (segid "    " and resid "26  " and name "HG22")
  OR 
     (segid "    " and resid "26  " and name "HG21")
 )
      3.300     3.300     0.000 peak  5624 weight  0.10000E+01 volume  0.24760E+01 ppm1      2.206 ppm2      0.861
 ASSI (
     (segid "    " and resid "26  " and name "HG23")
  OR 
     (segid "    " and resid "26  " and name "HG22")
  OR 
     (segid "    " and resid "26  " and name "HG21")
 )(
     (segid "    " and resid "26  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  5621 weight  0.10000E+01 volume  0.25140E+01 ppm1      0.830 ppm2      2.170
 ASSI (
     (segid "    " and resid "26  " and name "HG23")
  OR 
     (segid "    " and resid "26  " and name "HG22")
  OR 
     (segid "    " and resid "26  " and name "HG21")
 )(
     (segid "    " and resid "26  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5622 weight  0.10000E+01 volume  0.20830E+01 ppm1      0.830 ppm2      3.389
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
  OR 
     (segid "    " and resid "27  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5629 weight  0.10000E+01 volume -0.20220E+01 ppm1      3.110 ppm2      1.883
 ASSI (
     (segid "    " and resid "29  " and name "HD23")
  OR 
     (segid "    " and resid "29  " and name "HD22")
  OR 
     (segid "    " and resid "29  " and name "HD21")
 )(
     (segid "    " and resid "29  " and name "HG  ")
 )
      3.300     3.300     0.000 peak  5467 weight  0.10000E+01 volume  0.24090E+01 ppm1      0.767 ppm2      1.799
 ASSI (
     (segid "    " and resid "29  " and name "HG  ")
 )(
     (segid "    " and resid "29  " and name "HD13")
  OR 
     (segid "    " and resid "29  " and name "HD12")
  OR 
     (segid "    " and resid "29  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5630 weight  0.10000E+01 volume  0.14080E+01 ppm1      1.831 ppm2      0.782
 ASSI (
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD22")
  OR 
     (segid "    " and resid "30  " and name "HD21")
 )(
     (segid "    " and resid "30  " and name "HG  ")
 )
      3.300     3.300     0.000 peak  5632 weight  0.10000E+01 volume  0.20350E+01 ppm1      0.757 ppm2      1.949
 ASSI (
     (segid "    " and resid "30  " and name "HA  ")
 )(
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD22")
  OR 
     (segid "    " and resid "30  " and name "HD21")
 )
      3.300     3.300     0.000 peak  5634 weight  0.10000E+01 volume -0.21360E+01 ppm1      4.228 ppm2      0.758
 ASSI (
     (segid "    " and resid "31  " and name "HB2 ")
  OR 
     (segid "    " and resid "31  " and name "HB1 ")
 )(
     (segid "    " and resid "31  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5639 weight  0.10000E+01 volume -0.13700E+00 ppm1      3.117 ppm2      4.650
 ASSI (
     (segid "    " and resid "31  " and name "HA  ")
 )(
     (segid "    " and resid "31  " and name "HB2 ")
  OR 
     (segid "    " and resid "31  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5640 weight  0.10000E+01 volume -0.79800E+00 ppm1      4.639 ppm2      3.111
 ASSI (
     (segid "    " and resid "33  " and name "HG1 ")
 )(
     (segid "    " and resid "33  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5641 weight  0.10000E+01 volume  0.98900E+00 ppm1      2.300 ppm2      4.437
 ASSI (
     (segid "    " and resid "33  " and name "HG2 ")
 )(
     (segid "    " and resid "33  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5642 weight  0.10000E+01 volume  0.60200E+00 ppm1      2.198 ppm2      4.437
 ASSI (
     (segid "    " and resid "33  " and name "HA  ")
 )(
     (segid "    " and resid "33  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak 13062 weight  0.10000E+01 volume  0.75100E+00 ppm1      4.470 ppm2      2.229
 ASSI (
     (segid "    " and resid "34  " and name "HA  ")
 )(
     (segid "    " and resid "34  " and name "HD13")
  OR 
     (segid "    " and resid "34  " and name "HD12")
  OR 
     (segid "    " and resid "34  " and name "HD11")
 )
      5.000     5.000     0.000 peak 10249 weight  0.10000E+01 volume -0.58800E+00 ppm1      4.017 ppm2      0.939
 ASSI (
     (segid "    " and resid "34  " and name "HD23")
  OR 
     (segid "    " and resid "34  " and name "HD22")
  OR 
     (segid "    " and resid "34  " and name "HD21")
 )(
     (segid "    " and resid "34  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  5644 weight  0.10000E+01 volume  0.15280E+01 ppm1      0.848 ppm2      1.384
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "34  " and name "HD13")
  OR 
     (segid "    " and resid "34  " and name "HD12")
  OR 
     (segid "    " and resid "34  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5645 weight  0.10000E+01 volume -0.95900E+00 ppm1      1.985 ppm2      0.928
 ASSI (
     (segid "    " and resid "34  " and name "HB1 ")
 )(
     (segid "    " and resid "34  " and name "HD23")
  OR 
     (segid "    " and resid "34  " and name "HD22")
  OR 
     (segid "    " and resid "34  " and name "HD21")
 )
      5.000     5.000     0.000 peak 12862 weight  0.10000E+01 volume -0.55600E+00 ppm1      1.979 ppm2      0.857
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "34  " and name "HD13")
  OR 
     (segid "    " and resid "34  " and name "HD12")
  OR 
     (segid "    " and resid "34  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5646 weight  0.10000E+01 volume -0.86300E+00 ppm1      1.631 ppm2      0.928
 ASSI (
     (segid "    " and resid "34  " and name "HB2 ")
 )(
     (segid "    " and resid "34  " and name "HD23")
  OR 
     (segid "    " and resid "34  " and name "HD22")
  OR 
     (segid "    " and resid "34  " and name "HD21")
 )
      5.000     5.000     0.000 peak  5647 weight  0.10000E+01 volume -0.82700E+00 ppm1      1.631 ppm2      0.865
 ASSI (
     (segid "    " and resid "34  " and name "HG  ")
 )(
     (segid "    " and resid "34  " and name "HD23")
  OR 
     (segid "    " and resid "34  " and name "HD22")
  OR 
     (segid "    " and resid "34  " and name "HD21")
 )
      5.000     5.000     0.000 peak 13035 weight  0.10000E+01 volume  0.16230E+01 ppm1      1.384 ppm2      0.849
 ASSI (
     (segid "    " and resid "35  " and name "HA  ")
 )(
     (segid "    " and resid "35  " and name "HG23")
  OR 
     (segid "    " and resid "35  " and name "HG22")
  OR 
     (segid "    " and resid "35  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5649 weight  0.10000E+01 volume  0.11960E+01 ppm1      3.794 ppm2      0.927
 ASSI (
     (segid "    " and resid "35  " and name "HA  ")
 )(
     (segid "    " and resid "35  " and name "HG13")
  OR 
     (segid "    " and resid "35  " and name "HG12")
 )
      5.000     5.000     0.000 peak  5650 weight  0.10000E+01 volume  0.17390E+01 ppm1      3.794 ppm2      0.970
 ASSI (
     (segid "    " and resid "37  " and name "HA  ")
 )(
     (segid "    " and resid "37  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5652 weight  0.10000E+01 volume  0.15000E+00 ppm1      4.104 ppm2      1.691
 ASSI (
     (segid "    " and resid "37  " and name "HA  ")
 )(
     (segid "    " and resid "37  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5653 weight  0.10000E+01 volume  0.49800E+00 ppm1      4.099 ppm2      1.952
 ASSI (
     (segid "    " and resid "37  " and name "HA  ")
 )(
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD21")
 )
      5.000     5.000     0.000 peak  5654 weight  0.10000E+01 volume  0.63700E+00 ppm1      4.101 ppm2      0.767
 ASSI (
     (segid "    " and resid "38  " and name "HA  ")
 )(
     (segid "    " and resid "46  " and name "HG23")
  OR 
     (segid "    " and resid "46  " and name "HG22")
  OR 
     (segid "    " and resid "46  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5659 weight  0.10000E+01 volume -0.79300E+00 ppm1      5.154 ppm2      1.204
 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
     (segid "    " and resid "39  " and name "HB3 ")
  OR 
     (segid "    " and resid "39  " and name "HB2 ")
  OR 
     (segid "    " and resid "39  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak 10248 weight  0.10000E+01 volume -0.39910E+01 ppm1      4.049 ppm2      1.404
 ASSI (
     (segid "    " and resid "40  " and name "HD23")
  OR 
     (segid "    " and resid "40  " and name "HD22")
  OR 
     (segid "    " and resid "40  " and name "HD21")
 )(
     (segid "    " and resid "40  " and name "HG  ")
 )
      3.300     3.300     0.000 peak  5661 weight  0.10000E+01 volume  0.20530E+01 ppm1      0.673 ppm2      1.780
 ASSI (
     (segid "    " and resid "40  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )
      5.000     5.000     0.000 peak 12911 weight  0.10000E+01 volume -0.64700E+00 ppm1      4.372 ppm2      0.898
 ASSI (
     (segid "    " and resid "42  " and name "HD2 ")
  OR 
     (segid "    " and resid "42  " and name "HD1 ")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  5665 weight  0.10000E+01 volume -0.67300E+00 ppm1      2.939 ppm2      0.267
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5669 weight  0.10000E+01 volume -0.54400E+00 ppm1      4.162 ppm2      1.754
 ASSI (
     (segid "    " and resid "42  " and name "HD2 ")
  OR 
     (segid "    " and resid "42  " and name "HD1 ")
 )(
     (segid "    " and resid "42  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5667 weight  0.10000E+01 volume -0.20600E+00 ppm1      2.935 ppm2      1.952
 ASSI (
     (segid "    " and resid "45  " and name "HD1 ")
 )(
     (segid "    " and resid "45  " and name "HE2 ")
  OR 
     (segid "    " and resid "45  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak 13041 weight  0.10000E+01 volume -0.31300E+00 ppm1      1.577 ppm2      2.954
 ASSI (
     (segid "    " and resid "45  " and name "HE2 ")
  OR 
     (segid "    " and resid "45  " and name "HE1 ")
 )(
     (segid "    " and resid "50  " and name "HG13")
  OR 
     (segid "    " and resid "50  " and name "HG12")
  OR 
     (segid "    " and resid "50  " and name "HG11")
 )
      6.000     6.000     0.000 peak 13038 weight  0.10000E+01 volume -0.86000E-01 ppm1      2.960 ppm2      0.872
 ASSI (
     (segid "    " and resid "45  " and name "HE2 ")
  OR 
     (segid "    " and resid "45  " and name "HE1 ")
 )(
     (segid "    " and resid "45  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 13039 weight  0.10000E+01 volume -0.11860E+01 ppm1      2.960 ppm2      1.577
 ASSI (
     (segid "    " and resid "46  " and name "HG23")
  OR 
     (segid "    " and resid "46  " and name "HG22")
  OR 
     (segid "    " and resid "46  " and name "HG21")
 )(
     (segid "    " and resid "46  " and name "HB  ")
 )
      5.000     5.000     0.000 peak 12914 weight  0.10000E+01 volume  0.74700E+00 ppm1      1.204 ppm2      4.938
 ASSI (
     (segid "    " and resid "46  " and name "HB  ")
 )(
     (segid "    " and resid "46  " and name "HG23")
  OR 
     (segid "    " and resid "46  " and name "HG22")
  OR 
     (segid "    " and resid "46  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5672 weight  0.10000E+01 volume  0.19360E+01 ppm1      4.937 ppm2      1.198
 ASSI (
     (segid "    " and resid "47  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HB3 ")
  OR 
     (segid "    " and resid "47  " and name "HB2 ")
  OR 
     (segid "    " and resid "47  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5673 weight  0.10000E+01 volume -0.23940E+01 ppm1      4.026 ppm2      1.264
 ASSI (
     (segid "    " and resid "47  " and name "HB3 ")
  OR 
     (segid "    " and resid "47  " and name "HB2 ")
  OR 
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "62  " and name "HD13")
  OR 
     (segid "    " and resid "62  " and name "HD12")
  OR 
     (segid "    " and resid "62  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5675 weight  0.10000E+01 volume  0.68700E+00 ppm1      1.251 ppm2      0.696
 ASSI (
     (segid "    " and resid "48  " and name "HG  ")
 )(
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5678 weight  0.10000E+01 volume  0.75900E+00 ppm1      1.751 ppm2      0.845
 ASSI (
     (segid "    " and resid "48  " and name "HB2 ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )
      5.000     5.000     0.000 peak  5679 weight  0.10000E+01 volume -0.48700E+00 ppm1      1.399 ppm2      0.807
 ASSI (
     (segid "    " and resid "50  " and name "HB  ")
 )(
     (segid "    " and resid "50  " and name "HG13")
  OR 
     (segid "    " and resid "50  " and name "HG12")
  OR 
     (segid "    " and resid "50  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5687 weight  0.10000E+01 volume  0.16370E+01 ppm1      2.510 ppm2      0.858
 ASSI (
     (segid "    " and resid "50  " and name "HG23")
  OR 
     (segid "    " and resid "50  " and name "HG22")
  OR 
     (segid "    " and resid "50  " and name "HG21")
 )(
     (segid "    " and resid "19  " and name "HB3 ")
  OR 
     (segid "    " and resid "19  " and name "HB2 ")
  OR 
     (segid "    " and resid "19  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5688 weight  0.10000E+01 volume  0.75800E+00 ppm1      0.926 ppm2      1.571
 ASSI (
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )(
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5692 weight  0.10000E+01 volume  0.18700E+01 ppm1      1.692 ppm2      1.126
 ASSI (
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5693 weight  0.10000E+01 volume  0.85000E+00 ppm1      1.690 ppm2      0.937
 ASSI (
     (segid "    " and resid "52  " and name "HB1 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5700 weight  0.10000E+01 volume -0.77000E+00 ppm1      2.126 ppm2      4.261
 ASSI (
     (segid "    " and resid "52  " and name "HG2 ")
  OR 
     (segid "    " and resid "52  " and name "HG1 ")
 )(
     (segid "    " and resid "52  " and name "HA  ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5701 weight  0.10000E+01 volume -0.25400E+00 ppm1      2.559 ppm2      4.248
 ASSI (
     (segid "    " and resid "52  " and name "HA  ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "52  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5702 weight  0.10000E+01 volume -0.26400E+00 ppm1      4.255 ppm2      1.875
 ASSI (
     (segid "    " and resid "52  " and name "HA  ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5703 weight  0.10000E+01 volume -0.96200E+00 ppm1      4.255 ppm2      2.128
 ASSI (
     (segid "    " and resid "52  " and name "HA  ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (segid "    " and resid "52  " and name "HG2 ")
  OR 
     (segid "    " and resid "52  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5704 weight  0.10000E+01 volume -0.30200E+00 ppm1      4.255 ppm2      2.561
 ASSI (
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )(
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5706 weight  0.10000E+01 volume  0.12500E+00 ppm1      7.318 ppm2      1.339
 ASSI (
     (segid "    " and resid "55  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 13073 weight  0.10000E+01 volume -0.90000E-01 ppm1      5.062 ppm2      2.055
 ASSI (
     (segid "    " and resid "55  " and name "HA  ")
 )(
     (segid "    " and resid "55  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5708 weight  0.10000E+01 volume -0.40500E+00 ppm1      5.061 ppm2      3.994
 ASSI (
     (segid "    " and resid "56  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5710 weight  0.10000E+01 volume  0.66800E+00 ppm1      1.972 ppm2      4.308
 ASSI (
     (segid "    " and resid "56  " and name "HB1 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5711 weight  0.10000E+01 volume  0.90300E+00 ppm1      2.042 ppm2      4.308
 ASSI (
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )(
     (segid "    " and resid "90  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5712 weight  0.10000E+01 volume -0.32800E+00 ppm1      2.054 ppm2      2.558
 ASSI (
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )(
     (segid "    " and resid "90  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  5713 weight  0.10000E+01 volume -0.24600E+00 ppm1      2.054 ppm2      2.760
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "91  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5714 weight  0.10000E+01 volume  0.34300E+00 ppm1      4.320 ppm2      3.768
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "59  " and name "HB3 ")
  OR 
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5715 weight  0.10000E+01 volume  0.68400E+00 ppm1      4.315 ppm2      1.325
 ASSI (
     (segid "    " and resid "57  " and name "HB3 ")
  OR 
     (segid "    " and resid "57  " and name "HB2 ")
  OR 
     (segid "    " and resid "57  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      2.700     2.700     0.000 peak  5716 weight  0.10000E+01 volume -0.61080E+01 ppm1      1.445 ppm2      4.102
 ASSI (
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5717 weight  0.10000E+01 volume  0.17440E+01 ppm1      0.964 ppm2      3.442
 ASSI (
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )(
     (segid "    " and resid "58  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5718 weight  0.10000E+01 volume  0.17720E+01 ppm1      1.006 ppm2      3.432
 ASSI (
     (segid "    " and resid "83  " and name "HA  ")
  OR 
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
  OR 
     (segid "    " and resid "59  " and name "HB3 ")
  OR 
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  5719 weight  0.10000E+01 volume -0.64470E+01 ppm1      3.763 ppm2      1.344
 ASSI (
     (segid "    " and resid "60  " and name "HB1 ")
 )(
     (segid "    " and resid "57  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5721 weight  0.10000E+01 volume  0.22500E+00 ppm1      1.800 ppm2      4.118
 ASSI (
     (segid "    " and resid "60  " and name "HA  ")
 )(
     (segid "    " and resid "94  " and name "HG23")
  OR 
     (segid "    " and resid "94  " and name "HG22")
  OR 
     (segid "    " and resid "94  " and name "HG21")
 )
      5.000     5.000     0.000 peak 12893 weight  0.10000E+01 volume -0.58200E+00 ppm1      3.628 ppm2      0.968
 ASSI (
     (segid "    " and resid "62  " and name "HD23")
  OR 
     (segid "    " and resid "62  " and name "HD22")
  OR 
     (segid "    " and resid "62  " and name "HD21")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 12900 weight  0.10000E+01 volume -0.86900E+00 ppm1      0.907 ppm2      1.863
 ASSI (
     (segid "    " and resid "62  " and name "HB1 ")
 )(
     (segid "    " and resid "62  " and name "HD23")
  OR 
     (segid "    " and resid "62  " and name "HD22")
  OR 
     (segid "    " and resid "62  " and name "HD21")
 )
      5.000     5.000     0.000 peak 12901 weight  0.10000E+01 volume -0.41300E+00 ppm1      1.862 ppm2      0.912
 ASSI (
     (segid "    " and resid "62  " and name "HB2 ")
 )(
     (segid "    " and resid "62  " and name "HD23")
  OR 
     (segid "    " and resid "62  " and name "HD22")
  OR 
     (segid "    " and resid "62  " and name "HD21")
 )
      5.000     5.000     0.000 peak 12902 weight  0.10000E+01 volume -0.65400E+00 ppm1      1.182 ppm2      0.912
 ASSI (
     (segid "    " and resid "64  " and name "HE2 ")
  OR 
     (segid "    " and resid "64  " and name "HE1 ")
 )(
     (segid "    " and resid "60  " and name "HD23")
  OR 
     (segid "    " and resid "60  " and name "HD22")
  OR 
     (segid "    " and resid "60  " and name "HD21")
 )
      6.000     6.000     0.000 peak  5723 weight  0.10000E+01 volume -0.18400E+00 ppm1      2.982 ppm2      0.966
 ASSI (
     (segid "    " and resid "64  " and name "HE2 ")
  OR 
     (segid "    " and resid "64  " and name "HE1 ")
 )(
     (segid "    " and resid "60  " and name "HD13")
  OR 
     (segid "    " and resid "60  " and name "HD12")
  OR 
     (segid "    " and resid "60  " and name "HD11")
 )
      6.000     6.000     0.000 peak  5726 weight  0.10000E+01 volume -0.20900E+00 ppm1      2.982 ppm2      0.966
 ASSI (
     (segid "    " and resid "64  " and name "HE2 ")
  OR 
     (segid "    " and resid "64  " and name "HE1 ")
 )(
     (segid "    " and resid "64  " and name "HD2 ")
  OR 
     (segid "    " and resid "64  " and name "HD1 ")
 )
      3.300     3.300     0.000 peak  5724 weight  0.10000E+01 volume -0.21650E+01 ppm1      2.991 ppm2      1.701
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (segid "    " and resid "65  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5727 weight  0.10000E+01 volume -0.27600E+00 ppm1      2.040 ppm2      4.519
 ASSI (
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "65  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5728 weight  0.10000E+01 volume -0.20900E+00 ppm1      2.171 ppm2      4.519
 ASSI (
     (segid "    " and resid "65  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5729 weight  0.10000E+01 volume -0.10560E+01 ppm1      4.510 ppm2      2.046
 ASSI (
     (segid "    " and resid "65  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5730 weight  0.10000E+01 volume -0.11350E+01 ppm1      4.510 ppm2      2.171
 ASSI (
     (segid "    " and resid "67  " and name "HB3 ")
  OR 
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
 )(
     (segid "    " and resid "67  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5732 weight  0.10000E+01 volume -0.19580E+01 ppm1      1.128 ppm2      3.999
 ASSI (
     (segid "    " and resid "69  " and name "HA  ")
 )(
     (segid "    " and resid "69  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  5733 weight  0.10000E+01 volume  0.21800E+00 ppm1      4.408 ppm2      1.717
 ASSI (
     (segid "    " and resid "71  " and name "HG13")
  OR 
     (segid "    " and resid "71  " and name "HG12")
  OR 
     (segid "    " and resid "71  " and name "HG11")
 )(
     (segid "    " and resid "71  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5737 weight  0.10000E+01 volume -0.13250E+01 ppm1      0.848 ppm2      2.058
 ASSI (
     (segid "    " and resid "71  " and name "HB  ")
 )(
     (segid "    " and resid "71  " and name "HG23")
  OR 
     (segid "    " and resid "71  " and name "HG22")
  OR 
     (segid "    " and resid "71  " and name "HG21")
 )
      2.700     2.700     0.000 peak  5739 weight  0.10000E+01 volume -0.43920E+01 ppm1      2.053 ppm2      0.925
 ASSI (
     (segid "    " and resid "71  " and name "HB  ")
 )(
     (segid "    " and resid "71  " and name "HG13")
  OR 
     (segid "    " and resid "71  " and name "HG12")
  OR 
     (segid "    " and resid "71  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5740 weight  0.10000E+01 volume -0.15790E+01 ppm1      2.049 ppm2      0.850
 ASSI (
     (segid "    " and resid "71  " and name "HA  ")
 )(
     (segid "    " and resid "71  " and name "HG23")
  OR 
     (segid "    " and resid "71  " and name "HG22")
  OR 
     (segid "    " and resid "71  " and name "HG21")
 )
      3.300     3.300     0.000 peak 12844 weight  0.10000E+01 volume  0.21100E+01 ppm1      4.340 ppm2      0.911
 ASSI (
     (segid "    " and resid "71  " and name "HG23")
  OR 
     (segid "    " and resid "71  " and name "HG22")
  OR 
     (segid "    " and resid "71  " and name "HG21")
 )(
     (segid "    " and resid "46  " and name "HG23")
  OR 
     (segid "    " and resid "46  " and name "HG22")
  OR 
     (segid "    " and resid "46  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5742 weight  0.10000E+01 volume  0.60100E+00 ppm1      0.848 ppm2      1.210
 ASSI (
     (segid "    " and resid "72  " and name "HA  ")
 )(
     (segid "    " and resid "72  " and name "HG2 ")
  OR 
     (segid "    " and resid "72  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 13057 weight  0.10000E+01 volume  0.89100E+00 ppm1      4.998 ppm2      2.252
 ASSI (
     (segid "    " and resid "75  " and name "HB1 ")
 )(
     (segid "    " and resid "75  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5748 weight  0.10000E+01 volume -0.49800E+00 ppm1      4.102 ppm2      4.665
 ASSI (
     (segid "    " and resid "75  " and name "HA  ")
 )(
     (segid "    " and resid "75  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  5746 weight  0.10000E+01 volume -0.25700E+01 ppm1      4.662 ppm2      4.053
 ASSI (
     (segid "    " and resid "75  " and name "HB2 ")
 )(
     (segid "    " and resid "75  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5747 weight  0.10000E+01 volume -0.29800E+00 ppm1      4.026 ppm2      4.665
 ASSI (
     (segid "    " and resid "77  " and name "HG23")
  OR 
     (segid "    " and resid "77  " and name "HG22")
  OR 
     (segid "    " and resid "77  " and name "HG21")
 )(
     (segid "    " and resid "77  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5749 weight  0.10000E+01 volume  0.99400E+00 ppm1      1.239 ppm2      3.789
 ASSI (
     (segid "    " and resid "77  " and name "HG23")
  OR 
     (segid "    " and resid "77  " and name "HG22")
  OR 
     (segid "    " and resid "77  " and name "HG21")
 )(
     (segid "    " and resid "77  " and name "HB  ")
 )
      3.300     3.300     0.000 peak 13015 weight  0.10000E+01 volume  0.20120E+01 ppm1      1.239 ppm2      4.255
 ASSI (
     (segid "    " and resid "77  " and name "HA  ")
 )(
     (segid "    " and resid "77  " and name "HG23")
  OR 
     (segid "    " and resid "77  " and name "HG22")
  OR 
     (segid "    " and resid "77  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5750 weight  0.10000E+01 volume  0.14200E+01 ppm1      3.776 ppm2      1.231
 ASSI (
     (segid "    " and resid "77  " and name "HB  ")
 )(
     (segid "    " and resid "77  " and name "HG23")
  OR 
     (segid "    " and resid "77  " and name "HG22")
  OR 
     (segid "    " and resid "77  " and name "HG21")
 )
      3.300     3.300     0.000 peak  5751 weight  0.10000E+01 volume  0.24500E+01 ppm1      4.252 ppm2      1.231
 ASSI (
     (segid "    " and resid "78  " and name "HB2 ")
 )(
     (segid "    " and resid "79  " and name "HD2 ")
  OR 
     (segid "    " and resid "79  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 12946 weight  0.10000E+01 volume -0.52200E+00 ppm1      4.297 ppm2      4.299
 ASSI (
     (segid "    " and resid "79  " and name "HG2 ")
  OR 
     (segid "    " and resid "79  " and name "HG1 ")
 )(
     (segid "    " and resid "79  " and name "HD2 ")
  OR 
     (segid "    " and resid "79  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak 12953 weight  0.10000E+01 volume -0.12900E+00 ppm1      2.012 ppm2      4.338
 ASSI (
     (segid "    " and resid "80  " and name "HB  ")
 )(
     (segid "    " and resid "80  " and name "HG23")
  OR 
     (segid "    " and resid "80  " and name "HG22")
  OR 
     (segid "    " and resid "80  " and name "HG21")
 )
      3.300     3.300     0.000 peak  5753 weight  0.10000E+01 volume  0.24490E+01 ppm1      1.915 ppm2      0.835
 ASSI (
     (segid "    " and resid "80  " and name "HA  ")
 )(
     (segid "    " and resid "80  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5755 weight  0.10000E+01 volume  0.10910E+01 ppm1      3.691 ppm2      1.925
 ASSI (
     (segid "    " and resid "80  " and name "HB  ")
 )(
     (segid "    " and resid "80  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5754 weight  0.10000E+01 volume  0.62500E+00 ppm1      1.918 ppm2      3.692
 ASSI (
     (segid "    " and resid "80  " and name "HA  ")
 )(
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5756 weight  0.10000E+01 volume  0.63700E+00 ppm1      3.694 ppm2      1.316
 ASSI (
     (segid "    " and resid "82  " and name "HA  ")
 )(
     (segid "    " and resid "82  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 12939 weight  0.10000E+01 volume  0.26500E+00 ppm1      4.452 ppm2      2.275
 ASSI (
     (segid "    " and resid "82  " and name "HA  ")
 )(
     (segid "    " and resid "82  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 12938 weight  0.10000E+01 volume  0.35600E+00 ppm1      4.452 ppm2      1.950
 ASSI (
     (segid "    " and resid "83  " and name "HA  ")
 )(
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  5758 weight  0.10000E+01 volume -0.56820E+01 ppm1      3.834 ppm2      1.332
 ASSI (
     (segid "    " and resid "84  " and name "HA  ")
 )(
     (segid "    " and resid "84  " and name "HB3 ")
  OR 
     (segid "    " and resid "84  " and name "HB2 ")
  OR 
     (segid "    " and resid "84  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5760 weight  0.10000E+01 volume -0.24330E+01 ppm1      3.991 ppm2      1.455
 ASSI (
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )(
     (segid "    " and resid "89  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  5766 weight  0.10000E+01 volume  0.76100E+00 ppm1      0.608 ppm2      1.301
 ASSI (
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )(
     (segid "    " and resid "89  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5767 weight  0.10000E+01 volume -0.31300E+00 ppm1      0.609 ppm2      1.265
 ASSI (
     (segid "    " and resid "89  " and name "HB1 ")
 )(
     (segid "    " and resid "89  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5769 weight  0.10000E+01 volume  0.63700E+00 ppm1      1.827 ppm2      1.229
 ASSI (
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
 )(
     (segid "    " and resid "89  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  5768 weight  0.10000E+01 volume  0.98500E+00 ppm1      0.826 ppm2      1.301
 ASSI (
     (segid "    " and resid "89  " and name "HA  ")
 )(
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
 )
      6.000     6.000     0.000 peak  5771 weight  0.10000E+01 volume -0.19700E+00 ppm1      3.727 ppm2      0.964
 ASSI (
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
 )(
     (segid "    " and resid "93  " and name "HE2 ")
 )
      5.000     5.000     0.000 peak  5772 weight  0.10000E+01 volume -0.31700E+00 ppm1      0.833 ppm2      2.585
 ASSI (
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )(
     (segid "    " and resid "124 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5773 weight  0.10000E+01 volume  0.75300E+00 ppm1      0.605 ppm2      3.747
 ASSI (
     (segid "    " and resid "91  " and name "HA  ")
 )(
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )
      3.300     3.300     0.000 peak  5531 weight  0.10000E+01 volume  0.26260E+01 ppm1      3.764 ppm2      1.134
 ASSI (
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )(
     (segid "    " and resid "91  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5775 weight  0.10000E+01 volume  0.21920E+01 ppm1      1.132 ppm2      3.761
 ASSI (
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )(
     (segid "    " and resid "91  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5776 weight  0.10000E+01 volume  0.14220E+01 ppm1      1.135 ppm2      4.215
 ASSI (
     (segid "    " and resid "91  " and name "HB  ")
 )(
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )
      5.000     5.000     0.000 peak  5777 weight  0.10000E+01 volume  0.19680E+01 ppm1      4.209 ppm2      1.140
 ASSI (
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
 )(
     (segid "    " and resid "92  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  5779 weight  0.10000E+01 volume  0.82400E+00 ppm1      0.955 ppm2      1.635
 ASSI (
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
 )(
     (segid "    " and resid "92  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5780 weight  0.10000E+01 volume -0.60200E+00 ppm1      0.955 ppm2      1.372
 ASSI (
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
 )(
     (segid "    " and resid "92  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  5781 weight  0.10000E+01 volume -0.84100E+00 ppm1      0.959 ppm2      2.100
 ASSI (
     (segid "    " and resid "92  " and name "HA  ")
 )(
     (segid "    " and resid "92  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 13009 weight  0.10000E+01 volume  0.28800E+00 ppm1      3.890 ppm2      1.367
 ASSI (
     (segid "    " and resid "92  " and name "HG  ")
 )(
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
 )
      5.000     5.000     0.000 peak  5778 weight  0.10000E+01 volume  0.11830E+01 ppm1      1.635 ppm2      0.952
 ASSI (
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
 )(
     (segid "    " and resid "124 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5783 weight  0.10000E+01 volume  0.34000E+00 ppm1      0.955 ppm2      3.762
 ASSI (
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
 )(
     (segid "    " and resid "92  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5782 weight  0.10000E+01 volume -0.39000E+00 ppm1      0.937 ppm2      3.907
 ASSI (
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
 )(
     (segid "    " and resid "127 " and name "HE2 ")
  OR 
     (segid "    " and resid "127 " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  5787 weight  0.10000E+01 volume  0.18200E+00 ppm1      0.958 ppm2      7.211
 ASSI (
     (segid "    " and resid "93  " and name "HG1 ")
 )(
     (segid "    " and resid "93  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak 13050 weight  0.10000E+01 volume -0.92000E-01 ppm1      1.089 ppm2      2.704
 ASSI (
     (segid "    " and resid "93  " and name "HA  ")
 )(
     (segid "    " and resid "93  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  5793 weight  0.10000E+01 volume  0.37900E+00 ppm1      3.714 ppm2      0.637
 ASSI (
     (segid "    " and resid "93  " and name "HA  ")
 )(
     (segid "    " and resid "93  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  5794 weight  0.10000E+01 volume  0.29600E+00 ppm1      3.714 ppm2      1.077
 ASSI (
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )(
     (segid "    " and resid "93  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak 13043 weight  0.10000E+01 volume -0.91800E+00 ppm1      1.453 ppm2      2.760
 ASSI (
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )(
     (segid "    " and resid "93  " and name "HE2 ")
 )
      5.000     5.000     0.000 peak 13044 weight  0.10000E+01 volume -0.12240E+01 ppm1      1.453 ppm2      2.577
 ASSI (
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )(
     (segid "    " and resid "93  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5791 weight  0.10000E+01 volume  0.78400E+00 ppm1      1.446 ppm2      1.080
 ASSI (
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )(
     (segid "    " and resid "93  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  5792 weight  0.10000E+01 volume  0.65600E+00 ppm1      1.454 ppm2      0.655
 ASSI (
     (segid "    " and resid "93  " and name "HE2 ")
  OR 
     (segid "    " and resid "93  " and name "HE1 ")
 )(
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 13045 weight  0.10000E+01 volume -0.62700E+00 ppm1      2.739 ppm2      1.461
 ASSI (
     (segid "    " and resid "93  " and name "HE2 ")
 )(
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 13046 weight  0.10000E+01 volume -0.12190E+01 ppm1      2.591 ppm2      1.461
 ASSI (
     (segid "    " and resid "93  " and name "HG1 ")
 )(
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 13052 weight  0.10000E+01 volume  0.63500E+00 ppm1      1.085 ppm2      1.455
 ASSI (
     (segid "    " and resid "93  " and name "HG2 ")
 )(
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 13051 weight  0.10000E+01 volume  0.35700E+00 ppm1      0.631 ppm2      1.455
 ASSI (
     (segid "    " and resid "94  " and name "HG13")
  OR 
     (segid "    " and resid "94  " and name "HG12")
  OR 
     (segid "    " and resid "94  " and name "HG11")
 )(
     (segid "    " and resid "94  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5801 weight  0.10000E+01 volume  0.13300E+01 ppm1      1.194 ppm2      2.271
 ASSI (
     (segid "    " and resid "94  " and name "HB  ")
 )(
     (segid "    " and resid "94  " and name "HG13")
  OR 
     (segid "    " and resid "94  " and name "HG12")
  OR 
     (segid "    " and resid "94  " and name "HG11")
 )
      3.300     3.300     0.000 peak 13025 weight  0.10000E+01 volume  0.23220E+01 ppm1      2.271 ppm2      1.193
 ASSI (
     (segid "    " and resid "94  " and name "HA  ")
 )(
     (segid "    " and resid "94  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5804 weight  0.10000E+01 volume  0.65500E+00 ppm1      4.043 ppm2      2.274
 ASSI (
     (segid "    " and resid "94  " and name "HA  ")
 )(
     (segid "    " and resid "94  " and name "HG23")
  OR 
     (segid "    " and resid "94  " and name "HG22")
  OR 
     (segid "    " and resid "94  " and name "HG21")
 )
      5.000     5.000     0.000 peak 12928 weight  0.10000E+01 volume  0.14870E+01 ppm1      4.046 ppm2      0.964
 ASSI (
     (segid "    " and resid "94  " and name "HA  ")
 )(
     (segid "    " and resid "94  " and name "HG13")
  OR 
     (segid "    " and resid "94  " and name "HG12")
  OR 
     (segid "    " and resid "94  " and name "HG11")
 )
      5.000     5.000     0.000 peak  5805 weight  0.10000E+01 volume  0.18890E+01 ppm1      4.040 ppm2      1.195
 ASSI (
     (segid "    " and resid "94  " and name "HG23")
  OR 
     (segid "    " and resid "94  " and name "HG22")
  OR 
     (segid "    " and resid "94  " and name "HG21")
 )(
     (segid "    " and resid "94  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5800 weight  0.10000E+01 volume  0.13430E+01 ppm1      0.974 ppm2      4.048
 ASSI (
     (segid "    " and resid "94  " and name "HG13")
  OR 
     (segid "    " and resid "94  " and name "HG12")
  OR 
     (segid "    " and resid "94  " and name "HG11")
 )(
     (segid "    " and resid "94  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5802 weight  0.10000E+01 volume  0.15790E+01 ppm1      1.199 ppm2      4.043
 ASSI (
     (segid "    " and resid "94  " and name "HB  ")
 )(
     (segid "    " and resid "94  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5803 weight  0.10000E+01 volume  0.52900E+00 ppm1      2.271 ppm2      4.048
 ASSI (
     (segid "    " and resid "94  " and name "HA  ")
 )(
     (segid "    " and resid "97  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 12930 weight  0.10000E+01 volume  0.41400E+00 ppm1      4.046 ppm2      2.028
 ASSI (
     (segid "    " and resid "96  " and name "HG23")
  OR 
     (segid "    " and resid "96  " and name "HG22")
  OR 
     (segid "    " and resid "96  " and name "HG21")
 )(
     (segid "    " and resid "96  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5810 weight  0.10000E+01 volume  0.16100E+01 ppm1      1.128 ppm2      2.326
 ASSI (
     (segid "    " and resid "96  " and name "HG13")
  OR 
     (segid "    " and resid "96  " and name "HG12")
  OR 
     (segid "    " and resid "96  " and name "HG11")
 )(
     (segid "    " and resid "96  " and name "HA  ")
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      3.300     3.300     0.000 peak  5807 weight  0.10000E+01 volume  0.23840E+01 ppm1      1.124 ppm2      3.764
 ASSI (
     (segid "    " and resid "96  " and name "HG23")
  OR 
     (segid "    " and resid "96  " and name "HG22")
  OR 
     (segid "    " and resid "96  " and name "HG21")
 )(
     (segid "    " and resid "96  " and name "HA  ")
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      3.300     3.300     0.000 peak  5809 weight  0.10000E+01 volume  0.25010E+01 ppm1      1.130 ppm2      3.761
 ASSI (
     (segid "    " and resid "96  " and name "HB  ")
 )(
     (segid "    " and resid "96  " and name "HA  ")
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      6.000     6.000     0.000 peak  5811 weight  0.10000E+01 volume  0.26200E+00 ppm1      2.323 ppm2      3.772
 ASSI (
     (segid "    " and resid "96  " and name "HA  ")
 )(
     (segid "    " and resid "96  " and name "HG23")
  OR 
     (segid "    " and resid "96  " and name "HG22")
  OR 
     (segid "    " and resid "96  " and name "HG21")
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      3.300     3.300     0.000 peak 12984 weight  0.10000E+01 volume  0.28840E+01 ppm1      3.765 ppm2      1.129
 ASSI (
     (segid "    " and resid "96  " and name "HG23")
  OR 
     (segid "    " and resid "96  " and name "HG22")
  OR 
     (segid "    " and resid "96  " and name "HG21")
 )(
     (segid "    " and resid "96  " and name "HB  ")
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      5.000     5.000     0.000 peak  5808 weight  0.10000E+01 volume  0.19520E+01 ppm1      1.124 ppm2      2.332
 ASSI (
     (segid "    " and resid "97  " and name "HB2 ")
 )(
     (segid "    " and resid "97  " and name "HA  ")
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      5.000     5.000     0.000 peak  5813 weight  0.10000E+01 volume -0.74500E+00 ppm1      2.021 ppm2      4.099
 ASSI (
     (segid "    " and resid "100 " and name "HB3 ")
  OR 
     (segid "    " and resid "100 " and name "HB2 ")
  OR 
     (segid "    " and resid "100 " and name "HB1 ")
 )(
     (segid "    " and resid "100 " and name "HA  ")
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      5.000     5.000     0.000 peak  5818 weight  0.10000E+01 volume -0.17290E+01 ppm1      1.133 ppm2      4.224
 ASSI (
     (segid "    " and resid "100 " and name "HA  ")
 )(
     (segid "    " and resid "100 " and name "HB3 ")
  OR 
     (segid "    " and resid "100 " and name "HB2 ")
  OR 
     (segid "    " and resid "100 " and name "HB1 ")
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      3.300     3.300     0.000 peak  5819 weight  0.10000E+01 volume -0.25030E+01 ppm1      4.232 ppm2      1.119
 ASSI (
     (segid "    " and resid "102 " and name "HB  ")
 )(
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  OR 
     (segid "    " and resid "102 " and name "HG22")
  OR 
     (segid "    " and resid "102 " and name "HG21")
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      5.000     5.000     0.000 peak  5822 weight  0.10000E+01 volume  0.15660E+01 ppm1      2.211 ppm2      0.861
 ASSI (
     (segid "    " and resid "102 " and name "HG13")
  OR 
     (segid "    " and resid "102 " and name "HG12")
  OR 
     (segid "    " and resid "102 " and name "HG11")
 )(
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      5.000     5.000     0.000 peak  5825 weight  0.10000E+01 volume  0.61200E+00 ppm1      0.864 ppm2      1.490
 ASSI (
     (segid "    " and resid "102 " and name "HA  ")
 )(
     (segid "    " and resid "102 " and name "HB  ")
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      5.000     5.000     0.000 peak  5823 weight  0.10000E+01 volume  0.10810E+01 ppm1      3.895 ppm2      2.203
 ASSI (
     (segid "    " and resid "105 " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "111 " and name "HD22")
  OR 
     (segid "    " and resid "111 " and name "HD21")
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      6.000     6.000     0.000 peak  5838 weight  0.10000E+01 volume -0.10300E+00 ppm1      4.929 ppm2      0.974
 ASSI (
     (segid "    " and resid "105 " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "105 " and name "HD12")
  OR 
     (segid "    " and resid "105 " and name "HD11")
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      6.000     6.000     0.000 peak  5834 weight  0.10000E+01 volume -0.19700E+00 ppm1      4.931 ppm2      0.848
 ASSI (
     (segid "    " and resid "105 " and name "HB1 ")
 )(
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  OR 
     (segid "    " and resid "105 " and name "HD12")
  OR 
     (segid "    " and resid "105 " and name "HD11")
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      5.000     5.000     0.000 peak  5832 weight  0.10000E+01 volume -0.84600E+00 ppm1      1.822 ppm2      0.851
 ASSI (
     (segid "    " and resid "105 " and name "HD23")
  OR 
     (segid "    " and resid "105 " and name "HD22")
  OR 
     (segid "    " and resid "105 " and name "HD21")
 )(
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  OR 
     (segid "    " and resid "105 " and name "HD12")
  OR 
     (segid "    " and resid "105 " and name "HD11")
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      3.300     3.300     0.000 peak  5830 weight  0.10000E+01 volume  0.26090E+01 ppm1      0.399 ppm2      0.836
 ASSI (
     (segid "    " and resid "108 " and name "HG23")
  OR 
     (segid "    " and resid "108 " and name "HG22")
  OR 
     (segid "    " and resid "108 " and name "HG21")
 )(
     (segid "    " and resid "108 " and name "HA  ")
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      5.000     5.000     0.000 peak  5842 weight  0.10000E+01 volume  0.55100E+00 ppm1      1.153 ppm2      4.627
 ASSI (
     (segid "    " and resid "108 " and name "HG23")
  OR 
     (segid "    " and resid "108 " and name "HG22")
  OR 
     (segid "    " and resid "108 " and name "HG21")
 )(
     (segid "    " and resid "108 " and name "HB  ")
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      5.000     5.000     0.000 peak  5841 weight  0.10000E+01 volume  0.17700E+01 ppm1      1.153 ppm2      4.559
 ASSI (
     (segid "    " and resid "108 " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "139 " and name "HB2 ")
  OR 
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      5.000     5.000     0.000 peak  5845 weight  0.10000E+01 volume  0.11350E+01 ppm1      4.619 ppm2      1.404
 ASSI (
     (segid "    " and resid "108 " and name "HA  ")
 )(
     (segid "    " and resid "108 " and name "HG23")
  OR 
     (segid "    " and resid "108 " and name "HG22")
  OR 
     (segid "    " and resid "108 " and name "HG21")
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      3.300     3.300     0.000 peak  5844 weight  0.10000E+01 volume  0.22320E+01 ppm1      4.617 ppm2      1.154
 ASSI (
     (segid "    " and resid "112 " and name "HG1 ")
 )(
     (segid "    " and resid "112 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak 12976 weight  0.10000E+01 volume -0.60000E-01 ppm1      1.811 ppm2      3.924
 ASSI (
     (segid "    " and resid "112 " and name "HA  ")
 )(
     (segid "    " and resid "84  " and name "HB3 ")
  OR 
     (segid "    " and resid "84  " and name "HB2 ")
  OR 
     (segid "    " and resid "84  " and name "HB1 ")
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      5.000     5.000     0.000 peak 12958 weight  0.10000E+01 volume  0.36300E+00 ppm1      4.143 ppm2      1.461
 ASSI (
     (segid "    " and resid "112 " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "115 " and name "HD12")
  OR 
     (segid "    " and resid "115 " and name "HD11")
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 ASSI (
     (segid "    " and resid "113 " and name "HD13")
  OR 
     (segid "    " and resid "113 " and name "HD12")
  OR 
     (segid "    " and resid "113 " and name "HD11")
 )(
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  OR 
     (segid "    " and resid "128 " and name "HD12")
  OR 
     (segid "    " and resid "128 " and name "HD11")
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      5.000     5.000     0.000 peak  5848 weight  0.10000E+01 volume  0.70900E+00 ppm1      0.738 ppm2      0.699
 ASSI (
     (segid "    " and resid "113 " and name "HD13")
  OR 
     (segid "    " and resid "113 " and name "HD12")
  OR 
     (segid "    " and resid "113 " and name "HD11")
 )(
     (segid "    " and resid "113 " and name "HB  ")
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      5.000     5.000     0.000 peak  5851 weight  0.10000E+01 volume -0.43200E+00 ppm1      0.742 ppm2      1.747
 ASSI (
     (segid "    " and resid "113 " and name "HG11")
 )(
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  OR 
     (segid "    " and resid "113 " and name "HD12")
  OR 
     (segid "    " and resid "113 " and name "HD11")
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      6.000     6.000     0.000 peak  5853 weight  0.10000E+01 volume  0.27000E+00 ppm1      1.459 ppm2      0.749
 ASSI (
     (segid "    " and resid "113 " and name "HA  ")
 )(
     (segid "    " and resid "116 " and name "HB3 ")
  OR 
     (segid "    " and resid "116 " and name "HB2 ")
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     (segid "    " and resid "116 " and name "HB1 ")
  OR 
     (segid "    " and resid "84  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 12957 weight  0.10000E+01 volume  0.50100E+00 ppm1      3.813 ppm2      1.481
 ASSI (
     (segid "    " and resid "113 " and name "HD13")
  OR 
     (segid "    " and resid "113 " and name "HD12")
  OR 
     (segid "    " and resid "113 " and name "HD11")
 )(
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  OR 
     (segid "    " and resid "128 " and name "HA  ")
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      6.000     6.000     0.000 peak  5859 weight  0.10000E+01 volume -0.16100E+00 ppm1      0.742 ppm2      3.845
 ASSI (
     (segid "    " and resid "113 " and name "HD13")
  OR 
     (segid "    " and resid "113 " and name "HD12")
  OR 
     (segid "    " and resid "113 " and name "HD11")
 )(
     (segid "    " and resid "129 " and name "HA  ")
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      5.000     5.000     0.000 peak  5860 weight  0.10000E+01 volume -0.93500E+00 ppm1      0.742 ppm2      3.777
 ASSI (
     (segid "    " and resid "113 " and name "HG23")
  OR 
     (segid "    " and resid "113 " and name "HG22")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )(
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  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
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      5.000     5.000     0.000 peak 12974 weight  0.10000E+01 volume  0.70900E+00 ppm1      0.749 ppm2      1.190
 ASSI (
     (segid "    " and resid "114 " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "117 " and name "HD12")
  OR 
     (segid "    " and resid "117 " and name "HD11")
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      5.000     5.000     0.000 peak  5863 weight  0.10000E+01 volume  0.10290E+01 ppm1      3.983 ppm2      0.891
 ASSI (
     (segid "    " and resid "115 " and name "HD23")
  OR 
     (segid "    " and resid "115 " and name "HD22")
  OR 
     (segid "    " and resid "115 " and name "HD21")
 )(
     (segid "    " and resid "115 " and name "HG  ")
 )
      5.000     5.000     0.000 peak 13021 weight  0.10000E+01 volume  0.15860E+01 ppm1      0.961 ppm2      2.022
 ASSI (
     (segid "    " and resid "115 " and name "HD13")
  OR 
     (segid "    " and resid "115 " and name "HD12")
  OR 
     (segid "    " and resid "115 " and name "HD11")
 )(
     (segid "    " and resid "115 " and name "HG  ")
 )
      5.000     5.000     0.000 peak 12961 weight  0.10000E+01 volume  0.13960E+01 ppm1      1.213 ppm2      2.020
 ASSI (
     (segid "    " and resid "115 " and name "HD23")
  OR 
     (segid "    " and resid "115 " and name "HD22")
  OR 
     (segid "    " and resid "115 " and name "HD21")
 )(
     (segid "    " and resid "115 " and name "HB1 ")
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      5.000     5.000     0.000 peak 12891 weight  0.10000E+01 volume -0.54400E+00 ppm1      0.968 ppm2      2.195
 ASSI (
     (segid "    " and resid "115 " and name "HA  ")
 )(
     (segid "    " and resid "118 " and name "HB2 ")
  OR 
     (segid "    " and resid "118 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 12895 weight  0.10000E+01 volume -0.42200E+00 ppm1      4.062 ppm2      2.056
 ASSI (
     (segid "    " and resid "115 " and name "HA  ")
 )(
     (segid "    " and resid "115 " and name "HD23")
  OR 
     (segid "    " and resid "115 " and name "HD22")
  OR 
     (segid "    " and resid "115 " and name "HD21")
 )
      3.300     3.300     0.000 peak 12894 weight  0.10000E+01 volume -0.20460E+01 ppm1      4.062 ppm2      0.968
 ASSI (
     (segid "    " and resid "115 " and name "HB1 ")
 )(
     (segid "    " and resid "115 " and name "HD23")
  OR 
     (segid "    " and resid "115 " and name "HD22")
  OR 
     (segid "    " and resid "115 " and name "HD21")
 )
      5.000     5.000     0.000 peak 12890 weight  0.10000E+01 volume -0.44600E+00 ppm1      2.213 ppm2      0.961
 ASSI (
     (segid "    " and resid "115 " and name "HG  ")
 )(
     (segid "    " and resid "115 " and name "HD23")
  OR 
     (segid "    " and resid "115 " and name "HD22")
  OR 
     (segid "    " and resid "115 " and name "HD21")
 )
      5.000     5.000     0.000 peak 12970 weight  0.10000E+01 volume  0.16440E+01 ppm1      2.027 ppm2      0.943
 ASSI (
     (segid "    " and resid "115 " and name "HG  ")
 )(
     (segid "    " and resid "115 " and name "HD13")
  OR 
     (segid "    " and resid "115 " and name "HD12")
  OR 
     (segid "    " and resid "115 " and name "HD11")
 )
      5.000     5.000     0.000 peak 12971 weight  0.10000E+01 volume  0.67800E+00 ppm1      2.022 ppm2      1.228
 ASSI (
     (segid "    " and resid "117 " and name "HA  ")
 )(
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  OR 
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  OR 
     (segid "    " and resid "117 " and name "HG21")
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      5.000     5.000     0.000 peak  5869 weight  0.10000E+01 volume  0.68600E+00 ppm1      3.515 ppm2      0.792
 ASSI (
     (segid "    " and resid "117 " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "125 " and name "HG12")
  OR 
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      6.000     6.000     0.000 peak 12989 weight  0.10000E+01 volume  0.21000E+00 ppm1      3.521 ppm2      0.992
 ASSI (
     (segid "    " and resid "118 " and name "HG1 ")
 )(
     (segid "    " and resid "118 " and name "HD1 ")
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      3.300     3.300     0.000 peak 12954 weight  0.10000E+01 volume -0.20370E+01 ppm1      1.936 ppm2      3.273
 ASSI (
     (segid "    " and resid "118 " and name "HB2 ")
  OR 
     (segid "    " and resid "118 " and name "HB1 ")
 )(
     (segid "    " and resid "118 " and name "HA  ")
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      5.000     5.000     0.000 peak  5876 weight  0.10000E+01 volume  0.93700E+00 ppm1      2.073 ppm2      3.697
 ASSI (
     (segid "    " and resid "118 " and name "HB2 ")
  OR 
     (segid "    " and resid "118 " and name "HB1 ")
 )(
     (segid "    " and resid "118 " and name "HD2 ")
  OR 
     (segid "    " and resid "118 " and name "HD1 ")
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      5.000     5.000     0.000 peak  5877 weight  0.10000E+01 volume -0.13360E+01 ppm1      2.048 ppm2      3.268
 ASSI (
     (segid "    " and resid "118 " and name "HA  ")
 )(
     (segid "    " and resid "118 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 13022 weight  0.10000E+01 volume  0.60200E+00 ppm1      3.689 ppm2      1.951
 ASSI (
     (segid "    " and resid "118 " and name "HA  ")
 )(
     (segid "    " and resid "118 " and name "HB2 ")
  OR 
     (segid "    " and resid "118 " and name "HB1 ")
 )
      3.300     3.300     0.000 peak 13023 weight  0.10000E+01 volume  0.20230E+01 ppm1      3.682 ppm2      2.035
 ASSI (
     (segid "    " and resid "118 " and name "HA  ")
 )(
     (segid "    " and resid "118 " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  5878 weight  0.10000E+01 volume  0.49800E+00 ppm1      3.676 ppm2      1.648
 ASSI (
     (segid "    " and resid "123 " and name "HB2 ")
  OR 
     (segid "    " and resid "123 " and name "HB1 ")
 )(
     (segid "    " and resid "123 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5879 weight  0.10000E+01 volume  0.19340E+01 ppm1      4.001 ppm2      4.336
 ASSI (
     (segid "    " and resid "123 " and name "HB2 ")
  OR 
     (segid "    " and resid "123 " and name "HB1 ")
 )(
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  OR 
     (segid "    " and resid "89  " and name "HD11")
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      5.000     5.000     0.000 peak  5880 weight  0.10000E+01 volume  0.99600E+00 ppm1      3.996 ppm2      0.837
 ASSI (
     (segid "    " and resid "125 " and name "HG13")
  OR 
     (segid "    " and resid "125 " and name "HG12")
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     (segid "    " and resid "14  " and name "HD21")
 )(
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  OR 
     (segid "    " and resid "26  " and name "HA  ")
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      3.300     3.300     0.000 peak  5882 weight  0.10000E+01 volume  0.20730E+01 ppm1      0.975 ppm2      3.389
 ASSI (
     (segid "    " and resid "125 " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "125 " and name "HG22")
  OR 
     (segid "    " and resid "125 " and name "HG21")
 )
      3.300     3.300     0.000 peak 12982 weight  0.10000E+01 volume  0.20120E+01 ppm1      3.373 ppm2      0.869
 ASSI (
     (segid "    " and resid "125 " and name "HG23")
  OR 
     (segid "    " and resid "125 " and name "HG22")
  OR 
     (segid "    " and resid "125 " and name "HG21")
 )(
     (segid "    " and resid "125 " and name "HA  ")
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      5.000     5.000     0.000 peak  5881 weight  0.10000E+01 volume  0.17010E+01 ppm1      0.885 ppm2      3.389
 ASSI (
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )(
     (segid "    " and resid "127 " and name "HA  ")
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      6.000     6.000     0.000 peak  5884 weight  0.10000E+01 volume  0.15700E+00 ppm1      7.138 ppm2      4.300
 ASSI (
     (segid "    " and resid "127 " and name "HB2 ")
 )(
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  5885 weight  0.10000E+01 volume -0.78000E-01 ppm1      2.967 ppm2      7.135
 ASSI (
     (segid "    " and resid "127 " and name "HB1 ")
 )(
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
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      6.000     6.000     0.000 peak  5886 weight  0.10000E+01 volume -0.68000E-01 ppm1      3.428 ppm2      7.135
 ASSI (
     (segid "    " and resid "127 " and name "HA  ")
 )(
     (segid "    " and resid "127 " and name "HB1 ")
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      5.000     5.000     0.000 peak 12845 weight  0.10000E+01 volume -0.47100E+00 ppm1      4.299 ppm2      3.421
 ASSI (
     (segid "    " and resid "127 " and name "HA  ")
 )(
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
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      6.000     6.000     0.000 peak  5887 weight  0.10000E+01 volume  0.23800E+00 ppm1      4.306 ppm2      7.143
 ASSI (
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )(
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  OR 
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      6.000     6.000     0.000 peak  5890 weight  0.10000E+01 volume  0.18600E+00 ppm1      7.138 ppm2      0.907
 ASSI (
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 )(
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     (segid "    " and resid "129 " and name "HB1 ")
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      5.000     5.000     0.000 peak  5895 weight  0.10000E+01 volume -0.13240E+01 ppm1      3.764 ppm2      1.132
 ASSI (
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
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  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "159 " and name "HG21")
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      5.000     5.000     0.000 peak  5896 weight  0.10000E+01 volume  0.70600E+00 ppm1      1.130 ppm2      0.897
 ASSI (
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
 )(
     (segid "    " and resid "129 " and name "HA  ")
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      5.000     5.000     0.000 peak  5894 weight  0.10000E+01 volume -0.15460E+01 ppm1      1.128 ppm2      3.768
 ASSI (
     (segid "    " and resid "130 " and name "HB2 ")
 )(
     (segid "    " and resid "130 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5898 weight  0.10000E+01 volume  0.40800E+00 ppm1      1.889 ppm2      4.184
 ASSI (
     (segid "    " and resid "130 " and name "HB1 ")
 )(
     (segid "    " and resid "130 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 12877 weight  0.10000E+01 volume  0.66200E+00 ppm1      2.279 ppm2      4.166
 ASSI (
     (segid "    " and resid "130 " and name "HB1 ")
 )(
     (segid "    " and resid "130 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 12921 weight  0.10000E+01 volume  0.77300E+00 ppm1      2.281 ppm2      1.909
 ASSI (
     (segid "    " and resid "131 " and name "HB1 ")
 )(
     (segid "    " and resid "131 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 12880 weight  0.10000E+01 volume -0.41000E+00 ppm1      2.299 ppm2      4.528
 ASSI (
     (segid "    " and resid "131 " and name "HB1 ")
 )(
     (segid "    " and resid "131 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 13026 weight  0.10000E+01 volume  0.76900E+00 ppm1      2.271 ppm2      1.459
 ASSI (
     (segid "    " and resid "131 " and name "HA  ")
 )(
     (segid "    " and resid "131 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 12883 weight  0.10000E+01 volume -0.88400E+00 ppm1      4.548 ppm2      2.285
 ASSI (
     (segid "    " and resid "134 " and name "HD23")
  OR 
     (segid "    " and resid "134 " and name "HD22")
  OR 
     (segid "    " and resid "134 " and name "HD21")
 )(
     (segid "    " and resid "134 " and name "HB2 ")
  OR 
     (segid "    " and resid "134 " and name "HB1 ")
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      5.000     5.000     0.000 peak  5903 weight  0.10000E+01 volume -0.50700E+00 ppm1      0.691 ppm2      1.631
 ASSI (
     (segid "    " and resid "134 " and name "HD23")
  OR 
     (segid "    " and resid "134 " and name "HD22")
  OR 
     (segid "    " and resid "134 " and name "HD21")
 )(
     (segid "    " and resid "134 " and name "HA  ")
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      5.000     5.000     0.000 peak  5904 weight  0.10000E+01 volume -0.94800E+00 ppm1      0.695 ppm2      3.876
 ASSI (
     (segid "    " and resid "137 " and name "HA  ")
 )(
     (segid "    " and resid "137 " and name "HG2 ")
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      5.000     5.000     0.000 peak 12887 weight  0.10000E+01 volume -0.38600E+00 ppm1      4.223 ppm2      1.443
 ASSI (
     (segid "    " and resid "139 " and name "HB3 ")
  OR 
     (segid "    " and resid "139 " and name "HB2 ")
  OR 
     (segid "    " and resid "139 " and name "HB1 ")
 )(
     (segid "    " and resid "139 " and name "HA  ")
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      2.700     2.700     0.000 peak  5910 weight  0.10000E+01 volume -0.65550E+01 ppm1      1.399 ppm2      4.137
 ASSI (
     (segid "    " and resid "139 " and name "HA  ")
 )(
     (segid "    " and resid "139 " and name "HB3 ")
  OR 
     (segid "    " and resid "139 " and name "HB2 ")
  OR 
     (segid "    " and resid "139 " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  5911 weight  0.10000E+01 volume -0.11219E+02 ppm1      4.122 ppm2      1.407
 ASSI (
     (segid "    " and resid "140 " and name "HA  ")
 )(
     (segid "    " and resid "140 " and name "HB2 ")
 )
      3.300     3.300     0.000 peak 12940 weight  0.10000E+01 volume -0.28210E+01 ppm1      4.504 ppm2      3.915
 ASSI (
     (segid "    " and resid "140 " and name "HB1 ")
 )(
     (segid "    " and resid "140 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5912 weight  0.10000E+01 volume -0.55400E+00 ppm1      4.107 ppm2      4.525
 ASSI (
     (segid "    " and resid "142 " and name "HD22")
  OR 
     (segid "    " and resid "142 " and name "HD21")
 )(
     (segid "    " and resid "142 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5914 weight  0.10000E+01 volume -0.99600E+00 ppm1      0.750 ppm2      4.983
 ASSI (
     (segid "    " and resid "142 " and name "HD13")
  OR 
     (segid "    " and resid "142 " and name "HD12")
  OR 
     (segid "    " and resid "142 " and name "HD11")
 )(
     (segid "    " and resid "142 " and name "HA  ")
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 ASSI (
     (segid "    " and resid "142 " and name "HD23")
  OR 
     (segid "    " and resid "142 " and name "HD22")
  OR 
     (segid "    " and resid "142 " and name "HD21")
 )(
     (segid "    " and resid "142 " and name "HG  ")
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 ASSI (
     (segid "    " and resid "142 " and name "HB1 ")
 )(
     (segid "    " and resid "142 " and name "HD23")
  OR 
     (segid "    " and resid "142 " and name "HD22")
  OR 
     (segid "    " and resid "142 " and name "HD21")
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      5.000     5.000     0.000 peak  5918 weight  0.10000E+01 volume -0.64600E+00 ppm1      2.046 ppm2      0.775
 ASSI (
     (segid "    " and resid "142 " and name "HB2 ")
 )(
     (segid "    " and resid "142 " and name "HD23")
  OR 
     (segid "    " and resid "142 " and name "HD22")
  OR 
     (segid "    " and resid "142 " and name "HD21")
 )
      5.000     5.000     0.000 peak  5919 weight  0.10000E+01 volume -0.11720E+01 ppm1      1.337 ppm2      0.754
 ASSI (
     (segid "    " and resid "142 " and name "HB2 ")
 )(
     (segid "    " and resid "142 " and name "HD13")
  OR 
     (segid "    " and resid "142 " and name "HD12")
  OR 
     (segid "    " and resid "142 " and name "HD11")
 )
      5.000     5.000     0.000 peak  5920 weight  0.10000E+01 volume -0.71700E+00 ppm1      1.337 ppm2      0.891
 ASSI (
     (segid "    " and resid "142 " and name "HG  ")
 )(
     (segid "    " and resid "142 " and name "HD13")
  OR 
     (segid "    " and resid "142 " and name "HD12")
  OR 
     (segid "    " and resid "142 " and name "HD11")
 )
      5.000     5.000     0.000 peak  5915 weight  0.10000E+01 volume  0.19640E+01 ppm1      1.508 ppm2      0.901
 ASSI (
     (segid "    " and resid "142 " and name "HG  ")
 )(
     (segid "    " and resid "142 " and name "HD23")
  OR 
     (segid "    " and resid "142 " and name "HD22")
  OR 
     (segid "    " and resid "142 " and name "HD21")
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      5.000     5.000     0.000 peak  5916 weight  0.10000E+01 volume  0.13770E+01 ppm1      1.509 ppm2      0.775
 ASSI (
     (segid "    " and resid "143 " and name "HG23")
  OR 
     (segid "    " and resid "143 " and name "HG22")
  OR 
     (segid "    " and resid "143 " and name "HG21")
 )(
     (segid "    " and resid "143 " and name "HB  ")
 )
      5.000     5.000     0.000 peak 13016 weight  0.10000E+01 volume  0.85600E+00 ppm1      1.256 ppm2      4.701
 ASSI (
     (segid "    " and resid "143 " and name "HA  ")
 )(
     (segid "    " and resid "143 " and name "HG23")
  OR 
     (segid "    " and resid "143 " and name "HG22")
  OR 
     (segid "    " and resid "143 " and name "HG21")
 )
      5.000     5.000     0.000 peak  5922 weight  0.10000E+01 volume  0.71900E+00 ppm1      5.384 ppm2      1.261
 ASSI (
     (segid "    " and resid "143 " and name "HB  ")
 )(
     (segid "    " and resid "143 " and name "HG23")
  OR 
     (segid "    " and resid "143 " and name "HG22")
  OR 
     (segid "    " and resid "143 " and name "HG21")
 )
      5.000     5.000     0.000 peak 13017 weight  0.10000E+01 volume  0.16480E+01 ppm1      4.701 ppm2      1.255
 ASSI (
     (segid "    " and resid "144 " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "117 " and name "HD12")
  OR 
     (segid "    " and resid "117 " and name "HD11")
 )
      5.000     5.000     0.000 peak  5923 weight  0.10000E+01 volume  0.49200E+00 ppm1      3.689 ppm2      0.897
 ASSI (
     (segid "    " and resid "145 " and name "HA  ")
 )(
     (segid "    " and resid "160 " and name "HD13")
  OR 
     (segid "    " and resid "160 " and name "HD12")
  OR 
     (segid "    " and resid "160 " and name "HD11")
 )
      5.000     5.000     0.000 peak  5924 weight  0.10000E+01 volume -0.16320E+01 ppm1      3.918 ppm2      0.679
 ASSI (
     (segid "    " and resid "145 " and name "HD13")
  OR 
     (segid "    " and resid "145 " and name "HD12")
  OR 
     (segid "    " and resid "145 " and name "HD11")
 )(
     (segid "    " and resid "145 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 12904 weight  0.10000E+01 volume -0.14400E+01 ppm1      0.952 ppm2      1.397
 ASSI (
     (segid "    " and resid "145 " and name "HG  ")
 )(
     (segid "    " and resid "145 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5925 weight  0.10000E+01 volume -0.36400E+00 ppm1      1.545 ppm2      3.976
 ASSI (
     (segid "    " and resid "145 " and name "HB2 ")
 )(
     (segid "    " and resid "145 " and name "HG  ")
 )
      5.000     5.000     0.000 peak 13002 weight  0.10000E+01 volume -0.98100E+00 ppm1      1.393 ppm2      1.529
 ASSI (
     (segid "    " and resid "145 " and name "HA  ")
 )(
     (segid "    " and resid "145 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 13007 weight  0.10000E+01 volume  0.47900E+00 ppm1      3.931 ppm2      1.405
 ASSI (
     (segid "    " and resid "145 " and name "HD13")
  OR 
     (segid "    " and resid "145 " and name "HD12")
  OR 
     (segid "    " and resid "145 " and name "HD11")
 )(
     (segid "    " and resid "145 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 12903 weight  0.10000E+01 volume -0.12150E+01 ppm1      0.952 ppm2      1.753
 ASSI (
     (segid "    " and resid "145 " and name "HB2 ")
 )(
     (segid "    " and resid "145 " and name "HD13")
  OR 
     (segid "    " and resid "145 " and name "HD12")
  OR 
     (segid "    " and resid "145 " and name "HD11")
 )
      5.000     5.000     0.000 peak  5926 weight  0.10000E+01 volume -0.18670E+01 ppm1      1.398 ppm2      0.947
 ASSI (
     (segid "    " and resid "145 " and name "HA  ")
 )(
     (segid "    " and resid "145 " and name "HG  ")
 )
      5.000     5.000     0.000 peak 12990 weight  0.10000E+01 volume -0.60100E+00 ppm1      3.917 ppm2      1.551
 ASSI (
     (segid "    " and resid "147 " and name "HB2 ")
 )(
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
 )
      5.000     5.000     0.000 peak  5932 weight  0.10000E+01 volume -0.56600E+00 ppm1      1.555 ppm2      1.193
 ASSI (
     (segid "    " and resid "148 " and name "HB3 ")
  OR 
     (segid "    " and resid "148 " and name "HB2 ")
  OR 
     (segid "    " and resid "148 " and name "HB1 ")
 )(
     (segid "    " and resid "148 " and name "HA  ")
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      3.300     3.300     0.000 peak  5938 weight  0.10000E+01 volume -0.25350E+01 ppm1      1.440 ppm2      3.751
 ASSI (
     (segid "    " and resid "149 " and name "HG2 ")
 )(
     (segid "    " and resid "149 " and name "HD2 ")
  OR 
     (segid "    " and resid "149 " and name "HD1 ")
 )
      3.300     3.300     0.000 peak  5946 weight  0.10000E+01 volume -0.21410E+01 ppm1      1.593 ppm2      3.245
 ASSI (
     (segid "    " and resid "149 " and name "HD2 ")
  OR 
     (segid "    " and resid "149 " and name "HD1 ")
 )(
     (segid "    " and resid "149 " and name "HG1 ")
 )
      3.300     3.300     0.000 peak 12865 weight  0.10000E+01 volume -0.34100E+01 ppm1      3.247 ppm2      1.784
 ASSI (
     (segid "    " and resid "149 " and name "HD2 ")
  OR 
     (segid "    " and resid "149 " and name "HD1 ")
 )(
     (segid "    " and resid "149 " and name "HG2 ")
 )
      5.000     5.000     0.000 peak 12866 weight  0.10000E+01 volume -0.19160E+01 ppm1      3.247 ppm2      1.594
 ASSI (
     (segid "    " and resid "149 " and name "HD2 ")
  OR 
     (segid "    " and resid "149 " and name "HD1 ")
 )(
     (segid "    " and resid "149 " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  5947 weight  0.10000E+01 volume -0.21660E+01 ppm1      3.263 ppm2      1.987
 ASSI (
     (segid "    " and resid "149 " and name "HA  ")
 )(
     (segid "    " and resid "149 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 13013 weight  0.10000E+01 volume  0.52100E+00 ppm1      4.340 ppm2      1.975
 ASSI (
     (segid "    " and resid "149 " and name "HA  ")
 )(
     (segid "    " and resid "149 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 13012 weight  0.10000E+01 volume  0.74300E+00 ppm1      4.340 ppm2      1.882
 ASSI (
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 )(
     (segid "    " and resid "151 " and name "HG2 ")
  OR 
     (segid "    " and resid "151 " and name "HG1 ")
 )
      2.700     2.700     0.000 peak  5949 weight  0.10000E+01 volume -0.43120E+01 ppm1      3.287 ppm2      1.796
 ASSI (
     (segid "    " and resid "151 " and name "HG2 ")
 )(
     (segid "    " and resid "151 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 12816 weight  0.10000E+01 volume -0.54500E+00 ppm1      1.784 ppm2      4.296
 ASSI (
     (segid "    " and resid "151 " and name "HA  ")
 )(
     (segid "    " and resid "151 " and name "HG2 ")
  OR 
     (segid "    " and resid "151 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5950 weight  0.10000E+01 volume -0.13220E+01 ppm1      4.293 ppm2      1.820
 ASSI (
     (segid "    " and resid "151 " and name "HD2 ")
 )(
     (segid "    " and resid "151 " and name "HG2 ")
  OR 
     (segid "    " and resid "151 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5948 weight  0.10000E+01 volume -0.12530E+01 ppm1      2.991 ppm2      1.796
 ASSI (
     (segid "    " and resid "153 " and name "HB3 ")
  OR 
     (segid "    " and resid "153 " and name "HB2 ")
  OR 
     (segid "    " and resid "153 " and name "HB1 ")
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  OR 
     (segid "    " and resid "156 " and name "HD12")
  OR 
     (segid "    " and resid "156 " and name "HD11")
 )
      3.300     3.300     0.000 peak  5953 weight  0.10000E+01 volume  0.20910E+01 ppm1      1.361 ppm2      1.013
 ASSI (
     (segid "    " and resid "155 " and name "HA  ")
 )(
     (segid "    " and resid "155 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  5956 weight  0.10000E+01 volume  0.17780E+01 ppm1      4.478 ppm2      2.869
 ASSI (
     (segid "    " and resid "155 " and name "HB1 ")
 )(
     (segid "    " and resid "155 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5955 weight  0.10000E+01 volume  0.35200E+00 ppm1      2.940 ppm2      4.478
 ASSI (
     (segid "    " and resid "156 " and name "HD23")
  OR 
     (segid "    " and resid "156 " and name "HD22")
  OR 
     (segid "    " and resid "156 " and name "HD21")
 )(
     (segid "    " and resid "156 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5958 weight  0.10000E+01 volume -0.17790E+01 ppm1      0.750 ppm2      4.164
 ASSI (
     (segid "    " and resid "156 " and name "HD23")
  OR 
     (segid "    " and resid "156 " and name "HD22")
  OR 
     (segid "    " and resid "156 " and name "HD21")
 )(
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  OR 
     (segid "    " and resid "156 " and name "HD12")
  OR 
     (segid "    " and resid "156 " and name "HD11")
 )
      5.000     5.000     0.000 peak  5957 weight  0.10000E+01 volume  0.19370E+01 ppm1      0.735 ppm2      0.997
 ASSI (
     (segid "    " and resid "156 " and name "HB2 ")
 )(
     (segid "    " and resid "156 " and name "HD13")
  OR 
     (segid "    " and resid "156 " and name "HD12")
  OR 
     (segid "    " and resid "156 " and name "HD11")
 )
      5.000     5.000     0.000 peak  5961 weight  0.10000E+01 volume -0.46200E+00 ppm1      1.163 ppm2      1.000
 ASSI (
     (segid "    " and resid "156 " and name "HA  ")
 )(
     (segid "    " and resid "156 " and name "HD23")
  OR 
     (segid "    " and resid "156 " and name "HD22")
  OR 
     (segid "    " and resid "156 " and name "HD21")
 )
      5.000     5.000     0.000 peak  5964 weight  0.10000E+01 volume -0.19010E+01 ppm1      4.166 ppm2      0.744
 ASSI (
     (segid "    " and resid "157 " and name "HG2 ")
  OR 
     (segid "    " and resid "157 " and name "HG1 ")
 )(
     (segid "    " and resid "157 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5970 weight  0.10000E+01 volume  0.35500E+00 ppm1      2.339 ppm2      3.720
 ASSI (
     (segid "    " and resid "157 " and name "HA  ")
 )(
     (segid "    " and resid "157 " and name "HG2 ")
  OR 
     (segid "    " and resid "157 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  5971 weight  0.10000E+01 volume  0.61300E+00 ppm1      3.719 ppm2      2.334
 ASSI (
     (segid "    " and resid "157 " and name "HE3 ")
  OR 
     (segid "    " and resid "157 " and name "HE2 ")
  OR 
     (segid "    " and resid "157 " and name "HE1 ")
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  OR 
     (segid "    " and resid "150 " and name "HA  ")
  OR 
     (segid "    " and resid "146 " and name "HA  ")
 )
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 ASSI (
     (segid "    " and resid "159 " and name "HD13")
  OR 
     (segid "    " and resid "159 " and name "HD12")
  OR 
     (segid "    " and resid "159 " and name "HD11")
 )(
     (segid "    " and resid "126 " and name "HA  ")
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 ASSI (
     (segid "    " and resid "159 " and name "HG11")
 )(
     (segid "    " and resid "159 " and name "HG12")
 )
      5.000     5.000     0.000 peak  5982 weight  0.10000E+01 volume  0.80800E+00 ppm1      1.937 ppm2      1.156
 ASSI (
     (segid "    " and resid "159 " and name "HB  ")
 )(
     (segid "    " and resid "159 " and name "HD13")
  OR 
     (segid "    " and resid "159 " and name "HD12")
  OR 
     (segid "    " and resid "159 " and name "HD11")
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      5.000     5.000     0.000 peak  5986 weight  0.10000E+01 volume -0.78300E+00 ppm1      1.877 ppm2      0.916
 ASSI (
     (segid "    " and resid "159 " and name "HA  ")
 )(
     (segid "    " and resid "159 " and name "HD13")
  OR 
     (segid "    " and resid "159 " and name "HD12")
  OR 
     (segid "    " and resid "159 " and name "HD11")
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      5.000     5.000     0.000 peak  5991 weight  0.10000E+01 volume  0.54200E+00 ppm1      3.766 ppm2      0.911
 ASSI (
     (segid "    " and resid "159 " and name "HA  ")
 )(
     (segid "    " and resid "159 " and name "HG23")
  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "159 " and name "HG21")
 )
      5.000     5.000     0.000 peak  5992 weight  0.10000E+01 volume  0.18930E+01 ppm1      3.763 ppm2      0.911
 ASSI (
     (segid "    " and resid "159 " and name "HG23")
  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "159 " and name "HG21")
 )(
     (segid "    " and resid "159 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5979 weight  0.10000E+01 volume  0.18390E+01 ppm1      0.910 ppm2      3.764
 ASSI (
     (segid "    " and resid "159 " and name "HG11")
 )(
     (segid "    " and resid "159 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  5980 weight  0.10000E+01 volume  0.22500E+00 ppm1      1.941 ppm2      3.764
 ASSI (
     (segid "    " and resid "159 " and name "HG23")
  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "159 " and name "HG21")
 )(
     (segid "    " and resid "159 " and name "HB  ")
 )
      5.000     5.000     0.000 peak  5978 weight  0.10000E+01 volume -0.19330E+01 ppm1      0.908 ppm2      1.872
 ASSI (
     (segid "    " and resid "159 " and name "HG11")
 )(
     (segid "    " and resid "159 " and name "HD13")
  OR 
     (segid "    " and resid "159 " and name "HD12")
  OR 
     (segid "    " and resid "159 " and name "HD11")
 )
      5.000     5.000     0.000 peak  5985 weight  0.10000E+01 volume  0.10510E+01 ppm1      1.941 ppm2      0.910
 ASSI (
     (segid "    " and resid "159 " and name "HA  ")
 )(
     (segid "    " and resid "159 " and name "HG11")
 )
      5.000     5.000     0.000 peak  5989 weight  0.10000E+01 volume  0.30100E+00 ppm1      3.758 ppm2      1.941
 ASSI (
     (segid "    " and resid "159 " and name "HB  ")
 )(
     (segid "    " and resid "159 " and name "HG23")
  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "159 " and name "HG21")
 )
      3.300     3.300     0.000 peak  5987 weight  0.10000E+01 volume -0.23470E+01 ppm1      1.877 ppm2      0.912
 ASSI (
     (segid "    " and resid "159 " and name "HD13")
  OR 
     (segid "    " and resid "159 " and name "HD12")
  OR 
     (segid "    " and resid "159 " and name "HD11")
 )(
     (segid "    " and resid "159 " and name "HG11")
 )
      5.000     5.000     0.000 peak  5974 weight  0.10000E+01 volume  0.16900E+01 ppm1      0.918 ppm2      1.951
 ASSI (
     (segid "    " and resid "159 " and name "HG12")
 )(
     (segid "    " and resid "159 " and name "HG23")
  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "159 " and name "HG21")
 )
      5.000     5.000     0.000 peak  5983 weight  0.10000E+01 volume  0.16690E+01 ppm1      1.158 ppm2      0.887
 ASSI (
     (segid "    " and resid "160 " and name "HD22")
  OR 
     (segid "    " and resid "160 " and name "HD21")
  OR 
     (segid "    " and resid "29  " and name "HD23")
  OR 
     (segid "    " and resid "29  " and name "HD22")
  OR 
     (segid "    " and resid "29  " and name "HD21")
 )(
     (segid "    " and resid "160 " and name "HA  ")
  OR 
     (segid "    " and resid "29  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  5996 weight  0.10000E+01 volume -0.28850E+01 ppm1      0.757 ppm2      3.887
 ASSI (
     (segid "    " and resid "160 " and name "HD13")
  OR 
     (segid "    " and resid "160 " and name "HD12")
  OR 
     (segid "    " and resid "160 " and name "HD11")
 )(
     (segid "    " and resid "117 " and name "HD13")
  OR 
     (segid "    " and resid "117 " and name "HD12")
  OR 
     (segid "    " and resid "117 " and name "HD11")
 )
      5.000     5.000     0.000 peak  5999 weight  0.10000E+01 volume  0.12530E+01 ppm1      0.649 ppm2      0.891
 ASSI (
     (segid "    " and resid "160 " and name "HD13")
  OR 
     (segid "    " and resid "160 " and name "HD12")
  OR 
     (segid "    " and resid "160 " and name "HD11")
 )(
     (segid "    " and resid "160 " and name "HA  ")
  OR 
     (segid "    " and resid "145 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  5998 weight  0.10000E+01 volume -0.16790E+01 ppm1      0.651 ppm2      3.919
 ASSI (
     (segid "    " and resid "164 " and name "HB1 ")
 )(
     (segid "    " and resid "164 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 13079 weight  0.10000E+01 volume  0.54400E+00 ppm1      2.306 ppm2      4.484
 ASSI (
     (segid "    " and resid "164 " and name "HB2 ")
 )(
     (segid "    " and resid "164 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 13080 weight  0.10000E+01 volume  0.21700E+00 ppm1      1.944 ppm2      4.484
 ASSI (
     (segid "    " and resid "164 " and name "HA  ")
 )(
     (segid "    " and resid "164 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  6005 weight  0.10000E+01 volume  0.62400E+00 ppm1      4.504 ppm2      1.953
 ASSI (
     (segid "    " and resid "164 " and name "HA  ")
 )(
     (segid "    " and resid "164 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6004 weight  0.10000E+01 volume  0.81200E+00 ppm1      4.505 ppm2      2.298
 ASSI (
     (segid "    " and resid "164 " and name "HE3 ")
  OR 
     (segid "    " and resid "164 " and name "HE2 ")
  OR 
     (segid "    " and resid "164 " and name "HE1 ")
 )(
     (segid "    " and resid "166 " and name "HD13")
  OR 
     (segid "    " and resid "166 " and name "HD12")
  OR 
     (segid "    " and resid "166 " and name "HD11")
 )
      6.000     6.000     0.000 peak  6006 weight  0.10000E+01 volume  0.28500E+00 ppm1      1.973 ppm2      0.924
 ASSI (
     (segid "    " and resid "164 " and name "HE3 ")
  OR 
     (segid "    " and resid "164 " and name "HE2 ")
  OR 
     (segid "    " and resid "164 " and name "HE1 ")
 )(
     (segid "    " and resid "164 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  6003 weight  0.10000E+01 volume -0.57400E+00 ppm1      1.980 ppm2      1.966
 ASSI (
     (segid "    " and resid "166 " and name "HG23")
  OR 
     (segid "    " and resid "166 " and name "HG22")
  OR 
     (segid "    " and resid "166 " and name "HG21")
 )(
     (segid "    " and resid "166 " and name "HG11")
 )
      5.000     5.000     0.000 peak 12934 weight  0.10000E+01 volume  0.37900E+00 ppm1      0.997 ppm2      1.568
 ASSI (
     (segid "    " and resid "166 " and name "HG23")
  OR 
     (segid "    " and resid "166 " and name "HG22")
  OR 
     (segid "    " and resid "166 " and name "HG21")
 )(
     (segid "    " and resid "166 " and name "HB  ")
 )
      3.300     3.300     0.000 peak 12935 weight  0.10000E+01 volume -0.22140E+01 ppm1      0.997 ppm2      1.905
 ASSI (
     (segid "    " and resid "166 " and name "HG11")
 )(
     (segid "    " and resid "166 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  6010 weight  0.10000E+01 volume -0.60000E-01 ppm1      1.550 ppm2      4.526
 ASSI (
     (segid "    " and resid "166 " and name "HG12")
 )(
     (segid "    " and resid "166 " and name "HD13")
  OR 
     (segid "    " and resid "166 " and name "HD12")
  OR 
     (segid "    " and resid "166 " and name "HD11")
 )
      5.000     5.000     0.000 peak  6012 weight  0.10000E+01 volume  0.16920E+01 ppm1      1.242 ppm2      0.930
 ASSI (
     (segid "    " and resid "166 " and name "HG11")
 )(
     (segid "    " and resid "166 " and name "HD13")
  OR 
     (segid "    " and resid "166 " and name "HD12")
  OR 
     (segid "    " and resid "166 " and name "HD11")
 )
      5.000     5.000     0.000 peak  6013 weight  0.10000E+01 volume  0.72300E+00 ppm1      1.580 ppm2      0.930
 ASSI (
     (segid "    " and resid "166 " and name "HB  ")
 )(
     (segid "    " and resid "166 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  6014 weight  0.10000E+01 volume  0.13300E+00 ppm1      1.917 ppm2      4.526
 ASSI (
     (segid "    " and resid "166 " and name "HD13")
  OR 
     (segid "    " and resid "166 " and name "HD12")
  OR 
     (segid "    " and resid "166 " and name "HD11")
 )(
     (segid "    " and resid "166 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  6008 weight  0.10000E+01 volume -0.12900E+00 ppm1      0.913 ppm2      4.524
 ASSI (
     (segid "    " and resid "166 " and name "HD13")
  OR 
     (segid "    " and resid "166 " and name "HD12")
  OR 
     (segid "    " and resid "166 " and name "HD11")
 )(
     (segid "    " and resid "166 " and name "HG11")
 )
      5.000     5.000     0.000 peak 12858 weight  0.10000E+01 volume  0.11450E+01 ppm1      0.903 ppm2      1.549
 ASSI (
     (segid "    " and resid "166 " and name "HG12")
 )(
     (segid "    " and resid "166 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  6011 weight  0.10000E+01 volume -0.10900E+00 ppm1      1.213 ppm2      4.526
 ASSI (
     (segid "    " and resid "166 " and name "HG23")
  OR 
     (segid "    " and resid "166 " and name "HG22")
  OR 
     (segid "    " and resid "166 " and name "HG21")
 )(
     (segid "    " and resid "166 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  6009 weight  0.10000E+01 volume -0.42500E+00 ppm1      0.991 ppm2      4.526
 ASSI (
     (segid "    " and resid "167 " and name "HB2 ")
 )(
     (segid "    " and resid "167 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 12879 weight  0.10000E+01 volume  0.11370E+01 ppm1      1.988 ppm2      4.452
 ASSI (
     (segid "    " and resid "167 " and name "HB1 ")
 )(
     (segid "    " and resid "167 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 12878 weight  0.10000E+01 volume  0.12560E+01 ppm1      2.286 ppm2      4.452
 ASSI (
     (segid "    " and resid "167 " and name "HA  ")
 )(
     (segid "    " and resid "167 " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  6015 weight  0.10000E+01 volume  0.34000E+00 ppm1      4.460 ppm2      2.027
 ASSI (
     (segid "    " and resid "167 " and name "HA  ")
 )(
     (segid "    " and resid "167 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  6016 weight  0.10000E+01 volume  0.71100E+00 ppm1      4.452 ppm2      1.971
 ASSI (
     (segid "    " and resid "167 " and name "HA  ")
 )(
     (segid "    " and resid "167 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  6017 weight  0.10000E+01 volume  0.14280E+01 ppm1      4.453 ppm2      2.286
 ASSI (
     (segid "    " and resid "99  " and name "HN  ")
  OR 
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "102 " and name "HG23")
  OR 
     (segid "    " and resid "102 " and name "HG22")
  OR 
     (segid "    " and resid "102 " and name "HG21")
  OR 
     (segid "    " and resid "102 " and name "HG13")
  OR 
     (segid "    " and resid "102 " and name "HG12")
  OR 
     (segid "    " and resid "63  " and name "HD23")
  OR 
     (segid "    " and resid "63  " and name "HD22")
  OR 
     (segid "    " and resid "63  " and name "HD21")
  OR 
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "48  " and name "HD13")
 )
      6.000     6.000     0.000 peak  7883 weight  0.10000E+01 volume -0.15000E+00 ppm1      7.610 ppm2      0.843
 ASSI (
     (segid "    " and resid "99  " and name "HN  ")
  OR 
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "97  " and name "HB2 ")
  OR 
     (segid "    " and resid "65  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7884 weight  0.10000E+01 volume -0.36100E+00 ppm1      7.610 ppm2      2.029
 ASSI (
     (segid "    " and resid "162 " and name "HN  ")
  OR 
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "161 " and name "HB2 ")
  OR 
     (segid "    " and resid "161 " and name "HB1 ")
  OR 
     (segid "    " and resid "65  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7885 weight  0.10000E+01 volume -0.87300E+00 ppm1      7.581 ppm2      2.163
 ASSI (
     (segid "    " and resid "162 " and name "HN  ")
  OR 
     (segid "    " and resid "99  " and name "HN  ")
  OR 
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "162 " and name "HA2 ")
  OR 
     (segid "    " and resid "159 " and name "HA  ")
  OR 
     (segid "    " and resid "96  " and name "HA  ")
  OR 
     (segid "    " and resid "66  " and name "HA2 ")
 )
      2.700     2.700     0.000 peak  7886 weight  0.10000E+01 volume -0.42820E+01 ppm1      7.585 ppm2      3.800
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7887 weight  0.10000E+01 volume -0.10120E+01 ppm1      7.594 ppm2      4.485
 ASSI (
     (segid "    " and resid "162 " and name "HN  ")
  OR 
     (segid "    " and resid "99  " and name "HN  ")
  OR 
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "158 " and name "HA  ")
  OR 
     (segid "    " and resid "99  " and name "HA1 ")
  OR 
     (segid "    " and resid "66  " and name "HA1 ")
 )
      5.000     5.000     0.000 peak  7889 weight  0.10000E+01 volume -0.13330E+01 ppm1      7.589 ppm2      4.388
 ASSI (
     (segid "    " and resid "99  " and name "HN  ")
 )(
     (segid "    " and resid "100 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7890 weight  0.10000E+01 volume -0.21300E+00 ppm1      7.635 ppm2      4.213
 ASSI (
     (segid "    " and resid "49  " and name "HE21")
 )(
     (segid "    " and resid "73  " and name "HB2 ")
  OR 
     (segid "    " and resid "49  " and name "HG1 ")
  OR 
     (segid "    " and resid "49  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7891 weight  0.10000E+01 volume  0.38000E+00 ppm1      8.466 ppm2      2.660
 ASSI (
     (segid "    " and resid "49  " and name "HE22")
 )(
     (segid "    " and resid "49  " and name "HE21")
 )
      3.300     3.300     0.000 peak  7892 weight  0.10000E+01 volume  0.23880E+01 ppm1      6.118 ppm2      8.461
 ASSI (
     (segid "    " and resid "49  " and name "HE21")
 )(
     (segid "    " and resid "49  " and name "HE22")
 )
      3.300     3.300     0.000 peak  7893 weight  0.10000E+01 volume  0.24440E+01 ppm1      8.465 ppm2      6.113
 ASSI (
     (segid "    " and resid "49  " and name "HE22")
 )(
     (segid "    " and resid "72  " and name "HG2 ")
  OR 
     (segid "    " and resid "72  " and name "HG1 ")
  OR 
     (segid "    " and resid "49  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  7894 weight  0.10000E+01 volume  0.25200E+00 ppm1      6.124 ppm2      2.215
 ASSI (
     (segid "    " and resid "49  " and name "HE21")
 )(
     (segid "    " and resid "71  " and name "HG13")
  OR 
     (segid "    " and resid "71  " and name "HG12")
  OR 
     (segid "    " and resid "71  " and name "HG11")
 )
      6.000     6.000     0.000 peak  7895 weight  0.10000E+01 volume  0.24700E+00 ppm1      8.461 ppm2      0.848
 ASSI (
     (segid "    " and resid "49  " and name "HE21")
 )(
     (segid "    " and resid "49  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  7896 weight  0.10000E+01 volume  0.43900E+00 ppm1      8.471 ppm2      2.223
 ASSI (
     (segid "    " and resid "41  " and name "HD22")
 )(
     (segid "    " and resid "41  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7897 weight  0.10000E+01 volume  0.30600E+00 ppm1      5.873 ppm2      3.949
 ASSI (
     (segid "    " and resid "41  " and name "HD22")
 )(
     (segid "    " and resid "41  " and name "HD21")
 )
      5.000     5.000     0.000 peak  7898 weight  0.10000E+01 volume  0.14520E+01 ppm1      5.868 ppm2      7.952
 ASSI (
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "41  " and name "HD22")
 )
      5.000     5.000     0.000 peak  7899 weight  0.10000E+01 volume  0.16910E+01 ppm1      7.952 ppm2      5.871
 ASSI (
     (segid "    " and resid "41  " and name "HD22")
 )(
     (segid "    " and resid "50  " and name "HG23")
  OR 
     (segid "    " and resid "50  " and name "HG22")
  OR 
     (segid "    " and resid "50  " and name "HG13")
  OR 
     (segid "    " and resid "50  " and name "HG11")
 )
      5.000     5.000     0.000 peak  7900 weight  0.10000E+01 volume  0.46000E+00 ppm1      5.869 ppm2      0.858
 ASSI (
     (segid "    " and resid "41  " and name "HD21")
 )(
     (segid "    " and resid "50  " and name "HG23")
  OR 
     (segid "    " and resid "50  " and name "HG13")
  OR 
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )
      5.000     5.000     0.000 peak  7901 weight  0.10000E+01 volume  0.45600E+00 ppm1      7.942 ppm2      0.862
 ASSI (
     (segid "    " and resid "141 " and name "HN  ")
 )(
     (segid "    " and resid "142 " and name "HG  ")
  OR 
     (segid "    " and resid "137 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7902 weight  0.10000E+01 volume  0.32500E+00 ppm1      8.458 ppm2      1.514
 ASSI (
     (segid "    " and resid "141 " and name "HN  ")
 )(
     (segid "    " and resid "139 " and name "HB3 ")
  OR 
     (segid "    " and resid "139 " and name "HB2 ")
  OR 
     (segid "    " and resid "137 " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  7903 weight  0.10000E+01 volume  0.23600E+00 ppm1      8.446 ppm2      1.397
 ASSI (
     (segid "    " and resid "161 " and name "HE22")
  OR 
     (segid "    " and resid "65  " and name "HE22")
 )(
     (segid "    " and resid "145 " and name "HD23")
  OR 
     (segid "    " and resid "145 " and name "HD22")
  OR 
     (segid "    " and resid "145 " and name "HD12")
  OR 
     (segid "    " and resid "145 " and name "HD11")
  OR 
     (segid "    " and resid "30  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  7904 weight  0.10000E+01 volume  0.24700E+00 ppm1      6.814 ppm2      0.988
 ASSI (
     (segid "    " and resid "161 " and name "HE21")
 )(
     (segid "    " and resid "145 " and name "HD23")
  OR 
     (segid "    " and resid "145 " and name "HD22")
  OR 
     (segid "    " and resid "145 " and name "HD13")
  OR 
     (segid "    " and resid "145 " and name "HD11")
 )
      6.000     6.000     0.000 peak  7905 weight  0.10000E+01 volume  0.12400E+00 ppm1      7.197 ppm2      0.988
 ASSI (
     (segid "    " and resid "161 " and name "HE22")
 )(
     (segid "    " and resid "161 " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  7906 weight  0.10000E+01 volume  0.30300E+00 ppm1      6.820 ppm2      2.387
 ASSI (
     (segid "    " and resid "161 " and name "HE22")
  OR 
     (segid "    " and resid "65  " and name "HE22")
 )(
     (segid "    " and resid "161 " and name "HB2 ")
  OR 
     (segid "    " and resid "161 " and name "HB1 ")
  OR 
     (segid "    " and resid "65  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7907 weight  0.10000E+01 volume  0.32100E+00 ppm1      6.817 ppm2      2.161
 ASSI (
     (segid "    " and resid "150 " and name "HE22")
 )(
     (segid "    " and resid "142 " and name "HD13")
  OR 
     (segid "    " and resid "142 " and name "HD12")
  OR 
     (segid "    " and resid "142 " and name "HD11")
 )
      5.000     5.000     0.000 peak  7908 weight  0.10000E+01 volume  0.30500E+00 ppm1      6.757 ppm2      0.878
 ASSI (
     (segid "    " and resid "150 " and name "HE22")
 )(
     (segid "    " and resid "150 " and name "HG2 ")
  OR 
     (segid "    " and resid "150 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  7909 weight  0.10000E+01 volume  0.18300E+00 ppm1      6.759 ppm2      2.354
 ASSI (
     (segid "    " and resid "150 " and name "HE21")
 )(
     (segid "    " and resid "150 " and name "HG2 ")
  OR 
     (segid "    " and resid "150 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  7910 weight  0.10000E+01 volume  0.17100E+00 ppm1      7.589 ppm2      2.353
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  7911 weight  0.10000E+01 volume  0.22600E+00 ppm1      9.194 ppm2      2.615
 ASSI (
     (segid "    " and resid "103 " and name "HD21")
 )(
     (segid "    " and resid "133 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  7913 weight  0.10000E+01 volume  0.10700E+00 ppm1      7.544 ppm2      8.700
 ASSI (
     (segid "    " and resid "103 " and name "HD21")
 )(
     (segid "    " and resid "103 " and name "HN  ")
  OR 
     (segid "    " and resid "102 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  7914 weight  0.10000E+01 volume  0.21200E+00 ppm1      7.549 ppm2      8.538
 ASSI (
     (segid "    " and resid "103 " and name "HD21")
 )(
     (segid "    " and resid "132 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7915 weight  0.10000E+01 volume  0.20700E+00 ppm1      7.545 ppm2      5.072
 ASSI (
     (segid "    " and resid "103 " and name "HD22")
 )(
     (segid "    " and resid "133 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  7916 weight  0.10000E+01 volume  0.23100E+00 ppm1      6.759 ppm2      8.712
 ASSI (
     (segid "    " and resid "72  " and name "HE22")
 )(
     (segid "    " and resid "72  " and name "HG2 ")
  OR 
     (segid "    " and resid "72  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  7917 weight  0.10000E+01 volume  0.68400E+00 ppm1      6.730 ppm2      2.249
 ASSI (
     (segid "    " and resid "128 " and name "HN  ")
 )(
     (segid "    " and resid "127 " and name "HE2 ")
  OR 
     (segid "    " and resid "127 " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  7918 weight  0.10000E+01 volume  0.28900E+00 ppm1      8.230 ppm2      7.188
 ASSI (
     (segid "    " and resid "155 " and name "HD21")
 )(
     (segid "    " and resid "155 " and name "HD22")
 )
      5.000     5.000     0.000 peak  7919 weight  0.10000E+01 volume  0.62100E+00 ppm1      7.849 ppm2      7.156
 ASSI (
     (segid "    " and resid "70  " and name "HD22")
 )(
     (segid "    " and resid "70  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  7920 weight  0.10000E+01 volume  0.20200E+00 ppm1      6.885 ppm2      3.022
 ASSI (
     (segid "    " and resid "70  " and name "HD21")
 )(
     (segid "    " and resid "101 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  7921 weight  0.10000E+01 volume  0.13500E+00 ppm1      7.862 ppm2      8.950
 ASSI (
     (segid "    " and resid "70  " and name "HD22")
 )(
     (segid "    " and resid "101 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  7922 weight  0.10000E+01 volume  0.29100E+00 ppm1      6.882 ppm2      8.968
 ASSI (
     (segid "    " and resid "70  " and name "HD21")
 )(
     (segid "    " and resid "70  " and name "HD22")
 )
      3.300     3.300     0.000 peak  7924 weight  0.10000E+01 volume  0.30670E+01 ppm1      7.863 ppm2      6.884
 ASSI (
     (segid "    " and resid "155 " and name "HD21")
  OR 
     (segid "    " and resid "70  " and name "HD21")
 )(
     (segid "    " and resid "158 " and name "HB1 ")
  OR 
     (segid "    " and resid "101 " and name "HB1 ")
  OR 
     (segid "    " and resid "70  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7925 weight  0.10000E+01 volume  0.62400E+00 ppm1      7.869 ppm2      2.781
 ASSI (
     (segid "    " and resid "70  " and name "HD22")
 )(
     (segid "    " and resid "100 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7926 weight  0.10000E+01 volume  0.21200E+00 ppm1      6.892 ppm2      4.219
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HG2 ")
  OR 
     (segid "    " and resid "28  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  7927 weight  0.10000E+01 volume  0.23700E+00 ppm1      7.553 ppm2      1.706
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7928 weight  0.10000E+01 volume  0.43800E+00 ppm1      7.545 ppm2      3.884
 ASSI (
     (segid "    " and resid "154 " and name "HE22")
 )(
     (segid "    " and resid "156 " and name "HB1 ")
  OR 
     (segid "    " and resid "154 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  7929 weight  0.10000E+01 volume  0.19500E+00 ppm1      6.806 ppm2      2.039
 ASSI (
     (segid "    " and resid "154 " and name "HE22")
 )(
     (segid "    " and resid "156 " and name "HB1 ")
  OR 
     (segid "    " and resid "154 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  7930 weight  0.10000E+01 volume  0.19500E+00 ppm1      6.806 ppm2      2.039
 ASSI (
     (segid "    " and resid "154 " and name "HE22")
 )(
     (segid "    " and resid "152 " and name "HA1 ")
 )
      6.000     6.000     0.000 peak  7931 weight  0.10000E+01 volume  0.11000E+00 ppm1      6.816 ppm2      3.995
 ASSI (
     (segid "    " and resid "154 " and name "HE21")
 )(
     (segid "    " and resid "154 " and name "HG2 ")
  OR 
     (segid "    " and resid "154 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  7934 weight  0.10000E+01 volume  0.18960E+01 ppm1      7.836 ppm2      2.414
 ASSI (
     (segid "    " and resid "154 " and name "HE22")
 )(
     (segid "    " and resid "154 " and name "HG2 ")
  OR 
     (segid "    " and resid "154 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  7935 weight  0.10000E+01 volume  0.75500E+00 ppm1      6.809 ppm2      2.414
 ASSI (
     (segid "    " and resid "154 " and name "HE21")
 )(
     (segid "    " and resid "154 " and name "HE22")
 )
      2.700     2.700     0.000 peak  7936 weight  0.10000E+01 volume  0.90360E+01 ppm1      7.837 ppm2      6.810
 ASSI (
     (segid "    " and resid "154 " and name "HE22")
 )(
     (segid "    " and resid "154 " and name "HE21")
 )
      2.700     2.700     0.000 peak  7937 weight  0.10000E+01 volume  0.92440E+01 ppm1      6.811 ppm2      7.841
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "64  " and name "HG2 ")
  OR 
     (segid "    " and resid "64  " and name "HG1 ")
  OR 
     (segid "    " and resid "63  " and name "HG  ")
  OR 
     (segid "    " and resid "60  " and name "HB2 ")
  OR 
     (segid "    " and resid "30  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7938 weight  0.10000E+01 volume  0.34400E+00 ppm1      7.504 ppm2      1.582
 ASSI (
     (segid "    " and resid "85  " and name "HN  ")
 )(
     (segid "    " and resid "85  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  7939 weight  0.10000E+01 volume  0.25300E+00 ppm1      8.635 ppm2      1.752
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
 )(
     (segid "    " and resid "46  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  7940 weight  0.10000E+01 volume  0.30300E+00 ppm1      8.376 ppm2      4.910
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
  OR 
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "26  " and name "HG23")
  OR 
     (segid "    " and resid "26  " and name "HG22")
  OR 
     (segid "    " and resid "26  " and name "HG21")
 )
      5.000     5.000     0.000 peak  7941 weight  0.10000E+01 volume  0.11880E+01 ppm1      8.385 ppm2      0.805
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
  OR 
     (segid "    " and resid "27  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7943 weight  0.10000E+01 volume  0.30100E+01 ppm1      8.417 ppm2      1.911
 ASSI (
     (segid "    " and resid "32  " and name "HN  ")
  OR 
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HB1 ")
  OR 
     (segid "    " and resid "26  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  7944 weight  0.10000E+01 volume  0.27060E+01 ppm1      8.413 ppm2      2.184
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
  OR 
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7945 weight  0.10000E+01 volume  0.52500E+00 ppm1      8.415 ppm2      3.379
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  7946 weight  0.10000E+01 volume  0.28820E+01 ppm1      8.405 ppm2      1.707
 ASSI (
     (segid "    " and resid "32  " and name "HN  ")
  OR 
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "31  " and name "HB2 ")
  OR 
     (segid "    " and resid "31  " and name "HB1 ")
  OR 
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  7947 weight  0.10000E+01 volume  0.89000E+00 ppm1      8.416 ppm2      3.115
 ASSI (
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "28  " and name "HN  ")
  OR 
     (segid "    " and resid "26  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  7948 weight  0.10000E+01 volume  0.18770E+01 ppm1      8.416 ppm2      8.137
 ASSI (
     (segid "    " and resid "32  " and name "HN  ")
  OR 
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HG1 ")
  OR 
     (segid "    " and resid "27  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  7949 weight  0.10000E+01 volume  0.29210E+01 ppm1      8.415 ppm2      1.847
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
  OR 
     (segid "    " and resid "32  " and name "HN  ")
  OR 
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "67  " and name "HA  ")
  OR 
     (segid "    " and resid "34  " and name "HA  ")
  OR 
     (segid "    " and resid "28  " and name "HA  ")
  OR 
     (segid "    " and resid "24  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7950 weight  0.10000E+01 volume  0.88100E+00 ppm1      8.413 ppm2      4.004
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
  OR 
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "26  " and name "HG23")
  OR 
     (segid "    " and resid "26  " and name "HG22")
  OR 
     (segid "    " and resid "26  " and name "HG21")
 )
      5.000     5.000     0.000 peak  7951 weight  0.10000E+01 volume  0.10720E+01 ppm1      8.410 ppm2      0.806
 ASSI (
     (segid "    " and resid "32  " and name "HN  ")
  OR 
     (segid "    " and resid "27  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HG2 ")
  OR 
     (segid "    " and resid "32  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  7952 weight  0.10000E+01 volume  0.20440E+01 ppm1      8.409 ppm2      2.092
 ASSI (
     (segid "    " and resid "84  " and name "HN  ")
  OR 
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "112 " and name "HA  ")
  OR 
     (segid "    " and resid "57  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  7953 weight  0.10000E+01 volume  0.21100E+00 ppm1      7.804 ppm2      4.114
 ASSI (
     (segid "    " and resid "103 " and name "HN  ")
 )(
     (segid "    " and resid "104 " and name "HB3 ")
  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7955 weight  0.10000E+01 volume  0.56600E+00 ppm1      8.545 ppm2      1.315
 ASSI (
     (segid "    " and resid "160 " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "160 " and name "HG  ")
  OR 
     (segid "    " and resid "42  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  7956 weight  0.10000E+01 volume  0.28090E+01 ppm1      7.941 ppm2      1.774
 ASSI (
     (segid "    " and resid "160 " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "159 " and name "HD12")
  OR 
     (segid "    " and resid "159 " and name "HD11")
  OR 
     (segid "    " and resid "159 " and name "HG23")
  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "159 " and name "HG21")
  OR 
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
 )
      5.000     5.000     0.000 peak  7957 weight  0.10000E+01 volume  0.15300E+01 ppm1      7.944 ppm2      0.888
 ASSI (
     (segid "    " and resid "160 " and name "HN  ")
  OR 
     (segid "    " and resid "116 " and name "HN  ")
  OR 
     (segid "    " and resid "91  " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "162 " and name "HA1 ")
  OR 
     (segid "    " and resid "161 " and name "HA  ")
  OR 
     (segid "    " and resid "126 " and name "HA  ")
  OR 
     (segid "    " and resid "114 " and name "HA  ")
  OR 
     (segid "    " and resid "84  " and name "HA  ")
  OR 
     (segid "    " and resid "56  " and name "HD1 ")
  OR 
     (segid "    " and resid "15  " and name "HB2 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7958 weight  0.10000E+01 volume  0.34400E+00 ppm1      7.942 ppm2      4.001
 ASSI (
     (segid "    " and resid "160 " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "159 " and name "HB  ")
  OR 
     (segid "    " and resid "42  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7959 weight  0.10000E+01 volume  0.29550E+01 ppm1      7.944 ppm2      1.883
 ASSI (
     (segid "    " and resid "160 " and name "HN  ")
 )(
     (segid "    " and resid "160 " and name "HD23")
  OR 
     (segid "    " and resid "160 " and name "HD22")
  OR 
     (segid "    " and resid "160 " and name "HD21")
 )
      5.000     5.000     0.000 peak  7960 weight  0.10000E+01 volume  0.77900E+00 ppm1      7.944 ppm2      0.750
 ASSI (
     (segid "    " and resid "160 " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "159 " and name "HB  ")
  OR 
     (segid "    " and resid "42  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  7961 weight  0.10000E+01 volume  0.29550E+01 ppm1      7.944 ppm2      1.893
 ASSI (
     (segid "    " and resid "160 " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "160 " and name "HB2 ")
  OR 
     (segid "    " and resid "42  " and name "HG1 ")
  OR 
     (segid "    " and resid "40  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7962 weight  0.10000E+01 volume  0.16180E+01 ppm1      7.937 ppm2      1.282
 ASSI (
     (segid "    " and resid "160 " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "160 " and name "HB2 ")
  OR 
     (segid "    " and resid "42  " and name "HG1 ")
  OR 
     (segid "    " and resid "40  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7963 weight  0.10000E+01 volume  0.16180E+01 ppm1      7.941 ppm2      1.278
 ASSI (
     (segid "    " and resid "91  " and name "HN  ")
 )(
     (segid "    " and resid "90  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7964 weight  0.10000E+01 volume  0.58000E+00 ppm1      7.938 ppm2      2.563
 ASSI (
     (segid "    " and resid "160 " and name "HN  ")
  OR 
     (segid "    " and resid "116 " and name "HN  ")
  OR 
     (segid "    " and resid "91  " and name "HN  ")
 )(
     (segid "    " and resid "159 " and name "HG12")
  OR 
     (segid "    " and resid "156 " and name "HB2 ")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
  OR 
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
  OR 
     (segid "    " and resid "94  " and name "HG13")
  OR 
     (segid "    " and resid "94  " and name "HG12")
  OR 
     (segid "    " and resid "94  " and name "HG11")
  OR 
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )
      5.000     5.000     0.000 peak  7965 weight  0.10000E+01 volume  0.95200E+00 ppm1      7.939 ppm2      1.140
 ASSI (
     (segid "    " and resid "160 " and name "HN  ")
  OR 
     (segid "    " and resid "91  " and name "HN  ")
 )(
     (segid "    " and resid "159 " and name "HG12")
  OR 
     (segid "    " and resid "156 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
  OR 
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )
      5.000     5.000     0.000 peak  7966 weight  0.10000E+01 volume  0.95200E+00 ppm1      7.934 ppm2      1.128
 ASSI (
     (segid "    " and resid "116 " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "115 " and name "HB1 ")
  OR 
     (segid "    " and resid "8   " and name "HB  ")
 )
      5.000     5.000     0.000 peak  7967 weight  0.10000E+01 volume  0.10690E+01 ppm1      7.896 ppm2      2.187
 ASSI (
     (segid "    " and resid "116 " and name "HN  ")
  OR 
     (segid "    " and resid "91  " and name "HN  ")
 )(
     (segid "    " and resid "128 " and name "HG  ")
  OR 
     (segid "    " and resid "115 " and name "HG  ")
  OR 
     (segid "    " and resid "92  " and name "HB1 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  7968 weight  0.10000E+01 volume  0.17240E+01 ppm1      7.905 ppm2      2.047
 ASSI (
     (segid "    " and resid "164 " and name "HN  ")
 )(
     (segid "    " and resid "163 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  7970 weight  0.10000E+01 volume  0.24000E+00 ppm1      7.604 ppm2      3.268
 ASSI (
     (segid "    " and resid "91  " and name "HN  ")
  OR 
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "88  " and name "HD2 ")
  OR 
     (segid "    " and resid "88  " and name "HD1 ")
  OR 
     (segid "    " and resid "45  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  7971 weight  0.10000E+01 volume  0.12410E+01 ppm1      7.932 ppm2      7.443
 ASSI (
     (segid "    " and resid "43  " and name "HN  ")
 )(
     (segid "    " and resid "42  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  7972 weight  0.10000E+01 volume  0.41000E+00 ppm1      7.929 ppm2      9.849
 ASSI (
     (segid "    " and resid "77  " and name "HN  ")
  OR 
     (segid "    " and resid "22  " and name "HN  ")
 )(
     (segid "    " and resid "75  " and name "HB1 ")
  OR 
     (segid "    " and resid "17  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7973 weight  0.10000E+01 volume  0.63600E+00 ppm1      8.150 ppm2      4.138
 ASSI (
     (segid "    " and resid "77  " and name "HN  ")
  OR 
     (segid "    " and resid "22  " and name "HN  ")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
  OR 
     (segid "    " and resid "25  " and name "HB1 ")
  OR 
     (segid "    " and resid "20  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7974 weight  0.10000E+01 volume  0.12300E+01 ppm1      8.157 ppm2      1.970
 ASSI (
     (segid "    " and resid "26  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HD13")
  OR 
     (segid "    " and resid "26  " and name "HG23")
  OR 
     (segid "    " and resid "26  " and name "HG22")
  OR 
     (segid "    " and resid "26  " and name "HG21")
 )
      5.000     5.000     0.000 peak  7977 weight  0.10000E+01 volume  0.14770E+01 ppm1      8.129 ppm2      0.798
 ASSI (
     (segid "    " and resid "165 " and name "HN  ")
  OR 
     (segid "    " and resid "26  " and name "HN  ")
 )(
     (segid "    " and resid "166 " and name "HD13")
  OR 
     (segid "    " and resid "166 " and name "HD12")
  OR 
     (segid "    " and resid "134 " and name "HD12")
  OR 
     (segid "    " and resid "134 " and name "HD11")
  OR 
     (segid "    " and resid "26  " and name "HG12")
  OR 
     (segid "    " and resid "26  " and name "HG11")
 )
      3.300     3.300     0.000 peak  7978 weight  0.10000E+01 volume  0.35410E+01 ppm1      8.132 ppm2      0.912
 ASSI (
     (segid "    " and resid "26  " and name "HN  ")
 )(
     (segid "    " and resid "17  " and name "HB3 ")
  OR 
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7979 weight  0.10000E+01 volume  0.13030E+01 ppm1      8.131 ppm2      1.500
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7981 weight  0.10000E+01 volume  0.93500E+00 ppm1      7.134 ppm2      1.918
 ASSI (
     (segid "    " and resid "118 " and name "HN  ")
  OR 
     (segid "    " and resid "26  " and name "HN  ")
 )(
     (segid "    " and resid "118 " and name "HG2 ")
  OR 
     (segid "    " and resid "25  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7982 weight  0.10000E+01 volume  0.13280E+01 ppm1      8.123 ppm2      1.610
 ASSI (
     (segid "    " and resid "118 " and name "HN  ")
  OR 
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "151 " and name "HD1 ")
  OR 
     (segid "    " and resid "118 " and name "HD2 ")
  OR 
     (segid "    " and resid "118 " and name "HD1 ")
  OR 
     (segid "    " and resid "32  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  7983 weight  0.10000E+01 volume  0.53700E+00 ppm1      8.116 ppm2      3.265
 ASSI (
     (segid "    " and resid "118 " and name "HN  ")
 )(
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
 )
      5.000     5.000     0.000 peak  7984 weight  0.10000E+01 volume  0.12110E+01 ppm1      8.116 ppm2      1.183
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
  OR 
     (segid "    " and resid "26  " and name "HN  ")
 )(
     (segid "    " and resid "28  " and name "HG2 ")
  OR 
     (segid "    " and resid "27  " and name "HG2 ")
  OR 
     (segid "    " and resid "17  " and name "HB3 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7985 weight  0.10000E+01 volume  0.15800E+01 ppm1      8.129 ppm2      1.498
 ASSI (
     (segid "    " and resid "35  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HD23")
  OR 
     (segid "    " and resid "34  " and name "HD22")
  OR 
     (segid "    " and resid "34  " and name "HD21")
  OR 
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD22")
  OR 
     (segid "    " and resid "30  " and name "HD21")
  OR 
     (segid "    " and resid "29  " and name "HD22")
 )
      5.000     5.000     0.000 peak  7986 weight  0.10000E+01 volume  0.48000E+00 ppm1      7.973 ppm2      0.792
 ASSI (
     (segid "    " and resid "118 " and name "HN  ")
  OR 
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "118 " and name "HG2 ")
  OR 
     (segid "    " and resid "28  " and name "HG1 ")
  OR 
     (segid "    " and resid "27  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  7987 weight  0.10000E+01 volume  0.15050E+01 ppm1      8.130 ppm2      1.661
 ASSI (
     (segid "    " and resid "118 " and name "HN  ")
  OR 
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "118 " and name "HG1 ")
  OR 
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  7988 weight  0.10000E+01 volume  0.66460E+01 ppm1      8.140 ppm2      1.957
 ASSI (
     (segid "    " and resid "73  " and name "HN  ")
  OR 
     (segid "    " and resid "35  " and name "HN  ")
 )(
     (segid "    " and resid "77  " and name "HB  ")
  OR 
     (segid "    " and resid "30  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7989 weight  0.10000E+01 volume  0.12100E+01 ppm1      7.979 ppm2      4.242
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  7990 weight  0.10000E+01 volume  0.43200E+00 ppm1      8.138 ppm2      4.617
 ASSI (
     (segid "    " and resid "73  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HE22")
 )
      6.000     6.000     0.000 peak  7992 weight  0.10000E+01 volume  0.23200E+00 ppm1      7.994 ppm2      6.115
 ASSI (
     (segid "    " and resid "73  " and name "HN  ")
  OR 
     (segid "    " and resid "35  " and name "HN  ")
 )(
     (segid "    " and resid "76  " and name "HN  ")
  OR 
     (segid "    " and resid "75  " and name "HN  ")
  OR 
     (segid "    " and resid "32  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  7993 weight  0.10000E+01 volume  0.44800E+00 ppm1      7.991 ppm2      8.362
 ASSI (
     (segid "    " and resid "73  " and name "HN  ")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  7994 weight  0.10000E+01 volume  0.96100E+00 ppm1      7.983 ppm2      1.973
 ASSI (
     (segid "    " and resid "73  " and name "HN  ")
 )(
     (segid "    " and resid "72  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  7995 weight  0.10000E+01 volume  0.55700E+00 ppm1      7.993 ppm2      1.834
 ASSI (
     (segid "    " and resid "125 " and name "HN  ")
  OR 
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "116 " and name "HB3 ")
  OR 
     (segid "    " and resid "116 " and name "HB2 ")
  OR 
     (segid "    " and resid "116 " and name "HB1 ")
  OR 
     (segid "    " and resid "27  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  7996 weight  0.10000E+01 volume  0.12290E+01 ppm1      8.137 ppm2      1.501
 ASSI (
     (segid "    " and resid "125 " and name "HN  ")
  OR 
     (segid "    " and resid "95  " and name "HN  ")
 )(
     (segid "    " and resid "125 " and name "HG23")
  OR 
     (segid "    " and resid "125 " and name "HG22")
  OR 
     (segid "    " and resid "125 " and name "HG21")
  OR 
     (segid "    " and resid "95  " and name "HD23")
  OR 
     (segid "    " and resid "95  " and name "HD22")
 )
      2.700     2.700     0.000 peak  7997 weight  0.10000E+01 volume  0.44040E+01 ppm1      8.130 ppm2      0.912
 ASSI (
     (segid "    " and resid "95  " and name "HN  ")
 )(
     (segid "    " and resid "95  " and name "HD13")
  OR 
     (segid "    " and resid "95  " and name "HD12")
 )
      5.000     5.000     0.000 peak  7998 weight  0.10000E+01 volume  0.15520E+01 ppm1      8.127 ppm2      0.730
 ASSI (
     (segid "    " and resid "125 " and name "HN  ")
  OR 
     (segid "    " and resid "95  " and name "HN  ")
 )(
     (segid "    " and resid "125 " and name "HB  ")
  OR 
     (segid "    " and resid "94  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  7999 weight  0.10000E+01 volume  0.32410E+01 ppm1      8.125 ppm2      2.234
 ASSI (
     (segid "    " and resid "125 " and name "HN  ")
  OR 
     (segid "    " and resid "95  " and name "HN  ")
 )(
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "96  " and name "HA  ")
  OR 
     (segid "    " and resid "91  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8000 weight  0.10000E+01 volume  0.11800E+01 ppm1      8.130 ppm2      3.764
 ASSI (
     (segid "    " and resid "8   " and name "HN  ")
 )(
     (segid "    " and resid "8   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8001 weight  0.10000E+01 volume  0.13530E+01 ppm1      8.332 ppm2      4.226
 ASSI (
     (segid "    " and resid "138 " and name "HN  ")
 )(
     (segid "    " and resid "137 " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  8002 weight  0.10000E+01 volume  0.34900E+00 ppm1      7.709 ppm2      1.408
 ASSI (
     (segid "    " and resid "14  " and name "HN  ")
 )(
     (segid "    " and resid "16  " and name "HA1 ")
  OR 
     (segid "    " and resid "15  " and name "HA  ")
  OR 
     (segid "    " and resid "10  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8003 weight  0.10000E+01 volume  0.26100E+00 ppm1      8.341 ppm2      3.921
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HA1 ")
 )
      5.000     5.000     0.000 peak  8005 weight  0.10000E+01 volume  0.30300E+00 ppm1      8.018 ppm2      4.413
 ASSI (
     (segid "    " and resid "92  " and name "HN  ")
  OR 
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "91  " and name "HA  ")
  OR 
     (segid "    " and resid "66  " and name "HA2 ")
 )
      5.000     5.000     0.000 peak  8006 weight  0.10000E+01 volume  0.11900E+01 ppm1      8.030 ppm2      3.771
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8007 weight  0.10000E+01 volume  0.82400E+00 ppm1      8.039 ppm2      1.957
 ASSI (
     (segid "    " and resid "153 " and name "HN  ")
  OR 
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "151 " and name "HG2 ")
  OR 
     (segid "    " and resid "151 " and name "HG1 ")
  OR 
     (segid "    " and resid "151 " and name "HB2 ")
  OR 
     (segid "    " and resid "40  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  8008 weight  0.10000E+01 volume  0.55900E+00 ppm1      7.835 ppm2      1.792
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HB3 ")
  OR 
     (segid "    " and resid "47  " and name "HB2 ")
  OR 
     (segid "    " and resid "47  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8009 weight  0.10000E+01 volume  0.41000E+00 ppm1      7.859 ppm2      1.251
 ASSI (
     (segid "    " and resid "100 " and name "HN  ")
  OR 
     (segid "    " and resid "5   " and name "HN  ")
  OR 
     (segid "    " and resid "4   " and name "HN  ")
 )(
     (segid "    " and resid "95  " and name "HB1 ")
  OR 
     (segid "    " and resid "6   " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  8011 weight  0.10000E+01 volume  0.10800E+00 ppm1      8.256 ppm2      2.251
 ASSI (
     (segid "    " and resid "100 " and name "HN  ")
  OR 
     (segid "    " and resid "4   " and name "HN  ")
 )(
     (segid "    " and resid "102 " and name "HG23")
  OR 
     (segid "    " and resid "102 " and name "HG22")
  OR 
     (segid "    " and resid "102 " and name "HG21")
  OR 
     (segid "    " and resid "4   " and name "HD23")
  OR 
     (segid "    " and resid "4   " and name "HD22")
  OR 
     (segid "    " and resid "4   " and name "HD21")
 )
      6.000     6.000     0.000 peak  8012 weight  0.10000E+01 volume  0.23200E+00 ppm1      8.264 ppm2      0.836
 ASSI (
     (segid "    " and resid "100 " and name "HN  ")
  OR 
     (segid "    " and resid "5   " and name "HN  ")
  OR 
     (segid "    " and resid "4   " and name "HN  ")
 )(
     (segid "    " and resid "95  " and name "HD23")
  OR 
     (segid "    " and resid "5   " and name "HD11")
  OR 
     (segid "    " and resid "4   " and name "HD13")
  OR 
     (segid "    " and resid "4   " and name "HD12")
  OR 
     (segid "    " and resid "4   " and name "HD11")
 )
      6.000     6.000     0.000 peak  8013 weight  0.10000E+01 volume  0.28100E+00 ppm1      8.264 ppm2      0.956
 ASSI (
     (segid "    " and resid "100 " and name "HN  ")
 )(
     (segid "    " and resid "69  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8014 weight  0.10000E+01 volume  0.58600E+00 ppm1      8.260 ppm2      1.694
 ASSI (
     (segid "    " and resid "111 " and name "HN  ")
 )(
     (segid "    " and resid "136 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  8016 weight  0.10000E+01 volume  0.11600E+00 ppm1      9.445 ppm2      6.798
 ASSI (
     (segid "    " and resid "5   " and name "HN  ")
 )(
     (segid "    " and resid "5   " and name "HG  ")
  OR 
     (segid "    " and resid "5   " and name "HB2 ")
  OR 
     (segid "    " and resid "4   " and name "HG  ")
  OR 
     (segid "    " and resid "4   " and name "HB2 ")
  OR 
     (segid "    " and resid "4   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8017 weight  0.10000E+01 volume  0.89700E+00 ppm1      8.220 ppm2      1.639
 ASSI (
     (segid "    " and resid "5   " and name "HN  ")
 )(
     (segid "    " and resid "5   " and name "HA  ")
  OR 
     (segid "    " and resid "4   " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8018 weight  0.10000E+01 volume  0.89400E+00 ppm1      8.218 ppm2      4.380
 ASSI (
     (segid "    " and resid "8   " and name "HN  ")
 )(
     (segid "    " and resid "8   " and name "HG23")
  OR 
     (segid "    " and resid "8   " and name "HG21")
  OR 
     (segid "    " and resid "8   " and name "HG13")
  OR 
     (segid "    " and resid "8   " and name "HG12")
  OR 
     (segid "    " and resid "8   " and name "HG11")
 )
      3.300     3.300     0.000 peak  8024 weight  0.10000E+01 volume  0.22310E+01 ppm1      8.331 ppm2      0.961
 ASSI (
     (segid "    " and resid "8   " and name "HN  ")
 )(
     (segid "    " and resid "8   " and name "HB  ")
 )
      5.000     5.000     0.000 peak  8025 weight  0.10000E+01 volume  0.15440E+01 ppm1      8.329 ppm2      2.147
 ASSI (
     (segid "    " and resid "8   " and name "HN  ")
 )(
     (segid "    " and resid "7   " and name "HA  ")
  OR 
     (segid "    " and resid "6   " and name "HA  ")
 )
      3.300     3.300     0.000 peak  8026 weight  0.10000E+01 volume  0.33800E+01 ppm1      8.328 ppm2      4.336
 ASSI (
     (segid "    " and resid "11  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HB3 ")
  OR 
     (segid "    " and resid "39  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8028 weight  0.10000E+01 volume  0.21500E+00 ppm1      8.764 ppm2      1.404
 ASSI (
     (segid "    " and resid "11  " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
  OR 
     (segid "    " and resid "10  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8030 weight  0.10000E+01 volume  0.50300E+00 ppm1      8.763 ppm2      1.142
 ASSI (
     (segid "    " and resid "12  " and name "HN  ")
 )(
     (segid "    " and resid "13  " and name "HD2 ")
  OR 
     (segid "    " and resid "13  " and name "HD1 ")
  OR 
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8033 weight  0.10000E+01 volume  0.23500E+00 ppm1      8.091 ppm2      3.183
 ASSI (
     (segid "    " and resid "14  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HD23")
  OR 
     (segid "    " and resid "29  " and name "HD22")
  OR 
     (segid "    " and resid "29  " and name "HD21")
  OR 
     (segid "    " and resid "29  " and name "HD13")
  OR 
     (segid "    " and resid "29  " and name "HD12")
 )
      5.000     5.000     0.000 peak  8040 weight  0.10000E+01 volume  0.64600E+00 ppm1      8.337 ppm2      0.765
 ASSI (
     (segid "    " and resid "14  " and name "HN  ")
 )(
     (segid "    " and resid "13  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8041 weight  0.10000E+01 volume  0.18200E+00 ppm1      8.338 ppm2      8.007
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HB3 ")
  OR 
     (segid "    " and resid "39  " and name "HB2 ")
  OR 
     (segid "    " and resid "39  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8046 weight  0.10000E+01 volume  0.38900E+00 ppm1      8.248 ppm2      1.363
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HA  ")
  OR 
     (segid "    " and resid "14  " and name "HA  ")
  OR 
     (segid "    " and resid "13  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8047 weight  0.10000E+01 volume  0.10970E+01 ppm1      8.253 ppm2      4.094
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "35  " and name "HG23")
  OR 
     (segid "    " and resid "14  " and name "HD23")
  OR 
     (segid "    " and resid "14  " and name "HD22")
  OR 
     (segid "    " and resid "14  " and name "HD21")
 )
      5.000     5.000     0.000 peak  8049 weight  0.10000E+01 volume  0.41300E+00 ppm1      8.250 ppm2      0.907
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HB3 ")
  OR 
     (segid "    " and resid "47  " and name "HB2 ")
  OR 
     (segid "    " and resid "47  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8050 weight  0.10000E+01 volume  0.28700E+00 ppm1      8.251 ppm2      1.229
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "15  " and name "HB2 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
  OR 
     (segid "    " and resid "15  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8052 weight  0.10000E+01 volume  0.19000E+01 ppm1      8.257 ppm2      3.945
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "12  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8053 weight  0.10000E+01 volume  0.14900E+00 ppm1      8.257 ppm2      4.612
 ASSI (
     (segid "    " and resid "15  " and name "HN  ")
 )(
     (segid "    " and resid "14  " and name "HD13")
  OR 
     (segid "    " and resid "14  " and name "HD12")
 )
      6.000     6.000     0.000 peak  8054 weight  0.10000E+01 volume  0.25700E+00 ppm1      8.253 ppm2      0.995
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "16  " and name "HA1 ")
  OR 
     (segid "    " and resid "15  " and name "HB2 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
  OR 
     (segid "    " and resid "15  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  8059 weight  0.10000E+01 volume  0.31280E+01 ppm1      8.350 ppm2      3.954
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
  OR 
     (segid "    " and resid "13  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8060 weight  0.10000E+01 volume  0.12180E+01 ppm1      8.347 ppm2      4.164
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
  OR 
     (segid "    " and resid "14  " and name "HA  ")
  OR 
     (segid "    " and resid "13  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8061 weight  0.10000E+01 volume  0.12450E+01 ppm1      8.352 ppm2      4.117
 ASSI (
     (segid "    " and resid "16  " and name "HN  ")
 )(
     (segid "    " and resid "19  " and name "HB3 ")
  OR 
     (segid "    " and resid "19  " and name "HB2 ")
  OR 
     (segid "    " and resid "19  " and name "HB1 ")
  OR 
     (segid "    " and resid "17  " and name "HB3 ")
  OR 
     (segid "    " and resid "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
  OR 
     (segid "    " and resid "14  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  8062 weight  0.10000E+01 volume  0.34300E+00 ppm1      8.341 ppm2      1.539
 ASSI (
     (segid "    " and resid "17  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HG12")
  OR 
     (segid "    " and resid "14  " and name "HD23")
  OR 
     (segid "    " and resid "14  " and name "HD22")
  OR 
     (segid "    " and resid "14  " and name "HD21")
 )
      6.000     6.000     0.000 peak  8066 weight  0.10000E+01 volume  0.28400E+00 ppm1      7.623 ppm2      0.929
 ASSI (
     (segid "    " and resid "17  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HB3 ")
  OR 
     (segid "    " and resid "18  " and name "HB2 ")
  OR 
     (segid "    " and resid "18  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8067 weight  0.10000E+01 volume -0.18300E+00 ppm1      7.620 ppm2      1.300
 ASSI (
     (segid "    " and resid "17  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HB1 ")
  OR 
     (segid "    " and resid "25  " and name "HB1 ")
  OR 
     (segid "    " and resid "20  " and name "HG1 ")
  OR 
     (segid "    " and resid "20  " and name "HB2 ")
  OR 
     (segid "    " and resid "20  " and name "HB1 ")
  OR 
     (segid "    " and resid "14  " and name "HB1 ")
  OR 
     (segid "    " and resid "13  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8068 weight  0.10000E+01 volume -0.56000E-01 ppm1      7.621 ppm2      1.970
 ASSI (
     (segid "    " and resid "17  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HN  ")
  OR 
     (segid "    " and resid "16  " and name "HN  ")
 )
      3.300     3.300     0.000 peak  8069 weight  0.10000E+01 volume  0.27050E+01 ppm1      7.620 ppm2      8.354
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HD21")
  OR 
     (segid "    " and resid "29  " and name "HD23")
  OR 
     (segid "    " and resid "29  " and name "HD22")
  OR 
     (segid "    " and resid "29  " and name "HD21")
  OR 
     (segid "    " and resid "29  " and name "HD13")
  OR 
     (segid "    " and resid "29  " and name "HD12")
  OR 
     (segid "    " and resid "29  " and name "HD11")
 )
      6.000     6.000     0.000 peak  8074 weight  0.10000E+01 volume  0.64000E-01 ppm1      8.369 ppm2      0.767
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HA1 ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8075 weight  0.10000E+01 volume  0.12000E+00 ppm1      8.370 ppm2      4.273
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HG12")
  OR 
     (segid "    " and resid "14  " and name "HD23")
  OR 
     (segid "    " and resid "14  " and name "HD22")
  OR 
     (segid "    " and resid "14  " and name "HD21")
 )
      5.000     5.000     0.000 peak  8077 weight  0.10000E+01 volume  0.11920E+01 ppm1      8.363 ppm2      0.920
 ASSI (
     (segid "    " and resid "18  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
  OR 
     (segid "    " and resid "16  " and name "HA1 ")
  OR 
     (segid "    " and resid "15  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8078 weight  0.10000E+01 volume  0.57600E+00 ppm1      8.360 ppm2      3.943
 ASSI (
     (segid "    " and resid "19  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8085 weight  0.10000E+01 volume  0.20700E+00 ppm1      8.965 ppm2      3.447
 ASSI (
     (segid "    " and resid "19  " and name "HN  ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8086 weight  0.10000E+01 volume  0.13900E+00 ppm1      8.957 ppm2      4.113
 ASSI (
     (segid "    " and resid "19  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HA  ")
  OR 
     (segid "    " and resid "16  " and name "HA2 ")
 )
      5.000     5.000     0.000 peak  8087 weight  0.10000E+01 volume  0.46300E+00 ppm1      8.964 ppm2      3.846
 ASSI (
     (segid "    " and resid "19  " and name "HN  ")
 )(
     (segid "    " and resid "50  " and name "HG23")
  OR 
     (segid "    " and resid "50  " and name "HG22")
  OR 
     (segid "    " and resid "50  " and name "HG21")
 )
      5.000     5.000     0.000 peak  8088 weight  0.10000E+01 volume  0.37500E+00 ppm1      8.963 ppm2      0.909
 ASSI (
     (segid "    " and resid "20  " and name "HN  ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8096 weight  0.10000E+01 volume  0.14700E+00 ppm1      7.420 ppm2      4.154
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "52  " and name "HE3 ")
  OR 
     (segid "    " and resid "52  " and name "HE1 ")
  OR 
     (segid "    " and resid "52  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8107 weight  0.10000E+01 volume  0.57400E+00 ppm1      7.905 ppm2      2.090
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
 )
      5.000     5.000     0.000 peak  8108 weight  0.10000E+01 volume  0.56600E+00 ppm1      7.904 ppm2      0.987
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "52  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8109 weight  0.10000E+01 volume  0.50000E+00 ppm1      7.904 ppm2      1.850
 ASSI (
     (segid "    " and resid "21  " and name "HN  ")
 )(
     (segid "    " and resid "22  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8110 weight  0.10000E+01 volume  0.12000E+00 ppm1      7.901 ppm2      2.451
 ASSI (
     (segid "    " and resid "22  " and name "HN  ")
 )(
     (segid "    " and resid "20  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8118 weight  0.10000E+01 volume  0.25100E+00 ppm1      8.155 ppm2      7.413
 ASSI (
     (segid "    " and resid "22  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
  OR 
     (segid "    " and resid "21  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  8119 weight  0.10000E+01 volume  0.16780E+01 ppm1      8.155 ppm2      7.902
 ASSI (
     (segid "    " and resid "22  " and name "HN  ")
 )(
     (segid "    " and resid "21  " and name "HA2 ")
 )
      5.000     5.000     0.000 peak  8120 weight  0.10000E+01 volume  0.40500E+00 ppm1      8.153 ppm2      3.556
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HB  ")
  OR 
     (segid "    " and resid "24  " and name "HB2 ")
  OR 
     (segid "    " and resid "24  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8123 weight  0.10000E+01 volume  0.22300E+00 ppm1      7.880 ppm2      2.200
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "22  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8124 weight  0.10000E+01 volume  0.56000E-01 ppm1      7.873 ppm2      3.058
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HG1 ")
  OR 
     (segid "    " and resid "22  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8125 weight  0.10000E+01 volume  0.30500E+00 ppm1      7.885 ppm2      2.457
 ASSI (
     (segid "    " and resid "23  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HG23")
  OR 
     (segid "    " and resid "23  " and name "HG21")
  OR 
     (segid "    " and resid "23  " and name "HG13")
  OR 
     (segid "    " and resid "23  " and name "HG12")
  OR 
     (segid "    " and resid "23  " and name "HG11")
 )
      3.300     3.300     0.000 peak  8128 weight  0.10000E+01 volume  0.28860E+01 ppm1      7.876 ppm2      0.929
 ASSI (
     (segid "    " and resid "24  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HN  ")
  OR 
     (segid "    " and resid "22  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8132 weight  0.10000E+01 volume  0.21200E+00 ppm1      8.446 ppm2      8.130
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HG13")
  OR 
     (segid "    " and resid "26  " and name "HG12")
  OR 
     (segid "    " and resid "26  " and name "HG11")
  OR 
     (segid "    " and resid "23  " and name "HG23")
  OR 
     (segid "    " and resid "23  " and name "HG22")
  OR 
     (segid "    " and resid "23  " and name "HG21")
  OR 
     (segid "    " and resid "23  " and name "HG13")
  OR 
     (segid "    " and resid "23  " and name "HG12")
  OR 
     (segid "    " and resid "23  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8146 weight  0.10000E+01 volume  0.34600E+00 ppm1      7.742 ppm2      0.929
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "23  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  8148 weight  0.10000E+01 volume  0.68800E+00 ppm1      7.741 ppm2      7.867
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "25  " and name "HG2 ")
  OR 
     (segid "    " and resid "24  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8149 weight  0.10000E+01 volume  0.17040E+01 ppm1      7.742 ppm2      2.164
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "25  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8150 weight  0.10000E+01 volume  0.18030E+01 ppm1      7.743 ppm2      1.958
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HA  ")
  OR 
     (segid "    " and resid "23  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8151 weight  0.10000E+01 volume  0.14500E+00 ppm1      7.750 ppm2      3.362
 ASSI (
     (segid "    " and resid "25  " and name "HN  ")
 )(
     (segid "    " and resid "24  " and name "HG2 ")
  OR 
     (segid "    " and resid "24  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8152 weight  0.10000E+01 volume  0.31800E+00 ppm1      7.739 ppm2      2.480
 ASSI (
     (segid "    " and resid "26  " and name "HN  ")
 )(
     (segid "    " and resid "26  " and name "HA  ")
  OR 
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8160 weight  0.10000E+01 volume  0.15520E+01 ppm1      8.130 ppm2      3.380
 ASSI (
     (segid "    " and resid "28  " and name "HN  ")
 )(
     (segid "    " and resid "28  " and name "HA  ")
  OR 
     (segid "    " and resid "24  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8165 weight  0.10000E+01 volume  0.19290E+01 ppm1      8.145 ppm2      4.007
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "35  " and name "HG23")
  OR 
     (segid "    " and resid "35  " and name "HG22")
  OR 
     (segid "    " and resid "35  " and name "HG21")
  OR 
     (segid "    " and resid "35  " and name "HG13")
  OR 
     (segid "    " and resid "35  " and name "HG12")
  OR 
     (segid "    " and resid "35  " and name "HG11")
  OR 
     (segid "    " and resid "26  " and name "HG13")
  OR 
     (segid "    " and resid "26  " and name "HG12")
  OR 
     (segid "    " and resid "26  " and name "HG11")
  OR 
     (segid "    " and resid "14  " and name "HD23")
  OR 
     (segid "    " and resid "14  " and name "HD21")
 )
      5.000     5.000     0.000 peak  8167 weight  0.10000E+01 volume  0.10560E+01 ppm1      8.570 ppm2      0.932
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HN  ")
  OR 
     (segid "    " and resid "28  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  8168 weight  0.10000E+01 volume  0.13720E+01 ppm1      8.567 ppm2      8.142
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "28  " and name "HG2 ")
  OR 
     (segid "    " and resid "25  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8169 weight  0.10000E+01 volume  0.79800E+00 ppm1      8.575 ppm2      1.569
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HB2 ")
  OR 
     (segid "    " and resid "26  " and name "HB  ")
  OR 
     (segid "    " and resid "25  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  8170 weight  0.10000E+01 volume  0.53000E+00 ppm1      8.572 ppm2      2.129
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "33  " and name "HG1 ")
  OR 
     (segid "    " and resid "25  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  8171 weight  0.10000E+01 volume  0.25300E+00 ppm1      8.571 ppm2      2.343
 ASSI (
     (segid "    " and resid "29  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HB1 ")
  OR 
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  8172 weight  0.10000E+01 volume  0.26120E+01 ppm1      8.567 ppm2      1.976
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HN  ")
  OR 
     (segid "    " and resid "27  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8180 weight  0.10000E+01 volume  0.12500E+00 ppm1      8.145 ppm2      8.394
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD22")
  OR 
     (segid "    " and resid "30  " and name "HD21")
  OR 
     (segid "    " and resid "29  " and name "HD23")
  OR 
     (segid "    " and resid "29  " and name "HD12")
  OR 
     (segid "    " and resid "29  " and name "HD11")
  OR 
     (segid "    " and resid "26  " and name "HG23")
 )
      5.000     5.000     0.000 peak  8181 weight  0.10000E+01 volume  0.10810E+01 ppm1      8.149 ppm2      0.775
 ASSI (
     (segid "    " and resid "30  " and name "HN  ")
 )(
     (segid "    " and resid "35  " and name "HG23")
  OR 
     (segid "    " and resid "35  " and name "HG21")
  OR 
     (segid "    " and resid "35  " and name "HG12")
  OR 
     (segid "    " and resid "35  " and name "HG11")
  OR 
     (segid "    " and resid "30  " and name "HB2 ")
  OR 
     (segid "    " and resid "14  " and name "HD23")
  OR 
     (segid "    " and resid "14  " and name "HD22")
 )
      5.000     5.000     0.000 peak  8183 weight  0.10000E+01 volume  0.11400E+01 ppm1      8.149 ppm2      0.966
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HB1 ")
  OR 
     (segid "    " and resid "30  " and name "HG  ")
  OR 
     (segid "    " and resid "29  " and name "HB1 ")
  OR 
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8192 weight  0.10000E+01 volume  0.24300E+00 ppm1      8.740 ppm2      1.977
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8193 weight  0.10000E+01 volume  0.31700E+00 ppm1      8.744 ppm2      1.057
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8194 weight  0.10000E+01 volume  0.48000E-01 ppm1      8.755 ppm2      3.661
 ASSI (
     (segid "    " and resid "31  " and name "HN  ")
 )(
     (segid "    " and resid "29  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8195 weight  0.10000E+01 volume  0.13300E+00 ppm1      8.747 ppm2      8.542
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HA  ")
  OR 
     (segid "    " and resid "31  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8209 weight  0.10000E+01 volume  0.29500E+00 ppm1      7.544 ppm2      4.663
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HA  ")
  OR 
     (segid "    " and resid "28  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8210 weight  0.10000E+01 volume  0.45400E+00 ppm1      7.543 ppm2      4.013
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "32  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8212 weight  0.10000E+01 volume  0.59400E+00 ppm1      7.539 ppm2      2.075
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "33  " and name "HG2 ")
  OR 
     (segid "    " and resid "32  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8213 weight  0.10000E+01 volume  0.16040E+01 ppm1      7.546 ppm2      2.206
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "33  " and name "HG1 ")
  OR 
     (segid "    " and resid "33  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8215 weight  0.10000E+01 volume  0.13980E+01 ppm1      7.546 ppm2      2.303
 ASSI (
     (segid "    " and resid "33  " and name "HN  ")
 )(
     (segid "    " and resid "33  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8216 weight  0.10000E+01 volume  0.69200E+00 ppm1      7.546 ppm2      2.425
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8219 weight  0.10000E+01 volume  0.20700E+00 ppm1      6.811 ppm2      4.251
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "35  " and name "HB  ")
  OR 
     (segid "    " and resid "34  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8220 weight  0.10000E+01 volume  0.26100E+00 ppm1      6.813 ppm2      1.604
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "34  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8221 weight  0.10000E+01 volume  0.21400E+00 ppm1      6.817 ppm2      1.966
 ASSI (
     (segid "    " and resid "34  " and name "HN  ")
 )(
     (segid "    " and resid "35  " and name "HG22")
  OR 
     (segid "    " and resid "35  " and name "HG13")
  OR 
     (segid "    " and resid "35  " and name "HG11")
  OR 
     (segid "    " and resid "34  " and name "HD13")
  OR 
     (segid "    " and resid "34  " and name "HD12")
  OR 
     (segid "    " and resid "34  " and name "HD11")
 )
      6.000     6.000     0.000 peak  8222 weight  0.10000E+01 volume  0.25800E+00 ppm1      6.815 ppm2      0.948
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HG1 ")
  OR 
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  8235 weight  0.10000E+01 volume -0.11700E+00 ppm1      8.816 ppm2      2.564
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "35  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8236 weight  0.10000E+01 volume -0.12700E+00 ppm1      8.817 ppm2      7.959
 ASSI (
     (segid "    " and resid "36  " and name "HN  ")
 )(
     (segid "    " and resid "39  " and name "HB3 ")
  OR 
     (segid "    " and resid "39  " and name "HB2 ")
  OR 
     (segid "    " and resid "39  " and name "HB1 ")
  OR 
     (segid "    " and resid "14  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8237 weight  0.10000E+01 volume -0.27400E+00 ppm1      8.810 ppm2      1.389
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8244 weight  0.10000E+01 volume  0.19200E+00 ppm1     10.206 ppm2      4.055
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "36  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8245 weight  0.10000E+01 volume  0.69000E-01 ppm1     10.205 ppm2      4.366
 ASSI (
     (segid "    " and resid "38  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HG1 ")
  OR 
     (segid "    " and resid "37  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8246 weight  0.10000E+01 volume  0.13400E+00 ppm1     10.208 ppm2      1.697
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HN  ")
  OR 
     (segid "    " and resid "15  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8252 weight  0.10000E+01 volume  0.17300E+00 ppm1      7.860 ppm2      8.289
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HD23")
  OR 
     (segid "    " and resid "62  " and name "HD22")
  OR 
     (segid "    " and resid "62  " and name "HD21")
  OR 
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
  OR 
     (segid "    " and resid "35  " and name "HG23")
  OR 
     (segid "    " and resid "35  " and name "HG22")
  OR 
     (segid "    " and resid "35  " and name "HG21")
  OR 
     (segid "    " and resid "35  " and name "HG13")
  OR 
     (segid "    " and resid "35  " and name "HG11")
  OR 
     (segid "    " and resid "14  " and name "HD23")
  OR 
     (segid "    " and resid "14  " and name "HD21")
 )
      5.000     5.000     0.000 peak  8253 weight  0.10000E+01 volume  0.52000E+00 ppm1      7.859 ppm2      0.930
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "35  " and name "HG21")
  OR 
     (segid "    " and resid "14  " and name "HD13")
  OR 
     (segid "    " and resid "14  " and name "HD12")
  OR 
     (segid "    " and resid "14  " and name "HD11")
 )
      5.000     5.000     0.000 peak  8254 weight  0.10000E+01 volume  0.56900E+00 ppm1      7.859 ppm2      0.984
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HN  ")
  OR 
     (segid "    " and resid "36  " and name "HN  ")
  OR 
     (segid "    " and resid "11  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8255 weight  0.10000E+01 volume  0.12000E+00 ppm1      7.868 ppm2      8.801
 ASSI (
     (segid "    " and resid "39  " and name "HN  ")
 )(
     (segid "    " and resid "36  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8256 weight  0.10000E+01 volume  0.25500E+00 ppm1      7.866 ppm2      2.880
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "10  " and name "HG23")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG12")
  OR 
     (segid "    " and resid "10  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8263 weight  0.10000E+01 volume  0.40800E+00 ppm1      8.305 ppm2      1.151
 ASSI (
     (segid "    " and resid "40  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HG  ")
  OR 
     (segid "    " and resid "40  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  8266 weight  0.10000E+01 volume  0.29800E+01 ppm1      8.300 ppm2      1.782
 ASSI (
     (segid "    " and resid "42  " and name "HN  ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8283 weight  0.10000E+01 volume  0.63500E+00 ppm1      9.848 ppm2      4.483
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )
      6.000     6.000     0.000 peak  8299 weight  0.10000E+01 volume  0.15000E+00 ppm1      8.494 ppm2      0.922
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8300 weight  0.10000E+01 volume  0.18600E+00 ppm1      8.497 ppm2      1.272
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8301 weight  0.10000E+01 volume  0.10300E+01 ppm1      8.496 ppm2      4.284
 ASSI (
     (segid "    " and resid "44  " and name "HN  ")
 )(
     (segid "    " and resid "43  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8303 weight  0.10000E+01 volume  0.37000E+00 ppm1      8.490 ppm2      4.837
 ASSI (
     (segid "    " and resid "45  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8311 weight  0.10000E+01 volume  0.36300E+00 ppm1      7.453 ppm2      1.274
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "40  " and name "HD23")
  OR 
     (segid "    " and resid "40  " and name "HD22")
  OR 
     (segid "    " and resid "40  " and name "HD21")
 )
      6.000     6.000     0.000 peak  8322 weight  0.10000E+01 volume  0.15300E+00 ppm1      9.203 ppm2      0.671
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "45  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8323 weight  0.10000E+01 volume  0.42100E+00 ppm1      9.208 ppm2      1.859
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  8324 weight  0.10000E+01 volume  0.24400E+00 ppm1      9.211 ppm2      2.709
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "45  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8325 weight  0.10000E+01 volume  0.40600E+00 ppm1      9.203 ppm2      1.547
 ASSI (
     (segid "    " and resid "46  " and name "HN  ")
 )(
     (segid "    " and resid "50  " and name "HG23")
  OR 
     (segid "    " and resid "50  " and name "HG22")
  OR 
     (segid "    " and resid "50  " and name "HG21")
  OR 
     (segid "    " and resid "50  " and name "HG13")
  OR 
     (segid "    " and resid "50  " and name "HG12")
 )
      6.000     6.000     0.000 peak  8326 weight  0.10000E+01 volume  0.20100E+00 ppm1      9.212 ppm2      0.857
 ASSI (
     (segid "    " and resid "47  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
  OR 
     (segid "    " and resid "15  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8331 weight  0.10000E+01 volume  0.23900E+00 ppm1     10.265 ppm2      3.947
 ASSI (
     (segid "    " and resid "48  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HD13")
  OR 
     (segid "    " and resid "62  " and name "HD12")
  OR 
     (segid "    " and resid "62  " and name "HD11")
 )
      5.000     5.000     0.000 peak  8335 weight  0.10000E+01 volume  0.59400E+00 ppm1      8.375 ppm2      0.671
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HG2 ")
  OR 
     (segid "    " and resid "47  " and name "HB3 ")
  OR 
     (segid "    " and resid "47  " and name "HB2 ")
  OR 
     (segid "    " and resid "47  " and name "HB1 ")
  OR 
     (segid "    " and resid "46  " and name "HG23")
  OR 
     (segid "    " and resid "46  " and name "HG22")
  OR 
     (segid "    " and resid "46  " and name "HG21")
 )
      6.000     6.000     0.000 peak  8342 weight  0.10000E+01 volume  0.14800E+00 ppm1      7.385 ppm2      1.201
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8343 weight  0.10000E+01 volume  0.22600E+00 ppm1      7.384 ppm2      1.536
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
  OR 
     (segid "    " and resid "45  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8344 weight  0.10000E+01 volume  0.21100E+00 ppm1      7.371 ppm2      1.867
 ASSI (
     (segid "    " and resid "49  " and name "HN  ")
 )(
     (segid "    " and resid "71  " and name "HG13")
  OR 
     (segid "    " and resid "71  " and name "HG12")
  OR 
     (segid "    " and resid "71  " and name "HG11")
  OR 
     (segid "    " and resid "50  " and name "HG13")
  OR 
     (segid "    " and resid "50  " and name "HG12")
  OR 
     (segid "    " and resid "50  " and name "HG11")
  OR 
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )
      5.000     5.000     0.000 peak  8345 weight  0.10000E+01 volume  0.64100E+00 ppm1      7.378 ppm2      0.840
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8355 weight  0.10000E+01 volume  0.31400E+00 ppm1      7.186 ppm2      2.572
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8356 weight  0.10000E+01 volume  0.11100E+00 ppm1      7.183 ppm2      4.187
 ASSI (
     (segid "    " and resid "50  " and name "HN  ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
  OR 
     (segid "    " and resid "15  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8357 weight  0.10000E+01 volume  0.27300E+00 ppm1      7.189 ppm2      3.950
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HB3 ")
  OR 
     (segid "    " and resid "18  " and name "HB2 ")
  OR 
     (segid "    " and resid "18  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8363 weight  0.10000E+01 volume  0.51000E+00 ppm1      6.855 ppm2      1.317
 ASSI (
     (segid "    " and resid "51  " and name "HN  ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8364 weight  0.10000E+01 volume  0.23600E+00 ppm1      6.845 ppm2      3.785
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "52  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8373 weight  0.10000E+01 volume  0.10870E+01 ppm1      7.135 ppm2      2.092
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "19  " and name "HB3 ")
  OR 
     (segid "    " and resid "19  " and name "HB2 ")
  OR 
     (segid "    " and resid "19  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8374 weight  0.10000E+01 volume  0.41100E+00 ppm1      7.131 ppm2      1.540
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "54  " and name "HN  ")
  OR 
     (segid "    " and resid "21  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8375 weight  0.10000E+01 volume  0.14500E+00 ppm1      7.133 ppm2      7.902
 ASSI (
     (segid "    " and resid "52  " and name "HN  ")
 )(
     (segid "    " and resid "18  " and name "HB3 ")
  OR 
     (segid "    " and resid "18  " and name "HB2 ")
  OR 
     (segid "    " and resid "18  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8376 weight  0.10000E+01 volume  0.58200E+00 ppm1      7.129 ppm2      1.308
 ASSI (
     (segid "    " and resid "53  " and name "HN  ")
 )(
     (segid "    " and resid "52  " and name "HE3 ")
  OR 
     (segid "    " and resid "52  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8381 weight  0.10000E+01 volume -0.31400E+00 ppm1      8.301 ppm2      2.137
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HD2 ")
  OR 
     (segid "    " and resid "20  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  8393 weight  0.10000E+01 volume  0.15900E+00 ppm1      7.499 ppm2      3.372
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "52  " and name "HE3 ")
  OR 
     (segid "    " and resid "52  " and name "HE2 ")
  OR 
     (segid "    " and resid "52  " and name "HE1 ")
  OR 
     (segid "    " and resid "52  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8394 weight  0.10000E+01 volume  0.51700E+00 ppm1      7.500 ppm2      2.139
 ASSI (
     (segid "    " and resid "55  " and name "HN  ")
 )(
     (segid "    " and resid "53  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8395 weight  0.10000E+01 volume  0.27000E+00 ppm1      7.500 ppm2      8.312
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HD1 ")
  OR 
     (segid "    " and resid "55  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8402 weight  0.10000E+01 volume  0.39000E+00 ppm1      8.048 ppm2      3.983
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "94  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
  OR 
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG11")
  OR 
     (segid "    " and resid "23  " and name "HG23")
  OR 
     (segid "    " and resid "23  " and name "HG22")
  OR 
     (segid "    " and resid "23  " and name "HG21")
  OR 
     (segid "    " and resid "23  " and name "HG13")
  OR 
     (segid "    " and resid "23  " and name "HG12")
  OR 
     (segid "    " and resid "23  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8403 weight  0.10000E+01 volume  0.31000E+00 ppm1      8.048 ppm2      0.944
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "55  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8404 weight  0.10000E+01 volume  0.14900E+00 ppm1      8.044 ppm2      5.060
 ASSI (
     (segid "    " and resid "57  " and name "HN  ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8406 weight  0.10000E+01 volume  0.21400E+00 ppm1      8.046 ppm2      4.300
 ASSI (
     (segid "    " and resid "58  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HG  ")
  OR 
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
  OR 
     (segid "    " and resid "27  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  8413 weight  0.10000E+01 volume  0.24200E+00 ppm1      7.804 ppm2      1.679
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "58  " and name "HG22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8421 weight  0.10000E+01 volume  0.12750E+01 ppm1      7.066 ppm2      0.959
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  8422 weight  0.10000E+01 volume  0.26200E+00 ppm1      7.072 ppm2      1.684
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )
      6.000     6.000     0.000 peak  8423 weight  0.10000E+01 volume  0.26500E+00 ppm1      7.069 ppm2      1.152
 ASSI (
     (segid "    " and resid "59  " and name "HN  ")
 )(
     (segid "    " and resid "57  " and name "HB3 ")
  OR 
     (segid "    " and resid "57  " and name "HB2 ")
  OR 
     (segid "    " and resid "57  " and name "HB1 ")
  OR 
     (segid "    " and resid "51  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8424 weight  0.10000E+01 volume  0.38000E+00 ppm1      7.064 ppm2      1.427
 ASSI (
     (segid "    " and resid "60  " and name "HN  ")
 )(
     (segid "    " and resid "94  " and name "HG23")
  OR 
     (segid "    " and resid "94  " and name "HG22")
  OR 
     (segid "    " and resid "94  " and name "HG21")
  OR 
     (segid "    " and resid "60  " and name "HD21")
  OR 
     (segid "    " and resid "60  " and name "HD12")
 )
      5.000     5.000     0.000 peak  8436 weight  0.10000E+01 volume  0.18740E+01 ppm1      8.386 ppm2      0.958
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "60  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8441 weight  0.10000E+01 volume  0.58800E+00 ppm1      7.636 ppm2      1.637
 ASSI (
     (segid "    " and resid "61  " and name "HN  ")
 )(
     (segid "    " and resid "94  " and name "HG23")
  OR 
     (segid "    " and resid "60  " and name "HD23")
  OR 
     (segid "    " and resid "60  " and name "HD22")
  OR 
     (segid "    " and resid "60  " and name "HD21")
  OR 
     (segid "    " and resid "60  " and name "HD13")
  OR 
     (segid "    " and resid "60  " and name "HD12")
  OR 
     (segid "    " and resid "60  " and name "HD11")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "26  " and name "HG13")
  OR 
     (segid "    " and resid "26  " and name "HG12")
  OR 
     (segid "    " and resid "26  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8443 weight  0.10000E+01 volume  0.61400E+00 ppm1      7.634 ppm2      0.944
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8452 weight  0.10000E+01 volume  0.78500E+00 ppm1      7.504 ppm2      1.151
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HD21")
  OR 
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
  OR 
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD21")
  OR 
     (segid "    " and resid "26  " and name "HG23")
  OR 
     (segid "    " and resid "26  " and name "HG22")
  OR 
     (segid "    " and resid "26  " and name "HG21")
 )
      5.000     5.000     0.000 peak  8453 weight  0.10000E+01 volume  0.70500E+00 ppm1      7.509 ppm2      0.807
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HD23")
  OR 
     (segid "    " and resid "62  " and name "HD22")
  OR 
     (segid "    " and resid "62  " and name "HD21")
 )
      5.000     5.000     0.000 peak  8454 weight  0.10000E+01 volume  0.83600E+00 ppm1      7.499 ppm2      0.914
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8455 weight  0.10000E+01 volume  0.72800E+00 ppm1      7.505 ppm2      1.204
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "61  " and name "HB2 ")
  OR 
     (segid "    " and resid "61  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8456 weight  0.10000E+01 volume  0.91700E+00 ppm1      7.506 ppm2      1.967
 ASSI (
     (segid "    " and resid "62  " and name "HN  ")
 )(
     (segid "    " and resid "62  " and name "HD13")
  OR 
     (segid "    " and resid "62  " and name "HD12")
  OR 
     (segid "    " and resid "30  " and name "HD13")
  OR 
     (segid "    " and resid "30  " and name "HD12")
  OR 
     (segid "    " and resid "30  " and name "HD11")
 )
      5.000     5.000     0.000 peak  8459 weight  0.10000E+01 volume  0.57600E+00 ppm1      7.510 ppm2      0.673
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HB1 ")
  OR 
     (segid "    " and resid "62  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8464 weight  0.10000E+01 volume  0.12760E+01 ppm1      8.594 ppm2      1.207
 ASSI (
     (segid "    " and resid "63  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HD21")
  OR 
     (segid "    " and resid "63  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8468 weight  0.10000E+01 volume  0.17940E+01 ppm1      8.593 ppm2      0.849
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "60  " and name "HD23")
  OR 
     (segid "    " and resid "60  " and name "HD22")
  OR 
     (segid "    " and resid "60  " and name "HD21")
  OR 
     (segid "    " and resid "60  " and name "HD13")
  OR 
     (segid "    " and resid "60  " and name "HD12")
 )
      5.000     5.000     0.000 peak  8473 weight  0.10000E+01 volume  0.53800E+00 ppm1      8.961 ppm2      0.958
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "60  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8474 weight  0.10000E+01 volume  0.20800E+00 ppm1      8.954 ppm2      3.652
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HN  ")
  OR 
     (segid "    " and resid "61  " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8475 weight  0.10000E+01 volume  0.14500E+00 ppm1      8.953 ppm2      7.636
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
  OR 
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8476 weight  0.10000E+01 volume  0.38700E+00 ppm1      8.952 ppm2      3.878
 ASSI (
     (segid "    " and resid "64  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
  OR 
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8478 weight  0.10000E+01 volume  0.39500E+00 ppm1      8.952 ppm2      3.901
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "66  " and name "HA2 ")
  OR 
     (segid "    " and resid "62  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8488 weight  0.10000E+01 volume  0.14000E+00 ppm1      7.003 ppm2      3.754
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "64  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8489 weight  0.10000E+01 volume  0.35200E+00 ppm1      7.006 ppm2      4.095
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "30  " and name "HD13")
  OR 
     (segid "    " and resid "30  " and name "HD12")
  OR 
     (segid "    " and resid "30  " and name "HD11")
 )
      6.000     6.000     0.000 peak  8490 weight  0.10000E+01 volume  0.20600E+00 ppm1      7.002 ppm2      0.674
 ASSI (
     (segid "    " and resid "65  " and name "HN  ")
 )(
     (segid "    " and resid "64  " and name "HD2 ")
  OR 
     (segid "    " and resid "64  " and name "HG2 ")
  OR 
     (segid "    " and resid "64  " and name "HG1 ")
  OR 
     (segid "    " and resid "37  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  8491 weight  0.10000E+01 volume  0.24400E+00 ppm1      7.005 ppm2      1.654
 ASSI (
     (segid "    " and resid "65  " and name "HE21")
 )(
     (segid "    " and resid "65  " and name "HE22")
 )
      2.700     2.700     0.000 peak  8501 weight  0.10000E+01 volume  0.94450E+01 ppm1      7.286 ppm2      6.796
 ASSI (
     (segid "    " and resid "65  " and name "HE21")
 )(
     (segid "    " and resid "65  " and name "HG1 ")
  OR 
     (segid "    " and resid "37  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  8503 weight  0.10000E+01 volume  0.42400E+00 ppm1      7.279 ppm2      2.563
 ASSI (
     (segid "    " and resid "65  " and name "HE21")
 )(
     (segid "    " and resid "65  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  8504 weight  0.10000E+01 volume  0.38600E+00 ppm1      7.276 ppm2      2.456
 ASSI (
     (segid "    " and resid "65  " and name "HE22")
 )(
     (segid "    " and resid "65  " and name "HE21")
 )
      2.700     2.700     0.000 peak  8505 weight  0.10000E+01 volume  0.14511E+02 ppm1      6.794 ppm2      7.285
 ASSI (
     (segid "    " and resid "66  " and name "HN  ")
 )(
     (segid "    " and resid "65  " and name "HN  ")
 )
      5.000     5.000     0.000 peak  8508 weight  0.10000E+01 volume -0.10560E+01 ppm1      7.594 ppm2      6.994
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8510 weight  0.10000E+01 volume  0.19330E+01 ppm1      8.027 ppm2      3.897
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "37  " and name "HG1 ")
  OR 
     (segid "    " and resid "37  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8511 weight  0.10000E+01 volume  0.12440E+01 ppm1      8.025 ppm2      1.678
 ASSI (
     (segid "    " and resid "67  " and name "HN  ")
 )(
     (segid "    " and resid "63  " and name "HD23")
  OR 
     (segid "    " and resid "63  " and name "HD22")
  OR 
     (segid "    " and resid "63  " and name "HD21")
  OR 
     (segid "    " and resid "62  " and name "HD23")
  OR 
     (segid "    " and resid "62  " and name "HD22")
  OR 
     (segid "    " and resid "62  " and name "HD21")
  OR 
     (segid "    " and resid "48  " and name "HD12")
 )
      5.000     5.000     0.000 peak  8512 weight  0.10000E+01 volume  0.85000E+00 ppm1      8.031 ppm2      0.851
 ASSI (
     (segid "    " and resid "68  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HB2 ")
  OR 
     (segid "    " and resid "68  " and name "HB1 ")
  OR 
     (segid "    " and resid "67  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  8519 weight  0.10000E+01 volume  0.36540E+01 ppm1     10.195 ppm2      4.020
 ASSI (
     (segid "    " and resid "68  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HB2 ")
  OR 
     (segid "    " and resid "68  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  8521 weight  0.10000E+01 volume  0.35800E+01 ppm1     10.196 ppm2      3.973
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "71  " and name "HG13")
  OR 
     (segid "    " and resid "71  " and name "HG12")
  OR 
     (segid "    " and resid "71  " and name "HG11")
  OR 
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )
      5.000     5.000     0.000 peak  8522 weight  0.10000E+01 volume  0.74400E+00 ppm1      7.985 ppm2      0.834
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "71  " and name "HG23")
  OR 
     (segid "    " and resid "71  " and name "HG22")
  OR 
     (segid "    " and resid "71  " and name "HG21")
 )
      5.000     5.000     0.000 peak  8523 weight  0.10000E+01 volume  0.77800E+00 ppm1      7.985 ppm2      0.919
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "71  " and name "HN  ")
  OR 
     (segid "    " and resid "70  " and name "HD22")
 )
      5.000     5.000     0.000 peak  8524 weight  0.10000E+01 volume  0.78400E+00 ppm1      7.985 ppm2      6.884
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "68  " and name "HB2 ")
  OR 
     (segid "    " and resid "68  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8526 weight  0.10000E+01 volume  0.83800E+00 ppm1      7.980 ppm2      3.973
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "69  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  8527 weight  0.10000E+01 volume  0.58100E+00 ppm1      7.981 ppm2      1.820
 ASSI (
     (segid "    " and resid "70  " and name "HN  ")
 )(
     (segid "    " and resid "69  " and name "HD2 ")
  OR 
     (segid "    " and resid "69  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  8528 weight  0.10000E+01 volume  0.10610E+01 ppm1      7.981 ppm2      4.095
 ASSI (
     (segid "    " and resid "70  " and name "HD22")
 )(
     (segid "    " and resid "101 " and name "HB1 ")
  OR 
     (segid "    " and resid "70  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8533 weight  0.10000E+01 volume  0.49300E+00 ppm1      6.882 ppm2      2.800
 ASSI (
     (segid "    " and resid "70  " and name "HD22")
 )(
     (segid "    " and resid "70  " and name "HD21")
 )
      3.300     3.300     0.000 peak  8535 weight  0.10000E+01 volume  0.29340E+01 ppm1      6.884 ppm2      7.864
 ASSI (
     (segid "    " and resid "71  " and name "HN  ")
 )(
     (segid "    " and resid "78  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8536 weight  0.10000E+01 volume  0.59800E+00 ppm1      6.892 ppm2      4.418
 ASSI (
     (segid "    " and resid "71  " and name "HN  ")
 )(
     (segid "    " and resid "78  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8537 weight  0.10000E+01 volume  0.89000E-01 ppm1      6.876 ppm2      5.831
 ASSI (
     (segid "    " and resid "72  " and name "HE21")
 )(
     (segid "    " and resid "72  " and name "HG2 ")
  OR 
     (segid "    " and resid "72  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8557 weight  0.10000E+01 volume  0.11520E+01 ppm1      7.809 ppm2      2.250
 ASSI (
     (segid "    " and resid "72  " and name "HE21")
 )(
     (segid "    " and resid "72  " and name "HE22")
 )
      2.700     2.700     0.000 peak  8558 weight  0.10000E+01 volume  0.13421E+02 ppm1      7.807 ppm2      6.729
 ASSI (
     (segid "    " and resid "72  " and name "HE22")
 )(
     (segid "    " and resid "72  " and name "HE21")
 )
      2.700     2.700     0.000 peak  8559 weight  0.10000E+01 volume  0.12962E+02 ppm1      6.730 ppm2      7.805
 ASSI (
     (segid "    " and resid "77  " and name "HN  ")
 )(
     (segid "    " and resid "77  " and name "HB  ")
  OR 
     (segid "    " and resid "76  " and name "HA1 ")
 )
      3.300     3.300     0.000 peak  8578 weight  0.10000E+01 volume  0.33270E+01 ppm1      8.154 ppm2      4.247
 ASSI (
     (segid "    " and resid "77  " and name "HN  ")
 )(
     (segid "    " and resid "77  " and name "HA  ")
  OR 
     (segid "    " and resid "76  " and name "HA2 ")
 )
      5.000     5.000     0.000 peak  8579 weight  0.10000E+01 volume  0.14280E+01 ppm1      8.151 ppm2      3.781
 ASSI (
     (segid "    " and resid "80  " and name "HN  ")
 )(
     (segid "    " and resid "80  " and name "HG13")
  OR 
     (segid "    " and resid "80  " and name "HG12")
  OR 
     (segid "    " and resid "80  " and name "HG11")
 )
      3.300     3.300     0.000 peak  8591 weight  0.10000E+01 volume  0.34450E+01 ppm1      8.463 ppm2      0.886
 ASSI (
     (segid "    " and resid "80  " and name "HN  ")
 )(
     (segid "    " and resid "78  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8592 weight  0.10000E+01 volume  0.26600E+00 ppm1      8.461 ppm2      4.440
 ASSI (
     (segid "    " and resid "80  " and name "HN  ")
 )(
     (segid "    " and resid "79  " and name "HD2 ")
  OR 
     (segid "    " and resid "78  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8593 weight  0.10000E+01 volume  0.78300E+00 ppm1      8.462 ppm2      4.298
 ASSI (
     (segid "    " and resid "80  " and name "HN  ")
 )(
     (segid "    " and resid "80  " and name "HG23")
  OR 
     (segid "    " and resid "80  " and name "HG22")
 )
      3.300     3.300     0.000 peak  8594 weight  0.10000E+01 volume  0.30860E+01 ppm1      8.464 ppm2      0.810
 ASSI (
     (segid "    " and resid "80  " and name "HN  ")
 )(
     (segid "    " and resid "79  " and name "HG2 ")
  OR 
     (segid "    " and resid "79  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8595 weight  0.10000E+01 volume  0.17830E+01 ppm1      8.463 ppm2      1.984
 ASSI (
     (segid "    " and resid "81  " and name "HN  ")
 )(
     (segid "    " and resid "79  " and name "HD2 ")
  OR 
     (segid "    " and resid "78  " and name "HB2 ")
  OR 
     (segid "    " and resid "77  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  8600 weight  0.10000E+01 volume  0.26600E+00 ppm1      7.711 ppm2      4.291
 ASSI (
     (segid "    " and resid "81  " and name "HN  ")
 )(
     (segid "    " and resid "115 " and name "HD13")
  OR 
     (segid "    " and resid "115 " and name "HD12")
  OR 
     (segid "    " and resid "77  " and name "HG23")
  OR 
     (segid "    " and resid "77  " and name "HG22")
  OR 
     (segid "    " and resid "77  " and name "HG21")
 )
      5.000     5.000     0.000 peak  8601 weight  0.10000E+01 volume  0.62800E+00 ppm1      7.715 ppm2      1.238
 ASSI (
     (segid "    " and resid "81  " and name "HN  ")
 )(
     (segid "    " and resid "78  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8602 weight  0.10000E+01 volume  0.40400E+00 ppm1      7.711 ppm2      4.461
 ASSI (
     (segid "    " and resid "81  " and name "HN  ")
 )(
     (segid "    " and resid "80  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8605 weight  0.10000E+01 volume  0.96500E+00 ppm1      7.711 ppm2      3.688
 ASSI (
     (segid "    " and resid "81  " and name "HN  ")
 )(
     (segid "    " and resid "80  " and name "HG22")
  OR 
     (segid "    " and resid "80  " and name "HG13")
  OR 
     (segid "    " and resid "80  " and name "HG12")
  OR 
     (segid "    " and resid "80  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8606 weight  0.10000E+01 volume  0.10700E+01 ppm1      7.716 ppm2      0.863
 ASSI (
     (segid "    " and resid "82  " and name "HN  ")
 )(
     (segid "    " and resid "81  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8617 weight  0.10000E+01 volume  0.71200E+00 ppm1      7.365 ppm2      3.868
 ASSI (
     (segid "    " and resid "82  " and name "HN  ")
 )(
     (segid "    " and resid "77  " and name "HG23")
  OR 
     (segid "    " and resid "77  " and name "HG22")
  OR 
     (segid "    " and resid "77  " and name "HG21")
 )
      5.000     5.000     0.000 peak  8618 weight  0.10000E+01 volume  0.76600E+00 ppm1      7.362 ppm2      1.240
 ASSI (
     (segid "    " and resid "83  " and name "HN  ")
 )(
     (segid "    " and resid "80  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8627 weight  0.10000E+01 volume  0.48200E+00 ppm1      8.757 ppm2      3.665
 ASSI (
     (segid "    " and resid "83  " and name "HN  ")
 )(
     (segid "    " and resid "82  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8628 weight  0.10000E+01 volume  0.28900E+00 ppm1      8.752 ppm2      4.460
 ASSI (
     (segid "    " and resid "84  " and name "HN  ")
 )(
     (segid "    " and resid "80  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8635 weight  0.10000E+01 volume  0.29200E+00 ppm1      7.848 ppm2      3.682
 ASSI (
     (segid "    " and resid "84  " and name "HN  ")
 )(
     (segid "    " and resid "128 " and name "HG  ")
  OR 
     (segid "    " and resid "115 " and name "HG  ")
  OR 
     (segid "    " and resid "92  " and name "HB1 ")
  OR 
     (segid "    " and resid "85  " and name "HB2 ")
  OR 
     (segid "    " and resid "85  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8636 weight  0.10000E+01 volume  0.49100E+00 ppm1      7.836 ppm2      2.053
 ASSI (
     (segid "    " and resid "85  " and name "HN  ")
 )(
     (segid "    " and resid "124 " and name "HG23")
  OR 
     (segid "    " and resid "124 " and name "HG22")
  OR 
     (segid "    " and resid "124 " and name "HG21")
  OR 
     (segid "    " and resid "124 " and name "HG13")
  OR 
     (segid "    " and resid "124 " and name "HG12")
  OR 
     (segid "    " and resid "124 " and name "HG11")
  OR 
     (segid "    " and resid "92  " and name "HD23")
  OR 
     (segid "    " and resid "92  " and name "HD22")
  OR 
     (segid "    " and resid "92  " and name "HD21")
  OR 
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
 )
      6.000     6.000     0.000 peak  8643 weight  0.10000E+01 volume  0.22800E+00 ppm1      8.635 ppm2      0.964
 ASSI (
     (segid "    " and resid "85  " and name "HN  ")
 )(
     (segid "    " and resid "86  " and name "HG23")
  OR 
     (segid "    " and resid "86  " and name "HG22")
  OR 
     (segid "    " and resid "86  " and name "HG21")
  OR 
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8644 weight  0.10000E+01 volume  0.71600E+00 ppm1      8.640 ppm2      1.340
 ASSI (
     (segid "    " and resid "85  " and name "HN  ")
 )(
     (segid "    " and resid "85  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  8645 weight  0.10000E+01 volume  0.32400E+00 ppm1      8.637 ppm2      1.612
 ASSI (
     (segid "    " and resid "87  " and name "HN  ")
 )(
     (segid "    " and resid "121 " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  8661 weight  0.10000E+01 volume  0.46300E+00 ppm1      7.098 ppm2      7.267
 ASSI (
     (segid "    " and resid "87  " and name "HN  ")
 )(
     (segid "    " and resid "124 " and name "HG23")
  OR 
     (segid "    " and resid "124 " and name "HG22")
  OR 
     (segid "    " and resid "124 " and name "HG21")
  OR 
     (segid "    " and resid "124 " and name "HG13")
  OR 
     (segid "    " and resid "124 " and name "HG12")
  OR 
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
 )
      5.000     5.000     0.000 peak  8662 weight  0.10000E+01 volume  0.46200E+00 ppm1      7.094 ppm2      0.934
 ASSI (
     (segid "    " and resid "88  " and name "HN  ")
 )(
     (segid "    " and resid "124 " and name "HG23")
  OR 
     (segid "    " and resid "124 " and name "HG22")
  OR 
     (segid "    " and resid "124 " and name "HG21")
  OR 
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
 )
      6.000     6.000     0.000 peak  8670 weight  0.10000E+01 volume  0.26300E+00 ppm1      7.576 ppm2      0.959
 ASSI (
     (segid "    " and resid "88  " and name "HN  ")
 )(
     (segid "    " and resid "92  " and name "HB2 ")
  OR 
     (segid "    " and resid "86  " and name "HG22")
  OR 
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8671 weight  0.10000E+01 volume  0.28400E+00 ppm1      7.578 ppm2      1.319
 ASSI (
     (segid "    " and resid "88  " and name "HN  ")
 )(
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "83  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8672 weight  0.10000E+01 volume  0.28100E+00 ppm1      7.583 ppm2      3.788
 ASSI (
     (segid "    " and resid "89  " and name "HN  ")
 )(
     (segid "    " and resid "124 " and name "HG22")
  OR 
     (segid "    " and resid "124 " and name "HG21")
  OR 
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
 )
      5.000     5.000     0.000 peak  8681 weight  0.10000E+01 volume  0.34000E+00 ppm1      7.688 ppm2      0.938
 ASSI (
     (segid "    " and resid "92  " and name "HN  ")
 )(
     (segid "    " and resid "93  " and name "HG2 ")
  OR 
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )
      6.000     6.000     0.000 peak  8703 weight  0.10000E+01 volume  0.21500E+00 ppm1      8.059 ppm2      0.605
 ASSI (
     (segid "    " and resid "92  " and name "HN  ")
 )(
     (segid "    " and resid "95  " and name "HD22")
  OR 
     (segid "    " and resid "92  " and name "HD23")
  OR 
     (segid "    " and resid "92  " and name "HD22")
  OR 
     (segid "    " and resid "92  " and name "HD21")
  OR 
     (segid "    " and resid "92  " and name "HD12")
 )
      5.000     5.000     0.000 peak  8704 weight  0.10000E+01 volume  0.76700E+00 ppm1      8.060 ppm2      0.970
 ASSI (
     (segid "    " and resid "92  " and name "HN  ")
 )(
     (segid "    " and resid "91  " and name "HA  ")
  OR 
     (segid "    " and resid "89  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8705 weight  0.10000E+01 volume  0.10550E+01 ppm1      8.051 ppm2      3.737
 ASSI (
     (segid "    " and resid "93  " and name "HN  ")
 )(
     (segid "    " and resid "93  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  8712 weight  0.10000E+01 volume  0.83700E+00 ppm1      8.579 ppm2      1.427
 ASSI (
     (segid "    " and resid "93  " and name "HN  ")
 )(
     (segid "    " and resid "92  " and name "HD23")
  OR 
     (segid "    " and resid "92  " and name "HD22")
  OR 
     (segid "    " and resid "92  " and name "HD21")
  OR 
     (segid "    " and resid "92  " and name "HD11")
 )
      5.000     5.000     0.000 peak  8713 weight  0.10000E+01 volume  0.57600E+00 ppm1      8.582 ppm2      0.968
 ASSI (
     (segid "    " and resid "94  " and name "HN  ")
 )(
     (segid "    " and resid "97  " and name "HG2 ")
  OR 
     (segid "    " and resid "92  " and name "HB1 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  8724 weight  0.10000E+01 volume  0.18300E+00 ppm1      7.377 ppm2      2.084
 ASSI (
     (segid "    " and resid "94  " and name "HN  ")
 )(
     (segid "    " and resid "95  " and name "HA  ")
  OR 
     (segid "    " and resid "92  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8725 weight  0.10000E+01 volume  0.17800E+00 ppm1      7.384 ppm2      3.895
 ASSI (
     (segid "    " and resid "94  " and name "HN  ")
 )(
     (segid "    " and resid "90  " and name "HA  ")
  OR 
     (segid "    " and resid "56  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8726 weight  0.10000E+01 volume  0.34000E-01 ppm1      7.376 ppm2      4.273
 ASSI (
     (segid "    " and resid "94  " and name "HN  ")
 )(
     (segid "    " and resid "92  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB3 ")
  OR 
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8727 weight  0.10000E+01 volume  0.22700E+00 ppm1      7.378 ppm2      1.315
 ASSI (
     (segid "    " and resid "94  " and name "HN  ")
 )(
     (segid "    " and resid "93  " and name "HA  ")
  OR 
     (segid "    " and resid "91  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8728 weight  0.10000E+01 volume  0.63600E+00 ppm1      7.382 ppm2      3.756
 ASSI (
     (segid "    " and resid "94  " and name "HN  ")
 )(
     (segid "    " and resid "93  " and name "HA  ")
  OR 
     (segid "    " and resid "91  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8729 weight  0.10000E+01 volume  0.68400E+00 ppm1      7.382 ppm2      3.711
 ASSI (
     (segid "    " and resid "94  " and name "HN  ")
 )(
     (segid "    " and resid "94  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  8735 weight  0.10000E+01 volume  0.22560E+01 ppm1      7.380 ppm2      2.259
 ASSI (
     (segid "    " and resid "95  " and name "HN  ")
 )(
     (segid "    " and resid "94  " and name "HB  ")
 )
      3.300     3.300     0.000 peak  8740 weight  0.10000E+01 volume  0.27550E+01 ppm1      8.083 ppm2      2.262
 ASSI (
     (segid "    " and resid "96  " and name "HN  ")
 )(
     (segid "    " and resid "95  " and name "HD23")
  OR 
     (segid "    " and resid "95  " and name "HD22")
  OR 
     (segid "    " and resid "95  " and name "HD21")
 )
      5.000     5.000     0.000 peak  8748 weight  0.10000E+01 volume  0.59600E+00 ppm1      8.465 ppm2      0.956
 ASSI (
     (segid "    " and resid "96  " and name "HN  ")
 )(
     (segid "    " and resid "95  " and name "HD23")
  OR 
     (segid "    " and resid "95  " and name "HD22")
  OR 
     (segid "    " and resid "95  " and name "HD21")
 )
      5.000     5.000     0.000 peak  8749 weight  0.10000E+01 volume  0.49800E+00 ppm1      8.460 ppm2      0.904
 ASSI (
     (segid "    " and resid "96  " and name "HN  ")
 )(
     (segid "    " and resid "95  " and name "HA  ")
  OR 
     (segid "    " and resid "92  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8750 weight  0.10000E+01 volume  0.32700E+00 ppm1      8.465 ppm2      3.896
 ASSI (
     (segid "    " and resid "96  " and name "HN  ")
 )(
     (segid "    " and resid "96  " and name "HA  ")
  OR 
     (segid "    " and resid "93  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8751 weight  0.10000E+01 volume  0.10310E+01 ppm1      8.465 ppm2      3.717
 ASSI (
     (segid "    " and resid "96  " and name "HN  ")
 )(
     (segid "    " and resid "97  " and name "HB1 ")
  OR 
     (segid "    " and resid "95  " and name "HB1 ")
  OR 
     (segid "    " and resid "94  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  8752 weight  0.10000E+01 volume  0.17950E+01 ppm1      8.465 ppm2      2.251
 ASSI (
     (segid "    " and resid "96  " and name "HN  ")
 )(
     (segid "    " and resid "100 " and name "HB2 ")
  OR 
     (segid "    " and resid "100 " and name "HB1 ")
  OR 
     (segid "    " and resid "96  " and name "HG23")
  OR 
     (segid "    " and resid "96  " and name "HG22")
  OR 
     (segid "    " and resid "96  " and name "HG21")
  OR 
     (segid "    " and resid "96  " and name "HG13")
  OR 
     (segid "    " and resid "95  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  8756 weight  0.10000E+01 volume  0.36450E+01 ppm1      8.462 ppm2      1.124
 ASSI (
     (segid "    " and resid "97  " and name "HN  ")
 )(
     (segid "    " and resid "96  " and name "HA  ")
  OR 
     (segid "    " and resid "93  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8760 weight  0.10000E+01 volume  0.46700E+00 ppm1      8.795 ppm2      3.731
 ASSI (
     (segid "    " and resid "97  " and name "HN  ")
 )(
     (segid "    " and resid "96  " and name "HG23")
  OR 
     (segid "    " and resid "96  " and name "HG13")
  OR 
     (segid "    " and resid "96  " and name "HG12")
  OR 
     (segid "    " and resid "96  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8762 weight  0.10000E+01 volume  0.11920E+01 ppm1      8.806 ppm2      1.123
 ASSI (
     (segid "    " and resid "98  " and name "HN  ")
 )(
     (segid "    " and resid "100 " and name "HB3 ")
  OR 
     (segid "    " and resid "100 " and name "HB2 ")
  OR 
     (segid "    " and resid "100 " and name "HB1 ")
  OR 
     (segid "    " and resid "96  " and name "HG23")
  OR 
     (segid "    " and resid "96  " and name "HG13")
  OR 
     (segid "    " and resid "96  " and name "HG12")
  OR 
     (segid "    " and resid "96  " and name "HG11")
  OR 
     (segid "    " and resid "95  " and name "HB2 ")
  OR 
     (segid "    " and resid "93  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8769 weight  0.10000E+01 volume  0.44300E+00 ppm1      7.456 ppm2      1.123
 ASSI (
     (segid "    " and resid "98  " and name "HN  ")
 )(
     (segid "    " and resid "102 " and name "HG23")
  OR 
     (segid "    " and resid "102 " and name "HG22")
  OR 
     (segid "    " and resid "102 " and name "HG21")
  OR 
     (segid "    " and resid "102 " and name "HG13")
  OR 
     (segid "    " and resid "102 " and name "HG12")
  OR 
     (segid "    " and resid "102 " and name "HG11")
  OR 
     (segid "    " and resid "80  " and name "HG21")
  OR 
     (segid "    " and resid "80  " and name "HG12")
  OR 
     (segid "    " and resid "63  " and name "HD23")
  OR 
     (segid "    " and resid "63  " and name "HD22")
  OR 
     (segid "    " and resid "63  " and name "HD21")
  OR 
     (segid "    " and resid "63  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8770 weight  0.10000E+01 volume  0.20300E+00 ppm1      7.464 ppm2      0.856
 ASSI (
     (segid "    " and resid "98  " and name "HN  ")
 )(
     (segid "    " and resid "95  " and name "HD23")
  OR 
     (segid "    " and resid "95  " and name "HD22")
  OR 
     (segid "    " and resid "95  " and name "HD21")
  OR 
     (segid "    " and resid "94  " and name "HG23")
  OR 
     (segid "    " and resid "94  " and name "HG22")
  OR 
     (segid "    " and resid "94  " and name "HG21")
  OR 
     (segid "    " and resid "92  " and name "HD22")
  OR 
     (segid "    " and resid "92  " and name "HD21")
  OR 
     (segid "    " and resid "92  " and name "HD11")
  OR 
     (segid "    " and resid "60  " and name "HD23")
  OR 
     (segid "    " and resid "60  " and name "HD13")
  OR 
     (segid "    " and resid "60  " and name "HD12")
 )
      6.000     6.000     0.000 peak  8771 weight  0.10000E+01 volume  0.17100E+00 ppm1      7.465 ppm2      0.965
 ASSI (
     (segid "    " and resid "98  " and name "HN  ")
 )(
     (segid "    " and resid "99  " and name "HA2 ")
  OR 
     (segid "    " and resid "95  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8772 weight  0.10000E+01 volume  0.61000E+00 ppm1      7.465 ppm2      3.884
 ASSI (
     (segid "    " and resid "99  " and name "HN  ")
 )(
     (segid "    " and resid "100 " and name "HB3 ")
  OR 
     (segid "    " and resid "100 " and name "HB2 ")
  OR 
     (segid "    " and resid "100 " and name "HB1 ")
  OR 
     (segid "    " and resid "96  " and name "HG22")
  OR 
     (segid "    " and resid "96  " and name "HG12")
  OR 
     (segid "    " and resid "96  " and name "HG11")
  OR 
     (segid "    " and resid "95  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8783 weight  0.10000E+01 volume -0.52400E+00 ppm1      7.634 ppm2      1.122
 ASSI (
     (segid "    " and resid "99  " and name "HN  ")
 )(
     (segid "    " and resid "97  " and name "HA  ")
  OR 
     (segid "    " and resid "69  " and name "HD2 ")
  OR 
     (segid "    " and resid "69  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  8784 weight  0.10000E+01 volume -0.41300E+00 ppm1      7.631 ppm2      4.112
 ASSI (
     (segid "    " and resid "100 " and name "HN  ")
 )(
     (segid "    " and resid "98  " and name "HB1 ")
  OR 
     (segid "    " and resid "96  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8790 weight  0.10000E+01 volume  0.19200E+01 ppm1      8.263 ppm2      3.761
 ASSI (
     (segid "    " and resid "101 " and name "HN  ")
 )(
     (segid "    " and resid "70  " and name "HD22")
 )
      5.000     5.000     0.000 peak  8797 weight  0.10000E+01 volume  0.31100E+00 ppm1      8.959 ppm2      6.882
 ASSI (
     (segid "    " and resid "101 " and name "HN  ")
 )(
     (segid "    " and resid "70  " and name "HD21")
 )
      6.000     6.000     0.000 peak  8798 weight  0.10000E+01 volume  0.54000E-01 ppm1      8.962 ppm2      7.873
 ASSI (
     (segid "    " and resid "102 " and name "HN  ")
 )(
     (segid "    " and resid "100 " and name "HB3 ")
  OR 
     (segid "    " and resid "100 " and name "HB2 ")
  OR 
     (segid "    " and resid "100 " and name "HB1 ")
  OR 
     (segid "    " and resid "96  " and name "HG22")
  OR 
     (segid "    " and resid "96  " and name "HG21")
  OR 
     (segid "    " and resid "96  " and name "HG12")
  OR 
     (segid "    " and resid "96  " and name "HG11")
 )
      6.000     6.000     0.000 peak  8805 weight  0.10000E+01 volume  0.20000E+00 ppm1      8.508 ppm2      1.123
 ASSI (
     (segid "    " and resid "102 " and name "HN  ")
 )(
     (segid "    " and resid "102 " and name "HG23")
  OR 
     (segid "    " and resid "102 " and name "HG22")
  OR 
     (segid "    " and resid "102 " and name "HG21")
 )
      3.300     3.300     0.000 peak  8810 weight  0.10000E+01 volume  0.30620E+01 ppm1      8.503 ppm2      0.864
 ASSI (
     (segid "    " and resid "103 " and name "HN  ")
 )(
     (segid "    " and resid "112 " and name "HG2 ")
  OR 
     (segid "    " and resid "102 " and name "HG23")
  OR 
     (segid "    " and resid "102 " and name "HG22")
  OR 
     (segid "    " and resid "102 " and name "HG21")
 )
      5.000     5.000     0.000 peak  8813 weight  0.10000E+01 volume  0.10040E+01 ppm1      8.546 ppm2      0.860
 ASSI (
     (segid "    " and resid "103 " and name "HN  ")
 )(
     (segid "    " and resid "111 " and name "HD23")
  OR 
     (segid "    " and resid "111 " and name "HD22")
  OR 
     (segid "    " and resid "111 " and name "HD21")
 )
      5.000     5.000     0.000 peak  8814 weight  0.10000E+01 volume  0.58800E+00 ppm1      8.547 ppm2      0.967
 ASSI (
     (segid "    " and resid "103 " and name "HN  ")
 )(
     (segid "    " and resid "101 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8815 weight  0.10000E+01 volume  0.31000E+00 ppm1      8.545 ppm2      4.646
 ASSI (
     (segid "    " and resid "103 " and name "HD21")
 )(
     (segid "    " and resid "102 " and name "HG23")
  OR 
     (segid "    " and resid "102 " and name "HG21")
 )
      6.000     6.000     0.000 peak  8823 weight  0.10000E+01 volume  0.20300E+00 ppm1      7.549 ppm2      0.860
 ASSI (
     (segid "    " and resid "103 " and name "HD21")
 )(
     (segid "    " and resid "103 " and name "HD22")
 )
      2.700     2.700     0.000 peak  8824 weight  0.10000E+01 volume  0.48240E+01 ppm1      7.544 ppm2      6.756
 ASSI (
     (segid "    " and resid "103 " and name "HD21")
 )(
     (segid "    " and resid "133 " and name "HB2 ")
  OR 
     (segid "    " and resid "103 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8825 weight  0.10000E+01 volume  0.80900E+00 ppm1      7.549 ppm2      2.580
 ASSI (
     (segid "    " and resid "103 " and name "HD21")
 )(
     (segid "    " and resid "103 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8826 weight  0.10000E+01 volume  0.45800E+00 ppm1      7.550 ppm2      2.940
 ASSI (
     (segid "    " and resid "103 " and name "HD22")
 )(
     (segid "    " and resid "103 " and name "HD21")
 )
      3.300     3.300     0.000 peak  8827 weight  0.10000E+01 volume  0.37250E+01 ppm1      6.756 ppm2      7.545
 ASSI (
     (segid "    " and resid "103 " and name "HD22")
 )(
     (segid "    " and resid "102 " and name "HG23")
  OR 
     (segid "    " and resid "102 " and name "HG22")
  OR 
     (segid "    " and resid "102 " and name "HG21")
 )
      6.000     6.000     0.000 peak  8828 weight  0.10000E+01 volume  0.27300E+00 ppm1      6.758 ppm2      0.854
 ASSI (
     (segid "    " and resid "103 " and name "HD22")
 )(
     (segid "    " and resid "132 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8829 weight  0.10000E+01 volume  0.35800E+00 ppm1      6.757 ppm2      5.071
 ASSI (
     (segid "    " and resid "104 " and name "HN  ")
 )(
     (segid "    " and resid "111 " and name "HD23")
  OR 
     (segid "    " and resid "111 " and name "HD22")
  OR 
     (segid "    " and resid "111 " and name "HD21")
 )
      6.000     6.000     0.000 peak  8832 weight  0.10000E+01 volume  0.23600E+00 ppm1      6.326 ppm2      0.964
 ASSI (
     (segid "    " and resid "104 " and name "HN  ")
 )(
     (segid "    " and resid "112 " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  8833 weight  0.10000E+01 volume  0.21600E+00 ppm1      6.349 ppm2      1.810
 ASSI (
     (segid "    " and resid "104 " and name "HN  ")
 )(
     (segid "    " and resid "102 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8834 weight  0.10000E+01 volume  0.21000E+00 ppm1      6.328 ppm2      3.894
 ASSI (
     (segid "    " and resid "104 " and name "HN  ")
 )(
     (segid "    " and resid "112 " and name "HG2 ")
  OR 
     (segid "    " and resid "80  " and name "HG11")
 )
      5.000     5.000     0.000 peak  8835 weight  0.10000E+01 volume  0.33300E+00 ppm1      6.326 ppm2      0.855
 ASSI (
     (segid "    " and resid "105 " and name "HN  ")
 )(
     (segid "    " and resid "105 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8841 weight  0.10000E+01 volume  0.14100E+01 ppm1      8.238 ppm2      1.253
 ASSI (
     (segid "    " and resid "106 " and name "HN  ")
 )(
     (segid "    " and resid "107 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8850 weight  0.10000E+01 volume  0.23500E+00 ppm1      7.647 ppm2      8.163
 ASSI (
     (segid "    " and resid "107 " and name "HN  ")
 )(
     (segid "    " and resid "109 " and name "HA2 ")
  OR 
     (segid "    " and resid "77  " and name "HA  ")
  OR 
     (segid "    " and resid "76  " and name "HA2 ")
 )
      5.000     5.000     0.000 peak  8860 weight  0.10000E+01 volume  0.30900E+00 ppm1      8.187 ppm2      3.787
 ASSI (
     (segid "    " and resid "108 " and name "HN  ")
 )(
     (segid "    " and resid "107 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8869 weight  0.10000E+01 volume  0.43700E+00 ppm1      8.475 ppm2      4.295
 ASSI (
     (segid "    " and resid "108 " and name "HN  ")
 )(
     (segid "    " and resid "109 " and name "HA2 ")
 )
      6.000     6.000     0.000 peak  8870 weight  0.10000E+01 volume  0.19700E+00 ppm1      8.474 ppm2      3.837
 ASSI (
     (segid "    " and resid "108 " and name "HN  ")
 )(
     (segid "    " and resid "107 " and name "HB2 ")
  OR 
     (segid "    " and resid "107 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8872 weight  0.10000E+01 volume  0.19400E+00 ppm1      8.474 ppm2      4.068
 ASSI (
     (segid "    " and resid "109 " and name "HN  ")
 )(
     (segid "    " and resid "106 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8878 weight  0.10000E+01 volume  0.13500E+00 ppm1      8.511 ppm2      7.623
 ASSI (
     (segid "    " and resid "109 " and name "HN  ")
 )(
     (segid "    " and resid "139 " and name "HN  ")
  OR 
     (segid "    " and resid "105 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8879 weight  0.10000E+01 volume  0.16800E+00 ppm1      8.511 ppm2      8.280
 ASSI (
     (segid "    " and resid "109 " and name "HN  ")
 )(
     (segid "    " and resid "105 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8880 weight  0.10000E+01 volume  0.12900E+00 ppm1      8.509 ppm2      1.268
 ASSI (
     (segid "    " and resid "109 " and name "HN  ")
 )(
     (segid "    " and resid "139 " and name "HB3 ")
  OR 
     (segid "    " and resid "139 " and name "HB2 ")
  OR 
     (segid "    " and resid "139 " and name "HB1 ")
  OR 
     (segid "    " and resid "106 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  8881 weight  0.10000E+01 volume  0.96000E-01 ppm1      8.500 ppm2      1.407
 ASSI (
     (segid "    " and resid "109 " and name "HN  ")
 )(
     (segid "    " and resid "110 " and name "HB1 ")
  OR 
     (segid "    " and resid "110 " and name "HA  ")
  OR 
     (segid "    " and resid "107 " and name "HB2 ")
  OR 
     (segid "    " and resid "107 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8882 weight  0.10000E+01 volume  0.24800E+00 ppm1      8.510 ppm2      4.066
 ASSI (
     (segid "    " and resid "110 " and name "HN  ")
 )(
     (segid "    " and resid "109 " and name "HA2 ")
 )
      5.000     5.000     0.000 peak  8890 weight  0.10000E+01 volume  0.76800E+00 ppm1      8.000 ppm2      3.790
 ASSI (
     (segid "    " and resid "110 " and name "HN  ")
 )(
     (segid "    " and resid "110 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8891 weight  0.10000E+01 volume  0.72300E+00 ppm1      7.992 ppm2      3.695
 ASSI (
     (segid "    " and resid "110 " and name "HN  ")
 )(
     (segid "    " and resid "110 " and name "HB1 ")
  OR 
     (segid "    " and resid "110 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8893 weight  0.10000E+01 volume  0.15120E+01 ppm1      8.003 ppm2      4.064
 ASSI (
     (segid "    " and resid "110 " and name "HN  ")
 )(
     (segid "    " and resid "109 " and name "HN  ")
  OR 
     (segid "    " and resid "108 " and name "HN  ")
 )
      5.000     5.000     0.000 peak  8894 weight  0.10000E+01 volume  0.16450E+01 ppm1      8.003 ppm2      8.499
 ASSI (
     (segid "    " and resid "111 " and name "HN  ")
 )(
     (segid "    " and resid "110 " and name "HB1 ")
  OR 
     (segid "    " and resid "110 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8898 weight  0.10000E+01 volume  0.14740E+01 ppm1      9.449 ppm2      4.069
 ASSI (
     (segid "    " and resid "113 " and name "HN  ")
 )(
     (segid "    " and resid "111 " and name "HD23")
  OR 
     (segid "    " and resid "111 " and name "HD21")
 )
      6.000     6.000     0.000 peak  8908 weight  0.10000E+01 volume  0.25500E+00 ppm1      8.280 ppm2      0.973
 ASSI (
     (segid "    " and resid "113 " and name "HN  ")
 )(
     (segid "    " and resid "128 " and name "HB2 ")
  OR 
     (segid "    " and resid "111 " and name "HD13")
  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
 )
      5.000     5.000     0.000 peak  8909 weight  0.10000E+01 volume  0.30600E+00 ppm1      8.277 ppm2      1.199
 ASSI (
     (segid "    " and resid "113 " and name "HN  ")
 )(
     (segid "    " and resid "128 " and name "HD23")
  OR 
     (segid "    " and resid "128 " and name "HD22")
  OR 
     (segid "    " and resid "128 " and name "HD21")
  OR 
     (segid "    " and resid "112 " and name "HG2 ")
  OR 
     (segid "    " and resid "102 " and name "HG12")
  OR 
     (segid "    " and resid "102 " and name "HG11")
 )
      5.000     5.000     0.000 peak  8910 weight  0.10000E+01 volume  0.42400E+00 ppm1      8.274 ppm2      0.859
 ASSI (
     (segid "    " and resid "113 " and name "HN  ")
 )(
     (segid "    " and resid "111 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  8911 weight  0.10000E+01 volume  0.18800E+00 ppm1      8.276 ppm2      2.426
 ASSI (
     (segid "    " and resid "113 " and name "HN  ")
 )(
     (segid "    " and resid "112 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  8912 weight  0.10000E+01 volume  0.18500E+00 ppm1      8.276 ppm2      3.959
 ASSI (
     (segid "    " and resid "113 " and name "HN  ")
 )(
     (segid "    " and resid "112 " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  8913 weight  0.10000E+01 volume  0.18700E+00 ppm1      8.276 ppm2      4.269
 ASSI (
     (segid "    " and resid "114 " and name "HE2 ")
 )(
     (segid "    " and resid "144 " and name "HD1 ")
  OR 
     (segid "    " and resid "137 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8921 weight  0.10000E+01 volume  0.20000E+00 ppm1     11.345 ppm2      4.260
 ASSI (
     (segid "    " and resid "114 " and name "HE2 ")
 )(
     (segid "    " and resid "143 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  8923 weight  0.10000E+01 volume  0.16800E+00 ppm1     11.347 ppm2      5.354
 ASSI (
     (segid "    " and resid "114 " and name "HE2 ")
 )(
     (segid "    " and resid "114 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  8924 weight  0.10000E+01 volume  0.29600E+00 ppm1     11.343 ppm2      6.965
 ASSI (
     (segid "    " and resid "114 " and name "HE2 ")
 )(
     (segid "    " and resid "114 " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  8925 weight  0.10000E+01 volume  0.14500E+00 ppm1     11.345 ppm2      7.819
 ASSI (
     (segid "    " and resid "114 " and name "HN  ")
 )(
     (segid "    " and resid "115 " and name "HA  ")
  OR 
     (segid "    " and resid "110 " and name "HB1 ")
  OR 
     (segid "    " and resid "110 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8926 weight  0.10000E+01 volume  0.55000E+00 ppm1      7.672 ppm2      4.061
 ASSI (
     (segid "    " and resid "114 " and name "HN  ")
 )(
     (segid "    " and resid "111 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8927 weight  0.10000E+01 volume  0.84900E+00 ppm1      7.672 ppm2      2.005
 ASSI (
     (segid "    " and resid "114 " and name "HN  ")
 )(
     (segid "    " and resid "115 " and name "HD23")
  OR 
     (segid "    " and resid "115 " and name "HD22")
  OR 
     (segid "    " and resid "115 " and name "HD21")
  OR 
     (segid "    " and resid "111 " and name "HD23")
 )
      5.000     5.000     0.000 peak  8928 weight  0.10000E+01 volume  0.44300E+00 ppm1      7.659 ppm2      0.957
 ASSI (
     (segid "    " and resid "114 " and name "HN  ")
 )(
     (segid "    " and resid "111 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8929 weight  0.10000E+01 volume  0.43200E+00 ppm1      7.666 ppm2      2.434
 ASSI (
     (segid "    " and resid "114 " and name "HN  ")
 )(
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
  OR 
     (segid "    " and resid "111 " and name "HD13")
  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
 )
      5.000     5.000     0.000 peak  8930 weight  0.10000E+01 volume  0.89600E+00 ppm1      7.665 ppm2      1.204
 ASSI (
     (segid "    " and resid "115 " and name "HN  ")
 )(
     (segid "    " and resid "114 " and name "HB1 ")
  OR 
     (segid "    " and resid "110 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8939 weight  0.10000E+01 volume  0.51900E+00 ppm1      7.305 ppm2      3.714
 ASSI (
     (segid "    " and resid "116 " and name "HN  ")
 )(
     (segid "    " and resid "125 " and name "HG13")
  OR 
     (segid "    " and resid "125 " and name "HG12")
  OR 
     (segid "    " and resid "125 " and name "HG11")
  OR 
     (segid "    " and resid "124 " and name "HG22")
  OR 
     (segid "    " and resid "124 " and name "HG13")
  OR 
     (segid "    " and resid "124 " and name "HG12")
  OR 
     (segid "    " and resid "124 " and name "HG11")
  OR 
     (segid "    " and resid "115 " and name "HD23")
  OR 
     (segid "    " and resid "115 " and name "HD22")
  OR 
     (segid "    " and resid "115 " and name "HD21")
 )
      5.000     5.000     0.000 peak  8951 weight  0.10000E+01 volume  0.10670E+01 ppm1      7.890 ppm2      0.969
 ASSI (
     (segid "    " and resid "116 " and name "HN  ")
 )(
     (segid "    " and resid "128 " and name "HD13")
  OR 
     (segid "    " and resid "128 " and name "HD12")
  OR 
     (segid "    " and resid "128 " and name "HD11")
  OR 
     (segid "    " and resid "117 " and name "HG12")
  OR 
     (segid "    " and resid "113 " and name "HD13")
  OR 
     (segid "    " and resid "113 " and name "HD12")
  OR 
     (segid "    " and resid "113 " and name "HD11")
  OR 
     (segid "    " and resid "113 " and name "HG22")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )
      5.000     5.000     0.000 peak  8952 weight  0.10000E+01 volume  0.66400E+00 ppm1      7.893 ppm2      0.725
 ASSI (
     (segid "    " and resid "117 " and name "HN  ")
 )(
     (segid "    " and resid "118 " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  8955 weight  0.10000E+01 volume  0.38600E+00 ppm1      7.945 ppm2      1.601
 ASSI (
     (segid "    " and resid "117 " and name "HN  ")
 )(
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
  OR 
     (segid "    " and resid "128 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  8956 weight  0.10000E+01 volume  0.32100E+00 ppm1      7.941 ppm2      1.177
 ASSI (
     (segid "    " and resid "117 " and name "HN  ")
 )(
     (segid "    " and resid "118 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  8957 weight  0.10000E+01 volume  0.41700E+00 ppm1      7.946 ppm2      1.893
 ASSI (
     (segid "    " and resid "117 " and name "HN  ")
 )(
     (segid "    " and resid "147 " and name "HB1 ")
  OR 
     (segid "    " and resid "125 " and name "HB  ")
  OR 
     (segid "    " and resid "115 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  8958 weight  0.10000E+01 volume  0.65500E+00 ppm1      7.943 ppm2      2.179
 ASSI (
     (segid "    " and resid "117 " and name "HN  ")
 )(
     (segid "    " and resid "119 " and name "HN  ")
  OR 
     (segid "    " and resid "115 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  8959 weight  0.10000E+01 volume  0.15300E+00 ppm1      7.940 ppm2      7.295
 ASSI (
     (segid "    " and resid "117 " and name "HN  ")
 )(
     (segid "    " and resid "125 " and name "HG13")
  OR 
     (segid "    " and resid "125 " and name "HG12")
  OR 
     (segid "    " and resid "125 " and name "HG11")
 )
      5.000     5.000     0.000 peak  8960 weight  0.10000E+01 volume  0.99100E+00 ppm1      7.946 ppm2      0.992
 ASSI (
     (segid "    " and resid "118 " and name "HN  ")
 )(
     (segid "    " and resid "118 " and name "HB2 ")
  OR 
     (segid "    " and resid "118 " and name "HB1 ")
  OR 
     (segid "    " and resid "117 " and name "HB  ")
 )
      2.700     2.700     0.000 peak  8967 weight  0.10000E+01 volume  0.64500E+01 ppm1      8.118 ppm2      2.058
 ASSI (
     (segid "    " and resid "119 " and name "HN  ")
 )(
     (segid "    " and resid "120 " and name "HA2 ")
  OR 
     (segid "    " and resid "117 " and name "HA  ")
  OR 
     (segid "    " and resid "85  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  8974 weight  0.10000E+01 volume  0.20000E+00 ppm1      7.326 ppm2      3.508
 ASSI (
     (segid "    " and resid "120 " and name "HN  ")
 )(
     (segid "    " and resid "156 " and name "HD13")
  OR 
     (segid "    " and resid "156 " and name "HD12")
  OR 
     (segid "    " and resid "156 " and name "HD11")
  OR 
     (segid "    " and resid "125 " and name "HG13")
  OR 
     (segid "    " and resid "125 " and name "HG12")
  OR 
     (segid "    " and resid "125 " and name "HG11")
 )
      5.000     5.000     0.000 peak  8986 weight  0.10000E+01 volume -0.50900E+00 ppm1      7.483 ppm2      0.989
 ASSI (
     (segid "    " and resid "120 " and name "HN  ")
 )(
     (segid "    " and resid "118 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8987 weight  0.10000E+01 volume -0.33900E+00 ppm1      7.481 ppm2      3.675
 ASSI (
     (segid "    " and resid "120 " and name "HN  ")
 )(
     (segid "    " and resid "116 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8988 weight  0.10000E+01 volume -0.59900E+00 ppm1      7.475 ppm2      4.125
 ASSI (
     (segid "    " and resid "120 " and name "HN  ")
 )(
     (segid "    " and resid "160 " and name "HD23")
  OR 
     (segid "    " and resid "117 " and name "HG23")
  OR 
     (segid "    " and resid "117 " and name "HG22")
  OR 
     (segid "    " and resid "117 " and name "HG21")
  OR 
     (segid "    " and resid "117 " and name "HG12")
  OR 
     (segid "    " and resid "113 " and name "HD13")
  OR 
     (segid "    " and resid "113 " and name "HD12")
  OR 
     (segid "    " and resid "113 " and name "HD11")
 )
      6.000     6.000     0.000 peak  8989 weight  0.10000E+01 volume -0.18800E+00 ppm1      7.474 ppm2      0.776
 ASSI (
     (segid "    " and resid "120 " and name "HN  ")
 )(
     (segid "    " and resid "120 " and name "HA2 ")
  OR 
     (segid "    " and resid "117 " and name "HA  ")
 )
      3.300     3.300     0.000 peak  8990 weight  0.10000E+01 volume -0.23730E+01 ppm1      7.477 ppm2      3.517
 ASSI (
     (segid "    " and resid "121 " and name "HN  ")
 )(
     (segid "    " and resid "125 " and name "HG13")
  OR 
     (segid "    " and resid "125 " and name "HG12")
  OR 
     (segid "    " and resid "125 " and name "HG11")
  OR 
     (segid "    " and resid "124 " and name "HG12")
  OR 
     (segid "    " and resid "124 " and name "HG11")
 )
      5.000     5.000     0.000 peak  8998 weight  0.10000E+01 volume  0.65400E+00 ppm1      7.833 ppm2      0.986
 ASSI (
     (segid "    " and resid "121 " and name "HN  ")
 )(
     (segid "    " and resid "116 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  8999 weight  0.10000E+01 volume  0.59900E+00 ppm1      7.832 ppm2      4.138
 ASSI (
     (segid "    " and resid "121 " and name "HN  ")
 )(
     (segid "    " and resid "116 " and name "HB3 ")
  OR 
     (segid "    " and resid "116 " and name "HB2 ")
  OR 
     (segid "    " and resid "116 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9000 weight  0.10000E+01 volume  0.95300E+00 ppm1      7.826 ppm2      1.497
 ASSI (
     (segid "    " and resid "121 " and name "HN  ")
 )(
     (segid "    " and resid "125 " and name "HG23")
  OR 
     (segid "    " and resid "125 " and name "HG22")
  OR 
     (segid "    " and resid "125 " and name "HG21")
 )
      6.000     6.000     0.000 peak  9001 weight  0.10000E+01 volume  0.22800E+00 ppm1      7.834 ppm2      0.882
 ASSI (
     (segid "    " and resid "124 " and name "HN  ")
 )(
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )
      6.000     6.000     0.000 peak  9009 weight  0.10000E+01 volume  0.45000E-01 ppm1      7.136 ppm2      0.591
 ASSI (
     (segid "    " and resid "124 " and name "HN  ")
 )(
     (segid "    " and resid "116 " and name "HB3 ")
  OR 
     (segid "    " and resid "116 " and name "HB2 ")
  OR 
     (segid "    " and resid "116 " and name "HB1 ")
  OR 
     (segid "    " and resid "84  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9010 weight  0.10000E+01 volume  0.11800E+00 ppm1      7.133 ppm2      1.467
 ASSI (
     (segid "    " and resid "124 " and name "HN  ")
 )(
     (segid "    " and resid "125 " and name "HB  ")
 )
      6.000     6.000     0.000 peak  9011 weight  0.10000E+01 volume  0.21600E+00 ppm1      7.136 ppm2      2.240
 ASSI (
     (segid "    " and resid "124 " and name "HN  ")
 )(
     (segid "    " and resid "121 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9012 weight  0.10000E+01 volume  0.15000E+00 ppm1      7.135 ppm2      2.975
 ASSI (
     (segid "    " and resid "124 " and name "HN  ")
 )(
     (segid "    " and resid "121 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9013 weight  0.10000E+01 volume  0.24300E+00 ppm1      7.135 ppm2      3.139
 ASSI (
     (segid "    " and resid "124 " and name "HN  ")
 )(
     (segid "    " and resid "126 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  9014 weight  0.10000E+01 volume  0.21200E+00 ppm1      7.136 ppm2      8.489
 ASSI (
     (segid "    " and resid "125 " and name "HN  ")
 )(
     (segid "    " and resid "125 " and name "HG13")
  OR 
     (segid "    " and resid "125 " and name "HG12")
  OR 
     (segid "    " and resid "125 " and name "HG11")
  OR 
     (segid "    " and resid "124 " and name "HG13")
  OR 
     (segid "    " and resid "124 " and name "HG12")
  OR 
     (segid "    " and resid "124 " and name "HG11")
 )
      2.700     2.700     0.000 peak  9023 weight  0.10000E+01 volume  0.42980E+01 ppm1      8.130 ppm2      0.979
 ASSI (
     (segid "    " and resid "126 " and name "HN  ")
 )(
     (segid "    " and resid "159 " and name "HG12")
  OR 
     (segid "    " and resid "156 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9026 weight  0.10000E+01 volume  0.34900E+00 ppm1      8.505 ppm2      1.119
 ASSI (
     (segid "    " and resid "126 " and name "HN  ")
 )(
     (segid "    " and resid "159 " and name "HA  ")
  OR 
     (segid "    " and resid "124 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9027 weight  0.10000E+01 volume  0.59200E+00 ppm1      8.502 ppm2      3.762
 ASSI (
     (segid "    " and resid "126 " and name "HN  ")
 )(
     (segid "    " and resid "160 " and name "HD23")
  OR 
     (segid "    " and resid "160 " and name "HD22")
  OR 
     (segid "    " and resid "160 " and name "HD21")
  OR 
     (segid "    " and resid "156 " and name "HD23")
  OR 
     (segid "    " and resid "156 " and name "HD22")
  OR 
     (segid "    " and resid "156 " and name "HD21")
  OR 
     (segid "    " and resid "113 " and name "HD11")
 )
      5.000     5.000     0.000 peak  9028 weight  0.10000E+01 volume  0.10830E+01 ppm1      8.494 ppm2      0.752
 ASSI (
     (segid "    " and resid "126 " and name "HN  ")
 )(
     (segid "    " and resid "159 " and name "HD13")
  OR 
     (segid "    " and resid "159 " and name "HD11")
  OR 
     (segid "    " and resid "159 " and name "HG23")
  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "159 " and name "HG21")
  OR 
     (segid "    " and resid "125 " and name "HG23")
  OR 
     (segid "    " and resid "125 " and name "HG21")
 )
      3.300     3.300     0.000 peak  9029 weight  0.10000E+01 volume  0.33630E+01 ppm1      8.498 ppm2      0.881
 ASSI (
     (segid "    " and resid "126 " and name "HN  ")
 )(
     (segid "    " and resid "125 " and name "HG12")
  OR 
     (segid "    " and resid "125 " and name "HG11")
 )
      5.000     5.000     0.000 peak  9030 weight  0.10000E+01 volume  0.17170E+01 ppm1      8.494 ppm2      0.973
 ASSI (
     (segid "    " and resid "126 " and name "HN  ")
 )(
     (segid "    " and resid "129 " and name "HN  ")
  OR 
     (segid "    " and resid "128 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  9031 weight  0.10000E+01 volume  0.26200E+00 ppm1      8.497 ppm2      8.273
 ASSI (
     (segid "    " and resid "126 " and name "HN  ")
 )(
     (segid "    " and resid "127 " and name "HA  ")
  OR 
     (segid "    " and resid "123 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9032 weight  0.10000E+01 volume  0.74900E+00 ppm1      8.496 ppm2      4.333
 ASSI (
     (segid "    " and resid "127 " and name "HN  ")
 )(
     (segid "    " and resid "159 " and name "HG23")
  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "159 " and name "HG21")
  OR 
     (segid "    " and resid "128 " and name "HD23")
  OR 
     (segid "    " and resid "128 " and name "HD22")
  OR 
     (segid "    " and resid "128 " and name "HD21")
  OR 
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
 )
      5.000     5.000     0.000 peak  9037 weight  0.10000E+01 volume  0.88700E+00 ppm1      7.430 ppm2      0.858
 ASSI (
     (segid "    " and resid "127 " and name "HN  ")
 )(
     (segid "    " and resid "125 " and name "HG13")
  OR 
     (segid "    " and resid "125 " and name "HG12")
  OR 
     (segid "    " and resid "125 " and name "HG11")
  OR 
     (segid "    " and resid "124 " and name "HG23")
  OR 
     (segid "    " and resid "124 " and name "HG22")
  OR 
     (segid "    " and resid "124 " and name "HG21")
  OR 
     (segid "    " and resid "124 " and name "HG13")
  OR 
     (segid "    " and resid "124 " and name "HG12")
  OR 
     (segid "    " and resid "124 " and name "HG11")
 )
      5.000     5.000     0.000 peak  9038 weight  0.10000E+01 volume  0.83700E+00 ppm1      7.426 ppm2      0.950
 ASSI (
     (segid "    " and resid "127 " and name "HN  ")
 )(
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )
      5.000     5.000     0.000 peak  9039 weight  0.10000E+01 volume  0.43200E+00 ppm1      7.433 ppm2      0.595
 ASSI (
     (segid "    " and resid "128 " and name "HN  ")
 )(
     (segid "    " and resid "125 " and name "HG13")
  OR 
     (segid "    " and resid "125 " and name "HG12")
  OR 
     (segid "    " and resid "125 " and name "HG11")
  OR 
     (segid "    " and resid "124 " and name "HG22")
  OR 
     (segid "    " and resid "124 " and name "HG13")
  OR 
     (segid "    " and resid "124 " and name "HG12")
  OR 
     (segid "    " and resid "124 " and name "HG11")
  OR 
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
 )
      5.000     5.000     0.000 peak  9048 weight  0.10000E+01 volume  0.11430E+01 ppm1      8.230 ppm2      0.954
 ASSI (
     (segid "    " and resid "128 " and name "HN  ")
 )(
     (segid "    " and resid "160 " and name "HD11")
  OR 
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )
      6.000     6.000     0.000 peak  9049 weight  0.10000E+01 volume  0.16500E+00 ppm1      8.231 ppm2      0.615
 ASSI (
     (segid "    " and resid "128 " and name "HN  ")
 )(
     (segid "    " and resid "131 " and name "HB2 ")
  OR 
     (segid "    " and resid "116 " and name "HB3 ")
  OR 
     (segid "    " and resid "116 " and name "HB2 ")
  OR 
     (segid "    " and resid "116 " and name "HB1 ")
  OR 
     (segid "    " and resid "113 " and name "HG11")
  OR 
     (segid "    " and resid "84  " and name "HB2 ")
  OR 
     (segid "    " and resid "84  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9050 weight  0.10000E+01 volume  0.10800E+00 ppm1      8.234 ppm2      1.457
 ASSI (
     (segid "    " and resid "128 " and name "HN  ")
 )(
     (segid "    " and resid "129 " and name "HA  ")
  OR 
     (segid "    " and resid "124 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9051 weight  0.10000E+01 volume  0.24800E+00 ppm1      8.230 ppm2      3.744
 ASSI (
     (segid "    " and resid "128 " and name "HN  ")
 )(
     (segid "    " and resid "126 " and name "HA  ")
  OR 
     (segid "    " and resid "84  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9052 weight  0.10000E+01 volume  0.12300E+00 ppm1      8.234 ppm2      4.004
 ASSI (
     (segid "    " and resid "128 " and name "HN  ")
 )(
     (segid "    " and resid "125 " and name "HN  ")
 )
      5.000     5.000     0.000 peak  9053 weight  0.10000E+01 volume  0.12540E+01 ppm1      8.231 ppm2      8.126
 ASSI (
     (segid "    " and resid "128 " and name "HN  ")
 )(
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
  OR 
     (segid "    " and resid "96  " and name "HG13")
  OR 
     (segid "    " and resid "96  " and name "HG11")
 )
      5.000     5.000     0.000 peak  9054 weight  0.10000E+01 volume  0.51100E+00 ppm1      8.227 ppm2      1.133
 ASSI (
     (segid "    " and resid "128 " and name "HN  ")
 )(
     (segid "    " and resid "128 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9055 weight  0.10000E+01 volume  0.58600E+00 ppm1      8.227 ppm2      1.232
 ASSI (
     (segid "    " and resid "129 " and name "HN  ")
 )(
     (segid "    " and resid "159 " and name "HB  ")
  OR 
     (segid "    " and resid "134 " and name "HG  ")
  OR 
     (segid "    " and resid "130 " and name "HG1 ")
  OR 
     (segid "    " and resid "130 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9066 weight  0.10000E+01 volume  0.18400E+00 ppm1      8.293 ppm2      1.888
 ASSI (
     (segid "    " and resid "129 " and name "HN  ")
 )(
     (segid "    " and resid "127 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  9067 weight  0.10000E+01 volume  0.88000E-01 ppm1      8.291 ppm2      7.422
 ASSI (
     (segid "    " and resid "129 " and name "HN  ")
 )(
     (segid "    " and resid "126 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  9068 weight  0.10000E+01 volume  0.18700E+00 ppm1      8.299 ppm2      8.512
 ASSI (
     (segid "    " and resid "129 " and name "HN  ")
 )(
     (segid "    " and resid "128 " and name "HD23")
  OR 
     (segid "    " and resid "128 " and name "HD22")
  OR 
     (segid "    " and resid "128 " and name "HD21")
 )
      5.000     5.000     0.000 peak  9069 weight  0.10000E+01 volume  0.58600E+00 ppm1      8.284 ppm2      0.881
 ASSI (
     (segid "    " and resid "129 " and name "HN  ")
 )(
     (segid "    " and resid "127 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9070 weight  0.10000E+01 volume  0.15400E+00 ppm1      8.295 ppm2      4.290
 ASSI (
     (segid "    " and resid "131 " and name "HN  ")
 )(
     (segid "    " and resid "134 " and name "HD23")
  OR 
     (segid "    " and resid "134 " and name "HD22")
  OR 
     (segid "    " and resid "134 " and name "HD21")
  OR 
     (segid "    " and resid "128 " and name "HD13")
  OR 
     (segid "    " and resid "128 " and name "HD12")
  OR 
     (segid "    " and resid "128 " and name "HD11")
 )
      6.000     6.000     0.000 peak  9082 weight  0.10000E+01 volume  0.12700E+00 ppm1      6.826 ppm2      0.685
 ASSI (
     (segid "    " and resid "131 " and name "HN  ")
 )(
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
  OR 
     (segid "    " and resid "96  " and name "HG22")
  OR 
     (segid "    " and resid "96  " and name "HG13")
  OR 
     (segid "    " and resid "96  " and name "HG12")
  OR 
     (segid "    " and resid "96  " and name "HG11")
 )
      6.000     6.000     0.000 peak  9083 weight  0.10000E+01 volume  0.21600E+00 ppm1      6.825 ppm2      1.116
 ASSI (
     (segid "    " and resid "131 " and name "HN  ")
 )(
     (segid "    " and resid "134 " and name "HD13")
  OR 
     (segid "    " and resid "134 " and name "HD12")
  OR 
     (segid "    " and resid "134 " and name "HD11")
  OR 
     (segid "    " and resid "128 " and name "HD23")
  OR 
     (segid "    " and resid "128 " and name "HD22")
  OR 
     (segid "    " and resid "128 " and name "HD21")
  OR 
     (segid "    " and resid "102 " and name "HG23")
  OR 
     (segid "    " and resid "102 " and name "HG22")
  OR 
     (segid "    " and resid "102 " and name "HG21")
  OR 
     (segid "    " and resid "102 " and name "HG13")
  OR 
     (segid "    " and resid "102 " and name "HG11")
 )
      5.000     5.000     0.000 peak  9084 weight  0.10000E+01 volume  0.38500E+00 ppm1      6.828 ppm2      0.883
 ASSI (
     (segid "    " and resid "131 " and name "HN  ")
 )(
     (segid "    " and resid "130 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  9085 weight  0.10000E+01 volume  0.18900E+00 ppm1      6.827 ppm2      3.088
 ASSI (
     (segid "    " and resid "131 " and name "HN  ")
 )(
     (segid "    " and resid "130 " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  9086 weight  0.10000E+01 volume  0.51900E+00 ppm1      6.830 ppm2      3.475
 ASSI (
     (segid "    " and resid "131 " and name "HN  ")
 )(
     (segid "    " and resid "132 " and name "HB2 ")
  OR 
     (segid "    " and resid "132 " and name "HB1 ")
  OR 
     (segid "    " and resid "130 " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  9087 weight  0.10000E+01 volume  0.52400E+00 ppm1      6.829 ppm2      3.517
 ASSI (
     (segid "    " and resid "131 " and name "HN  ")
 )(
     (segid "    " and resid "128 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9088 weight  0.10000E+01 volume  0.14500E+00 ppm1      6.829 ppm2      3.885
 ASSI (
     (segid "    " and resid "131 " and name "HN  ")
 )(
     (segid "    " and resid "130 " and name "HG1 ")
  OR 
     (segid "    " and resid "130 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9089 weight  0.10000E+01 volume  0.78700E+00 ppm1      6.827 ppm2      1.873
 ASSI (
     (segid "    " and resid "131 " and name "HN  ")
 )(
     (segid "    " and resid "131 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9091 weight  0.10000E+01 volume  0.12390E+01 ppm1      6.828 ppm2      1.496
 ASSI (
     (segid "    " and resid "132 " and name "HN  ")
 )(
     (segid "    " and resid "129 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9097 weight  0.10000E+01 volume  0.19300E+00 ppm1      7.012 ppm2      3.760
 ASSI (
     (segid "    " and resid "132 " and name "HN  ")
 )(
     (segid "    " and resid "134 " and name "HD22")
  OR 
     (segid "    " and resid "134 " and name "HD21")
  OR 
     (segid "    " and resid "128 " and name "HD13")
  OR 
     (segid "    " and resid "128 " and name "HD12")
  OR 
     (segid "    " and resid "128 " and name "HD11")
  OR 
     (segid "    " and resid "113 " and name "HD13")
  OR 
     (segid "    " and resid "113 " and name "HD12")
 )
      5.000     5.000     0.000 peak  9098 weight  0.10000E+01 volume  0.56300E+00 ppm1      7.015 ppm2      0.713
 ASSI (
     (segid "    " and resid "132 " and name "HN  ")
 )(
     (segid "    " and resid "134 " and name "HD13")
  OR 
     (segid "    " and resid "128 " and name "HD23")
  OR 
     (segid "    " and resid "128 " and name "HD21")
  OR 
     (segid "    " and resid "102 " and name "HG22")
  OR 
     (segid "    " and resid "102 " and name "HG21")
  OR 
     (segid "    " and resid "102 " and name "HG13")
  OR 
     (segid "    " and resid "102 " and name "HG12")
  OR 
     (segid "    " and resid "102 " and name "HG11")
 )
      5.000     5.000     0.000 peak  9099 weight  0.10000E+01 volume  0.39700E+00 ppm1      7.008 ppm2      0.888
 ASSI (
     (segid "    " and resid "132 " and name "HN  ")
 )(
     (segid "    " and resid "131 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9100 weight  0.10000E+01 volume  0.15400E+00 ppm1      7.015 ppm2      2.277
 ASSI (
     (segid "    " and resid "133 " and name "HN  ")
 )(
     (segid "    " and resid "103 " and name "HD21")
 )
      6.000     6.000     0.000 peak  9109 weight  0.10000E+01 volume  0.10100E+00 ppm1      8.722 ppm2      7.536
 ASSI (
     (segid "    " and resid "133 " and name "HN  ")
 )(
     (segid "    " and resid "103 " and name "HD22")
 )
      6.000     6.000     0.000 peak  9110 weight  0.10000E+01 volume  0.17200E+00 ppm1      8.724 ppm2      6.771
 ASSI (
     (segid "    " and resid "133 " and name "HN  ")
 )(
     (segid "    " and resid "111 " and name "HD13")
  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
 )
      6.000     6.000     0.000 peak  9111 weight  0.10000E+01 volume  0.27600E+00 ppm1      8.717 ppm2      1.185
 ASSI (
     (segid "    " and resid "133 " and name "HN  ")
 )(
     (segid "    " and resid "134 " and name "HD23")
  OR 
     (segid "    " and resid "134 " and name "HD22")
  OR 
     (segid "    " and resid "134 " and name "HD21")
  OR 
     (segid "    " and resid "113 " and name "HG22")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )
      6.000     6.000     0.000 peak  9112 weight  0.10000E+01 volume  0.16000E+00 ppm1      8.723 ppm2      0.716
 ASSI (
     (segid "    " and resid "133 " and name "HN  ")
 )(
     (segid "    " and resid "128 " and name "HD22")
  OR 
     (segid "    " and resid "112 " and name "HG2 ")
  OR 
     (segid "    " and resid "102 " and name "HG23")
  OR 
     (segid "    " and resid "102 " and name "HG22")
  OR 
     (segid "    " and resid "102 " and name "HG21")
  OR 
     (segid "    " and resid "102 " and name "HG13")
  OR 
     (segid "    " and resid "102 " and name "HG11")
 )
      6.000     6.000     0.000 peak  9113 weight  0.10000E+01 volume  0.23400E+00 ppm1      8.720 ppm2      0.861
 ASSI (
     (segid "    " and resid "133 " and name "HN  ")
 )(
     (segid "    " and resid "111 " and name "HD23")
  OR 
     (segid "    " and resid "111 " and name "HD22")
  OR 
     (segid "    " and resid "111 " and name "HD21")
 )
      6.000     6.000     0.000 peak  9114 weight  0.10000E+01 volume  0.22200E+00 ppm1      8.720 ppm2      0.978
 ASSI (
     (segid "    " and resid "134 " and name "HN  ")
 )(
     (segid "    " and resid "136 " and name "HN  ")
  OR 
     (segid "    " and resid "103 " and name "HD21")
 )
      6.000     6.000     0.000 peak  9121 weight  0.10000E+01 volume  0.22600E+00 ppm1      7.964 ppm2      7.558
 ASSI (
     (segid "    " and resid "134 " and name "HN  ")
 )(
     (segid "    " and resid "133 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9122 weight  0.10000E+01 volume  0.24300E+00 ppm1      7.966 ppm2      2.567
 ASSI (
     (segid "    " and resid "135 " and name "HN  ")
 )(
     (segid "    " and resid "143 " and name "HG23")
  OR 
     (segid "    " and resid "143 " and name "HG22")
  OR 
     (segid "    " and resid "143 " and name "HG21")
 )
      6.000     6.000     0.000 peak  9131 weight  0.10000E+01 volume  0.11300E+00 ppm1      8.050 ppm2      1.251
 ASSI (
     (segid "    " and resid "135 " and name "HN  ")
 )(
     (segid "    " and resid "134 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9132 weight  0.10000E+01 volume  0.23300E+00 ppm1      8.049 ppm2      1.569
 ASSI (
     (segid "    " and resid "136 " and name "HN  ")
 )(
     (segid "    " and resid "143 " and name "HG23")
  OR 
     (segid "    " and resid "143 " and name "HG22")
  OR 
     (segid "    " and resid "143 " and name "HG21")
  OR 
     (segid "    " and resid "111 " and name "HD13")
  OR 
     (segid "    " and resid "111 " and name "HD12")
 )
      5.000     5.000     0.000 peak  9142 weight  0.10000E+01 volume  0.51700E+00 ppm1      7.555 ppm2      1.206
 ASSI (
     (segid "    " and resid "136 " and name "HN  ")
 )(
     (segid "    " and resid "136 " and name "HB2 ")
  OR 
     (segid "    " and resid "135 " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  9143 weight  0.10000E+01 volume  0.22180E+01 ppm1      7.556 ppm2      3.096
 ASSI (
     (segid "    " and resid "136 " and name "HN  ")
 )(
     (segid "    " and resid "136 " and name "HB1 ")
  OR 
     (segid "    " and resid "135 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9144 weight  0.10000E+01 volume  0.18950E+01 ppm1      7.560 ppm2      3.316
 ASSI (
     (segid "    " and resid "136 " and name "HN  ")
 )(
     (segid "    " and resid "133 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9145 weight  0.10000E+01 volume  0.18400E+00 ppm1      7.555 ppm2      2.921
 ASSI (
     (segid "    " and resid "137 " and name "HN  ")
 )(
     (segid "    " and resid "136 " and name "HN  ")
 )
      5.000     5.000     0.000 peak  9149 weight  0.10000E+01 volume  0.13930E+01 ppm1      7.445 ppm2      7.547
 ASSI (
     (segid "    " and resid "137 " and name "HN  ")
 )(
     (segid "    " and resid "137 " and name "HA  ")
 )
      3.300     3.300     0.000 peak  9152 weight  0.10000E+01 volume  0.22400E+01 ppm1      7.447 ppm2      4.193
 ASSI (
     (segid "    " and resid "138 " and name "HN  ")
 )(
     (segid "    " and resid "138 " and name "HB2 ")
  OR 
     (segid "    " and resid "137 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9158 weight  0.10000E+01 volume  0.11150E+01 ppm1      7.710 ppm2      1.579
 ASSI (
     (segid "    " and resid "138 " and name "HN  ")
 )(
     (segid "    " and resid "144 " and name "HD2 ")
  OR 
     (segid "    " and resid "141 " and name "HA2 ")
  OR 
     (segid "    " and resid "114 " and name "HB1 ")
  OR 
     (segid "    " and resid "110 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9159 weight  0.10000E+01 volume  0.45700E+00 ppm1      7.709 ppm2      3.680
 ASSI (
     (segid "    " and resid "138 " and name "HN  ")
 )(
     (segid "    " and resid "143 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9160 weight  0.10000E+01 volume  0.46000E-01 ppm1      7.704 ppm2      5.320
 ASSI (
     (segid "    " and resid "138 " and name "HN  ")
 )(
     (segid "    " and resid "114 " and name "HE2 ")
 )
      5.000     5.000     0.000 peak  9161 weight  0.10000E+01 volume  0.39700E+00 ppm1      7.706 ppm2     11.344
 ASSI (
     (segid "    " and resid "139 " and name "HN  ")
 )(
     (segid "    " and resid "109 " and name "HA1 ")
 )
      5.000     5.000     0.000 peak  9169 weight  0.10000E+01 volume  0.46900E+00 ppm1      8.303 ppm2      4.321
 ASSI (
     (segid "    " and resid "139 " and name "HN  ")
 )(
     (segid "    " and resid "141 " and name "HN  ")
  OR 
     (segid "    " and resid "109 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  9170 weight  0.10000E+01 volume  0.19300E+00 ppm1      8.298 ppm2      8.500
 ASSI (
     (segid "    " and resid "140 " and name "HN  ")
 )(
     (segid "    " and resid "141 " and name "HA1 ")
  OR 
     (segid "    " and resid "109 " and name "HA1 ")
 )
      5.000     5.000     0.000 peak  9179 weight  0.10000E+01 volume  0.31900E+00 ppm1      8.133 ppm2      4.341
 ASSI (
     (segid "    " and resid "140 " and name "HN  ")
 )(
     (segid "    " and resid "138 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9180 weight  0.10000E+01 volume  0.28100E+00 ppm1      8.129 ppm2      1.548
 ASSI (
     (segid "    " and resid "140 " and name "HN  ")
 )(
     (segid "    " and resid "141 " and name "HA2 ")
  OR 
     (segid "    " and resid "110 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9182 weight  0.10000E+01 volume  0.17100E+00 ppm1      8.142 ppm2      3.668
 ASSI (
     (segid "    " and resid "141 " and name "HN  ")
 )(
     (segid "    " and resid "140 " and name "HB1 ")
  OR 
     (segid "    " and resid "139 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9189 weight  0.10000E+01 volume  0.46600E+00 ppm1      8.449 ppm2      4.128
 ASSI (
     (segid "    " and resid "141 " and name "HN  ")
 )(
     (segid "    " and resid "140 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9190 weight  0.10000E+01 volume  0.39300E+00 ppm1      8.450 ppm2      4.510
 ASSI (
     (segid "    " and resid "141 " and name "HN  ")
 )(
     (segid "    " and resid "140 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9191 weight  0.10000E+01 volume  0.27000E+00 ppm1      8.453 ppm2      3.927
 ASSI (
     (segid "    " and resid "142 " and name "HN  ")
 )(
     (segid "    " and resid "140 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9196 weight  0.10000E+01 volume  0.26400E+00 ppm1      8.201 ppm2      4.113
 ASSI (
     (segid "    " and resid "142 " and name "HN  ")
 )(
     (segid "    " and resid "137 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9197 weight  0.10000E+01 volume  0.40300E+00 ppm1      8.198 ppm2      4.216
 ASSI (
     (segid "    " and resid "142 " and name "HN  ")
 )(
     (segid "    " and resid "138 " and name "HN  ")
 )
      5.000     5.000     0.000 peak  9198 weight  0.10000E+01 volume  0.71300E+00 ppm1      8.203 ppm2      7.693
 ASSI (
     (segid "    " and resid "143 " and name "HN  ")
 )(
     (segid "    " and resid "146 " and name "HB2 ")
  OR 
     (segid "    " and resid "146 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9209 weight  0.10000E+01 volume  0.16380E+01 ppm1      8.545 ppm2      2.141
 ASSI (
     (segid "    " and resid "145 " and name "HN  ")
 )(
     (segid "    " and resid "164 " and name "HB2 ")
  OR 
     (segid "    " and resid "160 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9217 weight  0.10000E+01 volume  0.84400E+00 ppm1      8.794 ppm2      1.901
 ASSI (
     (segid "    " and resid "145 " and name "HN  ")
 )(
     (segid "    " and resid "160 " and name "HD13")
  OR 
     (segid "    " and resid "160 " and name "HD12")
  OR 
     (segid "    " and resid "160 " and name "HD11")
 )
      5.000     5.000     0.000 peak  9218 weight  0.10000E+01 volume  0.32600E+00 ppm1      8.799 ppm2      0.631
 ASSI (
     (segid "    " and resid "145 " and name "HN  ")
 )(
     (segid "    " and resid "145 " and name "HD23")
  OR 
     (segid "    " and resid "145 " and name "HD22")
  OR 
     (segid "    " and resid "145 " and name "HD21")
  OR 
     (segid "    " and resid "145 " and name "HD13")
  OR 
     (segid "    " and resid "145 " and name "HD12")
  OR 
     (segid "    " and resid "145 " and name "HD11")
  OR 
     (segid "    " and resid "134 " and name "HD13")
 )
      5.000     5.000     0.000 peak  9219 weight  0.10000E+01 volume  0.62600E+00 ppm1      8.794 ppm2      0.972
 ASSI (
     (segid "    " and resid "145 " and name "HN  ")
 )(
     (segid "    " and resid "144 " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9220 weight  0.10000E+01 volume  0.76000E-01 ppm1      8.796 ppm2      4.281
 ASSI (
     (segid "    " and resid "145 " and name "HN  ")
 )(
     (segid "    " and resid "143 " and name "HB  ")
 )
      5.000     5.000     0.000 peak  9221 weight  0.10000E+01 volume  0.40100E+00 ppm1      8.795 ppm2      4.733
 ASSI (
     (segid "    " and resid "145 " and name "HN  ")
 )(
     (segid "    " and resid "160 " and name "HD23")
  OR 
     (segid "    " and resid "160 " and name "HD22")
  OR 
     (segid "    " and resid "160 " and name "HD21")
  OR 
     (segid "    " and resid "134 " and name "HD23")
  OR 
     (segid "    " and resid "134 " and name "HD22")
  OR 
     (segid "    " and resid "134 " and name "HD21")
  OR 
     (segid "    " and resid "117 " and name "HG23")
  OR 
     (segid "    " and resid "117 " and name "HG22")
  OR 
     (segid "    " and resid "117 " and name "HG21")
  OR 
     (segid "    " and resid "113 " and name "HD13")
  OR 
     (segid "    " and resid "113 " and name "HD12")
  OR 
     (segid "    " and resid "113 " and name "HD11")
  OR 
     (segid "    " and resid "113 " and name "HG23")
  OR 
     (segid "    " and resid "113 " and name "HG22")
 )
      5.000     5.000     0.000 peak  9222 weight  0.10000E+01 volume  0.34200E+00 ppm1      8.793 ppm2      0.725
 ASSI (
     (segid "    " and resid "145 " and name "HN  ")
 )(
     (segid "    " and resid "144 " and name "HD2 ")
  OR 
     (segid "    " and resid "144 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9223 weight  0.10000E+01 volume  0.33200E+00 ppm1      8.796 ppm2      3.689
 ASSI (
     (segid "    " and resid "146 " and name "HN  ")
 )(
     (segid "    " and resid "145 " and name "HD23")
  OR 
     (segid "    " and resid "145 " and name "HD22")
  OR 
     (segid "    " and resid "145 " and name "HD21")
  OR 
     (segid "    " and resid "145 " and name "HD13")
  OR 
     (segid "    " and resid "145 " and name "HD12")
 )
      6.000     6.000     0.000 peak  9230 weight  0.10000E+01 volume  0.26500E+00 ppm1      7.644 ppm2      0.968
 ASSI (
     (segid "    " and resid "146 " and name "HN  ")
 )(
     (segid "    " and resid "149 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9231 weight  0.10000E+01 volume  0.20900E+00 ppm1      7.643 ppm2      1.872
 ASSI (
     (segid "    " and resid "146 " and name "HN  ")
 )(
     (segid "    " and resid "164 " and name "HE3 ")
  OR 
     (segid "    " and resid "164 " and name "HE2 ")
  OR 
     (segid "    " and resid "164 " and name "HE1 ")
  OR 
     (segid "    " and resid "157 " and name "HE3 ")
  OR 
     (segid "    " and resid "157 " and name "HE1 ")
  OR 
     (segid "    " and resid "149 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9232 weight  0.10000E+01 volume  0.39300E+00 ppm1      7.640 ppm2      2.008
 ASSI (
     (segid "    " and resid "147 " and name "HN  ")
 )(
     (segid "    " and resid "143 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  9243 weight  0.10000E+01 volume  0.20000E+00 ppm1      8.755 ppm2      8.563
 ASSI (
     (segid "    " and resid "147 " and name "HN  ")
 )(
     (segid "    " and resid "147 " and name "HG  ")
  OR 
     (segid "    " and resid "147 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9244 weight  0.10000E+01 volume  0.16170E+01 ppm1      8.753 ppm2      1.533
 ASSI (
     (segid "    " and resid "147 " and name "HN  ")
 )(
     (segid "    " and resid "142 " and name "HD13")
  OR 
     (segid "    " and resid "142 " and name "HD12")
  OR 
     (segid "    " and resid "142 " and name "HD11")
  OR 
     (segid "    " and resid "117 " and name "HD13")
  OR 
     (segid "    " and resid "117 " and name "HD12")
  OR 
     (segid "    " and resid "117 " and name "HD11")
 )
      5.000     5.000     0.000 peak  9245 weight  0.10000E+01 volume  0.32800E+00 ppm1      8.758 ppm2      0.909
 ASSI (
     (segid "    " and resid "147 " and name "HN  ")
 )(
     (segid "    " and resid "142 " and name "HD22")
  OR 
     (segid "    " and resid "142 " and name "HD21")
 )
      5.000     5.000     0.000 peak  9246 weight  0.10000E+01 volume  0.49200E+00 ppm1      8.756 ppm2      0.758
 ASSI (
     (segid "    " and resid "148 " and name "HN  ")
 )(
     (segid "    " and resid "160 " and name "HD13")
  OR 
     (segid "    " and resid "160 " and name "HD12")
  OR 
     (segid "    " and resid "160 " and name "HD11")
 )
      6.000     6.000     0.000 peak  9255 weight  0.10000E+01 volume  0.16100E+00 ppm1      8.280 ppm2      0.624
 ASSI (
     (segid "    " and resid "148 " and name "HN  ")
 )(
     (segid "    " and resid "160 " and name "HG  ")
  OR 
     (segid "    " and resid "149 " and name "HG1 ")
  OR 
     (segid "    " and resid "145 " and name "HB1 ")
  OR 
     (segid "    " and resid "144 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9256 weight  0.10000E+01 volume  0.34100E+00 ppm1      8.273 ppm2      1.744
 ASSI (
     (segid "    " and resid "148 " and name "HN  ")
 )(
     (segid "    " and resid "117 " and name "HG23")
  OR 
     (segid "    " and resid "117 " and name "HG22")
  OR 
     (segid "    " and resid "117 " and name "HG21")
 )
      5.000     5.000     0.000 peak  9257 weight  0.10000E+01 volume  0.10030E+01 ppm1      8.276 ppm2      0.768
 ASSI (
     (segid "    " and resid "148 " and name "HN  ")
 )(
     (segid "    " and resid "157 " and name "HG2 ")
  OR 
     (segid "    " and resid "157 " and name "HG1 ")
  OR 
     (segid "    " and resid "150 " and name "HG2 ")
  OR 
     (segid "    " and resid "150 " and name "HB1 ")
  OR 
     (segid "    " and resid "146 " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  9258 weight  0.10000E+01 volume  0.19000E+00 ppm1      8.275 ppm2      2.376
 ASSI (
     (segid "    " and resid "148 " and name "HN  ")
 )(
     (segid "    " and resid "156 " and name "HG  ")
  OR 
     (segid "    " and resid "151 " and name "HG1 ")
  OR 
     (segid "    " and resid "149 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9259 weight  0.10000E+01 volume  0.41400E+00 ppm1      8.280 ppm2      1.868
 ASSI (
     (segid "    " and resid "148 " and name "HN  ")
 )(
     (segid "    " and resid "151 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  9260 weight  0.10000E+01 volume  0.49000E-01 ppm1      8.278 ppm2      7.783
 ASSI (
     (segid "    " and resid "148 " and name "HN  ")
 )(
     (segid "    " and resid "117 " and name "HD13")
  OR 
     (segid "    " and resid "117 " and name "HD12")
  OR 
     (segid "    " and resid "117 " and name "HD11")
 )
      5.000     5.000     0.000 peak  9261 weight  0.10000E+01 volume  0.72300E+00 ppm1      8.275 ppm2      0.882
 ASSI (
     (segid "    " and resid "149 " and name "HN  ")
 )(
     (segid "    " and resid "149 " and name "HD2 ")
  OR 
     (segid "    " and resid "149 " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9272 weight  0.10000E+01 volume  0.13000E-01 ppm1      8.556 ppm2      3.257
 ASSI (
     (segid "    " and resid "149 " and name "HN  ")
 )(
     (segid "    " and resid "157 " and name "HB2 ")
  OR 
     (segid "    " and resid "147 " and name "HB1 ")
  OR 
     (segid "    " and resid "146 " and name "HB2 ")
  OR 
     (segid "    " and resid "146 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9273 weight  0.10000E+01 volume  0.53100E+00 ppm1      8.556 ppm2      2.167
 ASSI (
     (segid "    " and resid "149 " and name "HN  ")
 )(
     (segid "    " and resid "157 " and name "HG2 ")
  OR 
     (segid "    " and resid "157 " and name "HG1 ")
  OR 
     (segid "    " and resid "150 " and name "HG2 ")
  OR 
     (segid "    " and resid "150 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9274 weight  0.10000E+01 volume  0.47800E+00 ppm1      8.554 ppm2      2.357
 ASSI (
     (segid "    " and resid "150 " and name "HN  ")
 )(
     (segid "    " and resid "156 " and name "HD11")
  OR 
     (segid "    " and resid "147 " and name "HD23")
  OR 
     (segid "    " and resid "147 " and name "HD22")
  OR 
     (segid "    " and resid "147 " and name "HD21")
 )
      6.000     6.000     0.000 peak  9285 weight  0.10000E+01 volume  0.19200E+00 ppm1      8.440 ppm2      1.042
 ASSI (
     (segid "    " and resid "150 " and name "HN  ")
 )(
     (segid "    " and resid "148 " and name "HB3 ")
  OR 
     (segid "    " and resid "148 " and name "HB2 ")
  OR 
     (segid "    " and resid "148 " and name "HB1 ")
  OR 
     (segid "    " and resid "147 " and name "HG  ")
 )
      6.000     6.000     0.000 peak  9286 weight  0.10000E+01 volume  0.20800E+00 ppm1      8.432 ppm2      1.479
 ASSI (
     (segid "    " and resid "150 " and name "HN  ")
 )(
     (segid "    " and resid "157 " and name "HA  ")
  OR 
     (segid "    " and resid "148 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9287 weight  0.10000E+01 volume  0.13400E+00 ppm1      8.431 ppm2      3.740
 ASSI (
     (segid "    " and resid "150 " and name "HE21")
 )(
     (segid "    " and resid "150 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9300 weight  0.10000E+01 volume  0.38400E+00 ppm1      7.589 ppm2      2.560
 ASSI (
     (segid "    " and resid "150 " and name "HE21")
 )(
     (segid "    " and resid "150 " and name "HE22")
 )
      2.700     2.700     0.000 peak  9302 weight  0.10000E+01 volume  0.10957E+02 ppm1      7.586 ppm2      6.755
 ASSI (
     (segid "    " and resid "150 " and name "HE22")
 )(
     (segid "    " and resid "150 " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  9303 weight  0.10000E+01 volume  0.24600E+00 ppm1      6.759 ppm2      2.561
 ASSI (
     (segid "    " and resid "150 " and name "HE22")
 )(
     (segid "    " and resid "150 " and name "HE21")
 )
      2.700     2.700     0.000 peak  9304 weight  0.10000E+01 volume  0.10819E+02 ppm1      6.756 ppm2      7.583
 ASSI (
     (segid "    " and resid "151 " and name "HN  ")
 )(
     (segid "    " and resid "149 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  9306 weight  0.10000E+01 volume  0.23400E+00 ppm1      7.806 ppm2      8.544
 ASSI (
     (segid "    " and resid "151 " and name "HN  ")
 )(
     (segid "    " and resid "151 " and name "HG1 ")
  OR 
     (segid "    " and resid "151 " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  9307 weight  0.10000E+01 volume  0.33960E+01 ppm1      7.799 ppm2      1.842
 ASSI (
     (segid "    " and resid "151 " and name "HN  ")
 )(
     (segid "    " and resid "151 " and name "HG2 ")
  OR 
     (segid "    " and resid "151 " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  9308 weight  0.10000E+01 volume  0.29930E+01 ppm1      7.797 ppm2      1.746
 ASSI (
     (segid "    " and resid "152 " and name "HN  ")
 )(
     (segid "    " and resid "151 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9318 weight  0.10000E+01 volume  0.56000E+00 ppm1      7.997 ppm2      1.782
 ASSI (
     (segid "    " and resid "152 " and name "HN  ")
 )(
     (segid "    " and resid "156 " and name "HG  ")
  OR 
     (segid "    " and resid "151 " and name "HG1 ")
  OR 
     (segid "    " and resid "149 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9319 weight  0.10000E+01 volume  0.48100E+00 ppm1      7.999 ppm2      1.860
 ASSI (
     (segid "    " and resid "152 " and name "HN  ")
 )(
     (segid "    " and resid "153 " and name "HB3 ")
  OR 
     (segid "    " and resid "153 " and name "HB2 ")
  OR 
     (segid "    " and resid "153 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9320 weight  0.10000E+01 volume  0.28300E+00 ppm1      7.989 ppm2      1.373
 ASSI (
     (segid "    " and resid "152 " and name "HN  ")
 )(
     (segid "    " and resid "151 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9321 weight  0.10000E+01 volume  0.33400E+00 ppm1      7.996 ppm2      2.136
 ASSI (
     (segid "    " and resid "152 " and name "HN  ")
 )(
     (segid "    " and resid "150 " and name "HN  ")
 )
      6.000     6.000     0.000 peak  9323 weight  0.10000E+01 volume  0.11700E+00 ppm1      7.995 ppm2      8.450
 ASSI (
     (segid "    " and resid "153 " and name "HN  ")
 )(
     (segid "    " and resid "157 " and name "HA  ")
  OR 
     (segid "    " and resid "148 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9328 weight  0.10000E+01 volume  0.25100E+00 ppm1      7.831 ppm2      3.762
 ASSI (
     (segid "    " and resid "153 " and name "HN  ")
 )(
     (segid "    " and resid "151 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9330 weight  0.10000E+01 volume  0.32300E+00 ppm1      7.837 ppm2      4.323
 ASSI (
     (segid "    " and resid "155 " and name "HD22")
 )(
     (segid "    " and resid "155 " and name "HD21")
 )
      5.000     5.000     0.000 peak  9335 weight  0.10000E+01 volume  0.56000E+00 ppm1      7.160 ppm2      7.846
 ASSI (
     (segid "    " and resid "156 " and name "HN  ")
 )(
     (segid "    " and resid "153 " and name "HB3 ")
  OR 
     (segid "    " and resid "153 " and name "HB2 ")
  OR 
     (segid "    " and resid "153 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9337 weight  0.10000E+01 volume  0.69000E+00 ppm1      7.138 ppm2      1.365
 ASSI (
     (segid "    " and resid "157 " and name "HN  ")
 )(
     (segid "    " and resid "152 " and name "HA1 ")
 )
      5.000     5.000     0.000 peak  9347 weight  0.10000E+01 volume  0.57900E+00 ppm1      8.176 ppm2      4.004
 ASSI (
     (segid "    " and resid "157 " and name "HN  ")
 )(
     (segid "    " and resid "156 " and name "HG  ")
 )
      5.000     5.000     0.000 peak  9348 weight  0.10000E+01 volume  0.49400E+00 ppm1      8.181 ppm2      1.891
 ASSI (
     (segid "    " and resid "157 " and name "HN  ")
 )(
     (segid "    " and resid "148 " and name "HB3 ")
  OR 
     (segid "    " and resid "148 " and name "HB2 ")
  OR 
     (segid "    " and resid "148 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9349 weight  0.10000E+01 volume  0.56700E+00 ppm1      8.173 ppm2      1.413
 ASSI (
     (segid "    " and resid "157 " and name "HN  ")
 )(
     (segid "    " and resid "156 " and name "HD22")
 )
      6.000     6.000     0.000 peak  9350 weight  0.10000E+01 volume  0.17500E+00 ppm1      8.172 ppm2      0.748
 ASSI (
     (segid "    " and resid "158 " and name "HN  ")
 )(
     (segid "    " and resid "161 " and name "HB2 ")
  OR 
     (segid "    " and resid "157 " and name "HE3 ")
  OR 
     (segid "    " and resid "157 " and name "HE2 ")
  OR 
     (segid "    " and resid "157 " and name "HE1 ")
  OR 
     (segid "    " and resid "156 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9361 weight  0.10000E+01 volume  0.62400E+00 ppm1      8.302 ppm2      2.080
 ASSI (
     (segid "    " and resid "158 " and name "HN  ")
 )(
     (segid "    " and resid "156 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9362 weight  0.10000E+01 volume  0.11200E+00 ppm1      8.302 ppm2      4.137
 ASSI (
     (segid "    " and resid "158 " and name "HN  ")
 )(
     (segid "    " and resid "162 " and name "HA1 ")
  OR 
     (segid "    " and resid "161 " and name "HA  ")
  OR 
     (segid "    " and resid "152 " and name "HA1 ")
  OR 
     (segid "    " and resid "126 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9363 weight  0.10000E+01 volume  0.24300E+00 ppm1      8.307 ppm2      3.988
 ASSI (
     (segid "    " and resid "158 " and name "HN  ")
 )(
     (segid "    " and resid "157 " and name "HG2 ")
  OR 
     (segid "    " and resid "157 " and name "HG1 ")
  OR 
     (segid "    " and resid "157 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9364 weight  0.10000E+01 volume  0.14640E+01 ppm1      8.298 ppm2      2.292
 ASSI (
     (segid "    " and resid "159 " and name "HN  ")
 )(
     (segid "    " and resid "160 " and name "HD23")
  OR 
     (segid "    " and resid "160 " and name "HD22")
  OR 
     (segid "    " and resid "160 " and name "HD21")
  OR 
     (segid "    " and resid "156 " and name "HD22")
 )
      6.000     6.000     0.000 peak  9375 weight  0.10000E+01 volume  0.29300E+00 ppm1      7.371 ppm2      0.747
 ASSI (
     (segid "    " and resid "159 " and name "HN  ")
 )(
     (segid "    " and resid "158 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9376 weight  0.10000E+01 volume  0.46300E+00 ppm1      7.382 ppm2      4.333
 ASSI (
     (segid "    " and resid "161 " and name "HN  ")
 )(
     (segid "    " and resid "145 " and name "HD23")
  OR 
     (segid "    " and resid "145 " and name "HD22")
  OR 
     (segid "    " and resid "145 " and name "HD21")
  OR 
     (segid "    " and resid "145 " and name "HD12")
 )
      5.000     5.000     0.000 peak  9394 weight  0.10000E+01 volume  0.65500E+00 ppm1      8.759 ppm2      0.984
 ASSI (
     (segid "    " and resid "161 " and name "HN  ")
 )(
     (segid "    " and resid "159 " and name "HD12")
  OR 
     (segid "    " and resid "159 " and name "HD11")
  OR 
     (segid "    " and resid "159 " and name "HG23")
  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "159 " and name "HG21")
  OR 
     (segid "    " and resid "145 " and name "HD13")
  OR 
     (segid "    " and resid "145 " and name "HD12")
  OR 
     (segid "    " and resid "145 " and name "HD11")
  OR 
     (segid "    " and resid "134 " and name "HD13")
  OR 
     (segid "    " and resid "134 " and name "HD12")
  OR 
     (segid "    " and resid "134 " and name "HD11")
 )
      5.000     5.000     0.000 peak  9395 weight  0.10000E+01 volume  0.60900E+00 ppm1      8.759 ppm2      0.922
 ASSI (
     (segid "    " and resid "161 " and name "HN  ")
 )(
     (segid "    " and resid "159 " and name "HA  ")
  OR 
     (segid "    " and resid "157 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9396 weight  0.10000E+01 volume  0.28600E+00 ppm1      8.764 ppm2      3.718
 ASSI (
     (segid "    " and resid "161 " and name "HE21")
 )(
     (segid "    " and resid "161 " and name "HB2 ")
  OR 
     (segid "    " and resid "161 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9410 weight  0.10000E+01 volume  0.34300E+00 ppm1      7.192 ppm2      2.163
 ASSI (
     (segid "    " and resid "161 " and name "HE21")
 )(
     (segid "    " and resid "161 " and name "HE22")
 )
      2.700     2.700     0.000 peak  9412 weight  0.10000E+01 volume  0.10932E+02 ppm1      7.193 ppm2      6.813
 ASSI (
     (segid "    " and resid "161 " and name "HE22")
 )(
     (segid "    " and resid "161 " and name "HE21")
 )
      2.700     2.700     0.000 peak  9413 weight  0.10000E+01 volume  0.13250E+02 ppm1      6.816 ppm2      7.188
 ASSI (
     (segid "    " and resid "163 " and name "HN  ")
 )(
     (segid "    " and resid "164 " and name "HN  ")
  OR 
     (segid "    " and resid "162 " and name "HN  ")
 )
      5.000     5.000     0.000 peak  9421 weight  0.10000E+01 volume  0.19360E+01 ppm1      7.474 ppm2      7.591
 ASSI (
     (segid "    " and resid "114 " and name "HD2 ")
  OR 
     (segid "    " and resid "31  " and name "HD2 ")
 )(
     (segid "    " and resid "144 " and name "HA  ")
  OR 
     (segid "    " and resid "114 " and name "HB1 ")
  OR 
     (segid "    " and resid "27  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9447 weight  0.10000E+01 volume -0.81200E+00 ppm1      6.962 ppm2      3.671
 ASSI (
     (segid "    " and resid "121 " and name "HD2 ")
 )(
     (segid "    " and resid "117 " and name "HA  ")
  OR 
     (segid "    " and resid "85  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9448 weight  0.10000E+01 volume -0.50000E-01 ppm1      7.259 ppm2      3.467
 ASSI (
     (segid "    " and resid "121 " and name "HD2 ")
 )(
     (segid "    " and resid "124 " and name "HG23")
  OR 
     (segid "    " and resid "124 " and name "HG21")
  OR 
     (segid "    " and resid "124 " and name "HG13")
  OR 
     (segid "    " and resid "124 " and name "HG12")
  OR 
     (segid "    " and resid "124 " and name "HG11")
 )
      6.000     6.000     0.000 peak  9449 weight  0.10000E+01 volume -0.19800E+00 ppm1      7.265 ppm2      0.964
 ASSI (
     (segid "    " and resid "121 " and name "HD2 ")
 )(
     (segid "    " and resid "85  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9450 weight  0.10000E+01 volume -0.12300E+00 ppm1      7.261 ppm2      3.756
 ASSI (
     (segid "    " and resid "121 " and name "HD2 ")
 )(
     (segid "    " and resid "119 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9451 weight  0.10000E+01 volume -0.13300E+00 ppm1      7.274 ppm2      4.264
 ASSI (
     (segid "    " and resid "121 " and name "HD2 ")
 )(
     (segid "    " and resid "119 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9452 weight  0.10000E+01 volume -0.19200E+00 ppm1      7.269 ppm2      2.055
 ASSI (
     (segid "    " and resid "121 " and name "HD2 ")
 )(
     (segid "    " and resid "123 " and name "HB2 ")
  OR 
     (segid "    " and resid "120 " and name "HA1 ")
  OR 
     (segid "    " and resid "84  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9453 weight  0.10000E+01 volume -0.77000E-01 ppm1      7.259 ppm2      4.021
 ASSI (
     (segid "    " and resid "121 " and name "HD2 ")
 )(
     (segid "    " and resid "124 " and name "HB  ")
  OR 
     (segid "    " and resid "119 " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  9454 weight  0.10000E+01 volume -0.13200E+00 ppm1      7.264 ppm2      2.407
 ASSI (
     (segid "    " and resid "127 " and name "HZ  ")
 )(
     (segid "    " and resid "128 " and name "HD23")
  OR 
     (segid "    " and resid "128 " and name "HD22")
  OR 
     (segid "    " and resid "128 " and name "HD21")
  OR 
     (segid "    " and resid "102 " and name "HG23")
  OR 
     (segid "    " and resid "102 " and name "HG13")
  OR 
     (segid "    " and resid "102 " and name "HG12")
  OR 
     (segid "    " and resid "102 " and name "HG11")
 )
      6.000     6.000     0.000 peak  9457 weight  0.10000E+01 volume -0.13300E+00 ppm1      7.326 ppm2      0.905
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9458 weight  0.10000E+01 volume -0.99500E+00 ppm1      7.197 ppm2      1.326
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "91  " and name "HA  ")
  OR 
     (segid "    " and resid "83  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9459 weight  0.10000E+01 volume -0.54300E+00 ppm1      7.201 ppm2      3.792
 ASSI (
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )(
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  9460 weight  0.10000E+01 volume -0.30400E+00 ppm1      7.197 ppm2      1.686
 ASSI (
     (segid "    " and resid "53  " and name "HZ  ")
 )(
     (segid "    " and resid "79  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9461 weight  0.10000E+01 volume -0.11000E+00 ppm1      7.459 ppm2      4.738
 ASSI (
     (segid "    " and resid "127 " and name "HE2 ")
  OR 
     (segid "    " and resid "127 " and name "HE1 ")
 )(
     (segid "    " and resid "93  " and name "HG2 ")
  OR 
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )
      6.000     6.000     0.000 peak  9462 weight  0.10000E+01 volume -0.13300E+00 ppm1      7.225 ppm2      0.628
 ASSI (
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )(
     (segid "    " and resid "128 " and name "HD23")
  OR 
     (segid "    " and resid "128 " and name "HD22")
  OR 
     (segid "    " and resid "128 " and name "HD21")
 )
      5.000     5.000     0.000 peak  9463 weight  0.10000E+01 volume -0.63400E+00 ppm1      7.132 ppm2      0.895
 ASSI (
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )(
     (segid "    " and resid "93  " and name "HB2 ")
  OR 
     (segid "    " and resid "92  " and name "HG  ")
 )
      6.000     6.000     0.000 peak  9464 weight  0.10000E+01 volume -0.84000E-01 ppm1      7.135 ppm2      1.627
 ASSI (
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )(
     (segid "    " and resid "128 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9465 weight  0.10000E+01 volume -0.78000E-01 ppm1      7.134 ppm2      3.864
 ASSI (
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )(
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "93  " and name "HA  ")
  OR 
     (segid "    " and resid "89  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9466 weight  0.10000E+01 volume -0.12200E+00 ppm1      7.143 ppm2      3.742
 ASSI (
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )(
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9467 weight  0.10000E+01 volume -0.52700E+00 ppm1      7.325 ppm2      1.328
 ASSI (
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )(
     (segid "    " and resid "82  " and name "HB2 ")
  OR 
     (segid "    " and resid "79  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9468 weight  0.10000E+01 volume -0.23700E+00 ppm1      7.320 ppm2      1.955
 ASSI (
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )(
     (segid "    " and resid "82  " and name "HB1 ")
  OR 
     (segid "    " and resid "51  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  9469 weight  0.10000E+01 volume -0.22500E+00 ppm1      7.316 ppm2      2.309
 ASSI (
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )(
     (segid "    " and resid "128 " and name "HD23")
  OR 
     (segid "    " and resid "128 " and name "HD22")
  OR 
     (segid "    " and resid "128 " and name "HD21")
  OR 
     (segid "    " and resid "102 " and name "HG22")
  OR 
     (segid "    " and resid "102 " and name "HG13")
  OR 
     (segid "    " and resid "102 " and name "HG12")
  OR 
     (segid "    " and resid "102 " and name "HG11")
  OR 
     (segid "    " and resid "80  " and name "HG13")
  OR 
     (segid "    " and resid "80  " and name "HG12")
  OR 
     (segid "    " and resid "80  " and name "HG11")
  OR 
     (segid "    " and resid "71  " and name "HG22")
  OR 
     (segid "    " and resid "71  " and name "HG21")
  OR 
     (segid "    " and resid "71  " and name "HG13")
  OR 
     (segid "    " and resid "71  " and name "HG12")
  OR 
     (segid "    " and resid "63  " and name "HB2 ")
  OR 
     (segid "    " and resid "62  " and name "HD23")
  OR 
     (segid "    " and resid "50  " and name "HG23")
  OR 
     (segid "    " and resid "50  " and name "HG22")
  OR 
     (segid "    " and resid "50  " and name "HG21")
  OR 
     (segid "    " and resid "50  " and name "HG13")
  OR 
     (segid "    " and resid "50  " and name "HG12")
  OR 
     (segid "    " and resid "50  " and name "HG11")
 )
      6.000     6.000     0.000 peak  9470 weight  0.10000E+01 volume -0.22700E+00 ppm1      7.316 ppm2      0.880
 ASSI (
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )(
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  9471 weight  0.10000E+01 volume -0.25100E+00 ppm1      7.318 ppm2      1.688
 ASSI (
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )(
     (segid "    " and resid "96  " and name "HG23")
  OR 
     (segid "    " and resid "96  " and name "HG22")
  OR 
     (segid "    " and resid "96  " and name "HG21")
  OR 
     (segid "    " and resid "96  " and name "HG13")
  OR 
     (segid "    " and resid "95  " and name "HB2 ")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
  OR 
     (segid "    " and resid "51  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  9472 weight  0.10000E+01 volume -0.28400E+00 ppm1      7.318 ppm2      1.144
 ASSI (
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )(
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  OR 
     (segid "    " and resid "95  " and name "HD12")
  OR 
     (segid "    " and resid "95  " and name "HD11")
 )
      6.000     6.000     0.000 peak  9473 weight  0.10000E+01 volume -0.20200E+00 ppm1      7.313 ppm2      0.767
 ASSI (
     (segid "    " and resid "81  " and name "HE1 ")
 )(
     (segid "    " and resid "112 " and name "HG2 ")
  OR 
     (segid "    " and resid "80  " and name "HG23")
  OR 
     (segid "    " and resid "80  " and name "HG22")
  OR 
     (segid "    " and resid "80  " and name "HG21")
  OR 
     (segid "    " and resid "80  " and name "HG13")
  OR 
     (segid "    " and resid "80  " and name "HG12")
  OR 
     (segid "    " and resid "80  " and name "HG11")
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      6.000     6.000     0.000 peak  9474 weight  0.10000E+01 volume -0.82000E-01 ppm1      7.464 ppm2      0.872
 ASSI (
     (segid "    " and resid "81  " and name "HE1 ")
 )(
     (segid "    " and resid "77  " and name "HA  ")
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      6.000     6.000     0.000 peak  9475 weight  0.10000E+01 volume -0.91000E-01 ppm1      7.464 ppm2      3.781
 ASSI (
     (segid "    " and resid "81  " and name "HE1 ")
 )(
     (segid "    " and resid "112 " and name "HA  ")
  OR 
     (segid "    " and resid "104 " and name "HA  ")
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      6.000     6.000     0.000 peak  9476 weight  0.10000E+01 volume -0.10600E+00 ppm1      7.464 ppm2      4.155
 ASSI (
     (segid "    " and resid "81  " and name "HE1 ")
 )(
     (segid "    " and resid "112 " and name "HD1 ")
  OR 
     (segid "    " and resid "78  " and name "HB2 ")
  OR 
     (segid "    " and resid "76  " and name "HA1 ")
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      6.000     6.000     0.000 peak  9477 weight  0.10000E+01 volume -0.11400E+00 ppm1      7.464 ppm2      4.262
 ASSI (
     (segid "    " and resid "81  " and name "HE1 ")
 )(
     (segid "    " and resid "106 " and name "HA  ")
  OR 
     (segid "    " and resid "105 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9478 weight  0.10000E+01 volume -0.16400E+00 ppm1      7.464 ppm2      4.929
 ASSI (
     (segid "    " and resid "113 " and name "HD13")
  OR 
     (segid "    " and resid "113 " and name "HD12")
  OR 
     (segid "    " and resid "113 " and name "HD11")
 )(
     (segid "    " and resid "129 " and name "HA  ")
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      5.000     5.000     0.000 peak  9479 weight  0.10000E+01 volume -0.18190E+01 ppm1      0.739 ppm2      3.740
 ASSI (
     (segid "    " and resid "159 " and name "HD13")
  OR 
     (segid "    " and resid "159 " and name "HD12")
  OR 
     (segid "    " and resid "159 " and name "HD11")
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  OR 
     (segid "    " and resid "153 " and name "HB2 ")
  OR 
     (segid "    " and resid "153 " and name "HB1 ")
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      5.000     5.000     0.000 peak  9480 weight  0.10000E+01 volume -0.30500E+00 ppm1      0.899 ppm2      1.353
 ASSI (
     (segid "    " and resid "159 " and name "HD13")
  OR 
     (segid "    " and resid "159 " and name "HD12")
  OR 
     (segid "    " and resid "159 " and name "HD11")
 )(
     (segid "    " and resid "126 " and name "HA  ")
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      5.000     5.000     0.000 peak  9481 weight  0.10000E+01 volume -0.17100E+01 ppm1      0.911 ppm2      4.009
 ASSI (
     (segid "    " and resid "159 " and name "HD13")
  OR 
     (segid "    " and resid "159 " and name "HD11")
 )(
     (segid "    " and resid "126 " and name "HB2 ")
  OR 
     (segid "    " and resid "126 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9482 weight  0.10000E+01 volume -0.16960E+01 ppm1      0.910 ppm2      3.879
 ASSI (
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
 )(
     (segid "    " and resid "126 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9483 weight  0.10000E+01 volume -0.60200E+00 ppm1      1.131 ppm2      4.007
 ASSI (
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
 )(
     (segid "    " and resid "163 " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  9487 weight  0.10000E+01 volume -0.71600E+00 ppm1      1.128 ppm2      7.009
 ASSI (
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
 )(
     (segid "    " and resid "130 " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  9484 weight  0.10000E+01 volume -0.10100E+01 ppm1      1.135 ppm2      3.472
 ASSI (
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
 )(
     (segid "    " and resid "130 " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  9485 weight  0.10000E+01 volume -0.10760E+01 ppm1      1.139 ppm2      3.061
 ASSI (
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
 )(
     (segid "    " and resid "130 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9486 weight  0.10000E+01 volume -0.99000E-01 ppm1      1.139 ppm2      4.155
 ASSI (
     (segid "    " and resid "113 " and name "HG23")
  OR 
     (segid "    " and resid "113 " and name "HG22")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )(
     (segid "    " and resid "111 " and name "HA  ")
  OR 
     (segid "    " and resid "103 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9488 weight  0.10000E+01 volume -0.16200E+00 ppm1      0.739 ppm2      5.302
 ASSI (
     (segid "    " and resid "113 " and name "HG23")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )(
     (segid "    " and resid "111 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9489 weight  0.10000E+01 volume -0.62400E+00 ppm1      0.750 ppm2      2.440
 ASSI (
     (segid "    " and resid "113 " and name "HG23")
  OR 
     (segid "    " and resid "113 " and name "HG22")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )(
     (segid "    " and resid "132 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9490 weight  0.10000E+01 volume -0.11800E+00 ppm1      0.758 ppm2      5.087
 ASSI (
     (segid "    " and resid "164 " and name "HE3 ")
  OR 
     (segid "    " and resid "164 " and name "HE2 ")
  OR 
     (segid "    " and resid "164 " and name "HE1 ")
 )(
     (segid "    " and resid "167 " and name "HD2 ")
  OR 
     (segid "    " and resid "144 " and name "HD2 ")
  OR 
     (segid "    " and resid "144 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9491 weight  0.10000E+01 volume -0.80000E-01 ppm1      1.972 ppm2      3.723
 ASSI (
     (segid "    " and resid "117 " and name "HG23")
  OR 
     (segid "    " and resid "117 " and name "HG22")
  OR 
     (segid "    " and resid "117 " and name "HG21")
 )(
     (segid "    " and resid "148 " and name "HA  ")
 )
      3.300     3.300     0.000 peak  9492 weight  0.10000E+01 volume -0.22330E+01 ppm1      0.779 ppm2      3.739
 ASSI (
     (segid "    " and resid "159 " and name "HG23")
  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "159 " and name "HG21")
 )(
     (segid "    " and resid "163 " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  9493 weight  0.10000E+01 volume -0.44700E+00 ppm1      0.904 ppm2      7.019
 ASSI (
     (segid "    " and resid "117 " and name "HD13")
  OR 
     (segid "    " and resid "117 " and name "HD12")
  OR 
     (segid "    " and resid "117 " and name "HD11")
 )(
     (segid "    " and resid "114 " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  9494 weight  0.10000E+01 volume -0.36800E+00 ppm1      0.904 ppm2      6.953
 ASSI (
     (segid "    " and resid "165 " and name "HE3 ")
  OR 
     (segid "    " and resid "165 " and name "HE2 ")
  OR 
     (segid "    " and resid "165 " and name "HE1 ")
  OR 
     (segid "    " and resid "52  " and name "HE3 ")
  OR 
     (segid "    " and resid "52  " and name "HE1 ")
 )(
     (segid "    " and resid "167 " and name "HD2 ")
  OR 
     (segid "    " and resid "55  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9495 weight  0.10000E+01 volume -0.33000E+00 ppm1      2.081 ppm2      3.682
 ASSI (
     (segid "    " and resid "52  " and name "HE3 ")
  OR 
     (segid "    " and resid "52  " and name "HE2 ")
  OR 
     (segid "    " and resid "52  " and name "HE1 ")
 )(
     (segid "    " and resid "21  " and name "HA2 ")
 )
      6.000     6.000     0.000 peak  9496 weight  0.10000E+01 volume -0.28400E+00 ppm1      2.080 ppm2      3.577
 ASSI (
     (segid "    " and resid "59  " and name "HB3 ")
  OR 
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9497 weight  0.10000E+01 volume -0.93900E+00 ppm1      1.315 ppm2      4.307
 ASSI (
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
  OR 
     (segid "    " and resid "59  " and name "HB3 ")
  OR 
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
 )(
     (segid "    " and resid "91  " and name "HB  ")
  OR 
     (segid "    " and resid "52  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9498 weight  0.10000E+01 volume -0.11630E+01 ppm1      1.326 ppm2      4.208
 ASSI (
     (segid "    " and resid "18  " and name "HB3 ")
  OR 
     (segid "    " and resid "18  " and name "HB2 ")
  OR 
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9499 weight  0.10000E+01 volume -0.16070E+01 ppm1      1.326 ppm2      1.967
 ASSI (
     (segid "    " and resid "139 " and name "HB3 ")
  OR 
     (segid "    " and resid "139 " and name "HB2 ")
  OR 
     (segid "    " and resid "139 " and name "HB1 ")
 )(
     (segid "    " and resid "109 " and name "HA1 ")
 )
      5.000     5.000     0.000 peak 10135 weight  0.10000E+01 volume -0.67000E+00 ppm1      1.406 ppm2      4.341
 ASSI (
     (segid "    " and resid "47  " and name "HB3 ")
  OR 
     (segid "    " and resid "47  " and name "HB2 ")
  OR 
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HB  ")
  OR 
     (segid "    " and resid "51  " and name "HG1 ")
  OR 
     (segid "    " and resid "10  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  9500 weight  0.10000E+01 volume -0.15200E+00 ppm1      1.226 ppm2      2.316
 ASSI (
     (segid "    " and resid "71  " and name "HG13")
  OR 
     (segid "    " and resid "71  " and name "HG12")
  OR 
     (segid "    " and resid "71  " and name "HG11")
 )(
     (segid "    " and resid "48  " and name "HB2 ")
  OR 
     (segid "    " and resid "45  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  9501 weight  0.10000E+01 volume -0.77400E+00 ppm1      0.846 ppm2      1.393
 ASSI (
     (segid "    " and resid "47  " and name "HB3 ")
  OR 
     (segid "    " and resid "47  " and name "HB2 ")
  OR 
     (segid "    " and resid "47  " and name "HB1 ")
 )(
     (segid "    " and resid "62  " and name "HD13")
  OR 
     (segid "    " and resid "62  " and name "HD12")
  OR 
     (segid "    " and resid "62  " and name "HD11")
 )
      3.300     3.300     0.000 peak  9502 weight  0.10000E+01 volume -0.27580E+01 ppm1      1.246 ppm2      0.686
 ASSI (
     (segid "    " and resid "39  " and name "HB3 ")
  OR 
     (segid "    " and resid "39  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10140 weight  0.10000E+01 volume -0.46000E+00 ppm1      1.401 ppm2      2.877
 ASSI (
     (segid "    " and resid "39  " and name "HB3 ")
  OR 
     (segid "    " and resid "39  " and name "HB2 ")
  OR 
     (segid "    " and resid "39  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HB1 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10141 weight  0.10000E+01 volume -0.42400E+00 ppm1      1.402 ppm2      3.197
 ASSI (
     (segid "    " and resid "71  " and name "HG13")
  OR 
     (segid "    " and resid "71  " and name "HG11")
 )(
     (segid "    " and resid "49  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9504 weight  0.10000E+01 volume -0.81500E+00 ppm1      0.841 ppm2      4.216
 ASSI (
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )(
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  OR 
     (segid "    " and resid "95  " and name "HD22")
  OR 
     (segid "    " and resid "95  " and name "HD21")
  OR 
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
 )
      3.300     3.300     0.000 peak  9505 weight  0.10000E+01 volume -0.33810E+01 ppm1      1.685 ppm2      0.949
 ASSI (
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )(
     (segid "    " and resid "59  " and name "HB3 ")
  OR 
     (segid "    " and resid "59  " and name "HB2 ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  9506 weight  0.10000E+01 volume -0.37550E+01 ppm1      1.687 ppm2      1.336
 ASSI (
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )(
     (segid "    " and resid "59  " and name "HA  ")
  OR 
     (segid "    " and resid "48  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9507 weight  0.10000E+01 volume -0.14030E+01 ppm1      1.686 ppm2      3.771
 ASSI (
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  9508 weight  0.10000E+01 volume -0.46400E+00 ppm1      1.689 ppm2      7.199
 ASSI (
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )(
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  OR 
     (segid "    " and resid "95  " and name "HD12")
  OR 
     (segid "    " and resid "95  " and name "HD11")
  OR 
     (segid "    " and resid "48  " and name "HD23")
  OR 
     (segid "    " and resid "48  " and name "HD22")
  OR 
     (segid "    " and resid "48  " and name "HD21")
 )
      3.300     3.300     0.000 peak  9509 weight  0.10000E+01 volume -0.30930E+01 ppm1      1.687 ppm2      0.789
 ASSI (
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )(
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  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
  OR 
     (segid "    " and resid "51  " and name "HG2 ")
 )
      2.700     2.700     0.000 peak  9510 weight  0.10000E+01 volume -0.41450E+01 ppm1      1.692 ppm2      1.141
 ASSI (
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )(
     (segid "    " and resid "79  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9511 weight  0.10000E+01 volume -0.59900E+00 ppm1      1.689 ppm2      2.459
 ASSI (
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
  OR 
     (segid "    " and resid "51  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9512 weight  0.10000E+01 volume -0.39700E+00 ppm1      1.686 ppm2      3.432
 ASSI (
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )(
     (segid "    " and resid "51  " and name "HG1 ")
 )
      3.300     3.300     0.000 peak  9513 weight  0.10000E+01 volume -0.21900E+01 ppm1      1.690 ppm2      2.333
 ASSI (
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )(
     (segid "    " and resid "53  " and name "HB2 ")
  OR 
     (segid "    " and resid "49  " and name "HG1 ")
 )
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 ASSI (
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
 )(
     (segid "    " and resid "53  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9515 weight  0.10000E+01 volume -0.97000E-01 ppm1      1.690 ppm2      2.861
 ASSI (
     (segid "    " and resid "57  " and name "HB3 ")
  OR 
     (segid "    " and resid "57  " and name "HB2 ")
  OR 
     (segid "    " and resid "57  " and name "HB1 ")
 )(
     (segid "    " and resid "23  " and name "HB  ")
 )
      5.000     5.000     0.000 peak 10172 weight  0.10000E+01 volume -0.13390E+01 ppm1      1.444 ppm2      1.960
 ASSI (
     (segid "    " and resid "57  " and name "HB3 ")
  OR 
     (segid "    " and resid "57  " and name "HB2 ")
  OR 
     (segid "    " and resid "57  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HA  ")
  OR 
     (segid "    " and resid "23  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9516 weight  0.10000E+01 volume -0.49400E+00 ppm1      1.447 ppm2      3.396
 ASSI (
     (segid "    " and resid "50  " and name "HG23")
  OR 
     (segid "    " and resid "50  " and name "HG22")
  OR 
     (segid "    " and resid "50  " and name "HG21")
 )(
     (segid "    " and resid "41  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9517 weight  0.10000E+01 volume -0.13900E+00 ppm1      0.926 ppm2      2.821
 ASSI (
     (segid "    " and resid "50  " and name "HG23")
  OR 
     (segid "    " and resid "50  " and name "HG22")
  OR 
     (segid "    " and resid "50  " and name "HG21")
 )(
     (segid "    " and resid "41  " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9519 weight  0.10000E+01 volume -0.22800E+00 ppm1      0.914 ppm2      4.526
 ASSI (
     (segid "    " and resid "104 " and name "HB3 ")
  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
 )(
     (segid "    " and resid "78  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9520 weight  0.10000E+01 volume -0.25800E+00 ppm1      1.326 ppm2      4.448
 ASSI (
     (segid "    " and resid "104 " and name "HB3 ")
  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
 )(
     (segid "    " and resid "102 " and name "HA  ")
  OR 
     (segid "    " and resid "81  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9521 weight  0.10000E+01 volume -0.37300E+00 ppm1      1.326 ppm2      3.888
 ASSI (
     (segid "    " and resid "116 " and name "HB3 ")
  OR 
     (segid "    " and resid "116 " and name "HB2 ")
  OR 
     (segid "    " and resid "116 " and name "HB1 ")
  OR 
     (segid "    " and resid "84  " and name "HB3 ")
  OR 
     (segid "    " and resid "84  " and name "HB2 ")
  OR 
     (segid "    " and resid "84  " and name "HB1 ")
 )(
     (segid "    " and resid "132 " and name "HB2 ")
  OR 
     (segid "    " and resid "132 " and name "HB1 ")
  OR 
     (segid "    " and resid "120 " and name "HA2 ")
  OR 
     (segid "    " and resid "117 " and name "HA  ")
  OR 
     (segid "    " and resid "114 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9522 weight  0.10000E+01 volume -0.30200E+00 ppm1      1.486 ppm2      3.527
 ASSI (
     (segid "    " and resid "102 " and name "HG13")
  OR 
     (segid "    " and resid "102 " and name "HG12")
  OR 
     (segid "    " and resid "102 " and name "HG11")
 )(
     (segid "    " and resid "131 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9523 weight  0.10000E+01 volume -0.16060E+01 ppm1      0.863 ppm2      1.486
 ASSI (
     (segid "    " and resid "102 " and name "HG13")
  OR 
     (segid "    " and resid "102 " and name "HG12")
  OR 
     (segid "    " and resid "102 " and name "HG11")
 )(
     (segid "    " and resid "105 " and name "HG  ")
  OR 
     (segid "    " and resid "93  " and name "HB2 ")
  OR 
     (segid "    " and resid "92  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  9524 weight  0.10000E+01 volume -0.31700E+00 ppm1      0.857 ppm2      1.645
 ASSI (
     (segid "    " and resid "102 " and name "HG13")
  OR 
     (segid "    " and resid "102 " and name "HG12")
  OR 
     (segid "    " and resid "102 " and name "HG11")
 )(
     (segid "    " and resid "131 " and name "HA  ")
  OR 
     (segid "    " and resid "98  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9525 weight  0.10000E+01 volume -0.35700E+00 ppm1      0.872 ppm2      4.555
 ASSI (
     (segid "    " and resid "23  " and name "HG23")
  OR 
     (segid "    " and resid "23  " and name "HG22")
  OR 
     (segid "    " and resid "23  " and name "HG21")
 )(
     (segid "    " and resid "57  " and name "HB3 ")
  OR 
     (segid "    " and resid "57  " and name "HB2 ")
  OR 
     (segid "    " and resid "57  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  9526 weight  0.10000E+01 volume -0.31810E+01 ppm1      0.913 ppm2      1.446
 ASSI (
     (segid "    " and resid "100 " and name "HB3 ")
  OR 
     (segid "    " and resid "100 " and name "HB2 ")
  OR 
     (segid "    " and resid "100 " and name "HB1 ")
  OR 
     (segid "    " and resid "67  " and name "HB3 ")
  OR 
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
 )(
     (segid "    " and resid "78  " and name "HB1 ")
  OR 
     (segid "    " and resid "69  " and name "HA  ")
  OR 
     (segid "    " and resid "66  " and name "HA1 ")
 )
      5.000     5.000     0.000 peak  9527 weight  0.10000E+01 volume -0.63400E+00 ppm1      1.127 ppm2      4.411
 ASSI (
     (segid "    " and resid "8   " and name "HG23")
  OR 
     (segid "    " and resid "8   " and name "HG22")
  OR 
     (segid "    " and resid "8   " and name "HG21")
 )(
     (segid "    " and resid "42  " and name "HD2 ")
  OR 
     (segid "    " and resid "42  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9528 weight  0.10000E+01 volume -0.27500E+00 ppm1      0.952 ppm2      2.927
 ASSI (
     (segid "    " and resid "8   " and name "HG13")
  OR 
     (segid "    " and resid "8   " and name "HG12")
  OR 
     (segid "    " and resid "8   " and name "HG11")
 )(
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9529 weight  0.10000E+01 volume -0.50800E+00 ppm1      0.979 ppm2      3.167
 ASSI (
     (segid "    " and resid "8   " and name "HG13")
  OR 
     (segid "    " and resid "8   " and name "HG12")
  OR 
     (segid "    " and resid "8   " and name "HG11")
 )(
     (segid "    " and resid "12  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9530 weight  0.10000E+01 volume -0.53300E+00 ppm1      0.972 ppm2      3.007
 ASSI (
     (segid "    " and resid "108 " and name "HG23")
  OR 
     (segid "    " and resid "108 " and name "HG22")
  OR 
     (segid "    " and resid "108 " and name "HG21")
  OR 
     (segid "    " and resid "10  " and name "HG12")
  OR 
     (segid "    " and resid "10  " and name "HG11")
 )(
     (segid "    " and resid "110 " and name "HB1 ")
  OR 
     (segid "    " and resid "110 " and name "HA  ")
  OR 
     (segid "    " and resid "107 " and name "HB2 ")
  OR 
     (segid "    " and resid "107 " and name "HB1 ")
  OR 
     (segid "    " and resid "39  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10262 weight  0.10000E+01 volume -0.79500E+00 ppm1      1.150 ppm2      4.045
 ASSI (
     (segid "    " and resid "108 " and name "HG23")
  OR 
     (segid "    " and resid "108 " and name "HG22")
  OR 
     (segid "    " and resid "108 " and name "HG21")
 )(
     (segid "    " and resid "108 " and name "HB  ")
 )
      2.700     2.700     0.000 peak  9531 weight  0.10000E+01 volume -0.46510E+01 ppm1      1.152 ppm2      4.557
 ASSI (
     (segid "    " and resid "10  " and name "HG13")
  OR 
     (segid "    " and resid "10  " and name "HG12")
  OR 
     (segid "    " and resid "10  " and name "HG11")
 )(
     (segid "    " and resid "36  " and name "HB1 ")
  OR 
     (segid "    " and resid "13  " and name "HD2 ")
  OR 
     (segid "    " and resid "9   " and name "HB2 ")
  OR 
     (segid "    " and resid "9   " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9532 weight  0.10000E+01 volume -0.43000E+00 ppm1      1.131 ppm2      3.170
 ASSI (
     (segid "    " and resid "128 " and name "HD23")
  OR 
     (segid "    " and resid "128 " and name "HD22")
  OR 
     (segid "    " and resid "128 " and name "HD21")
  OR 
     (segid "    " and resid "80  " and name "HG23")
  OR 
     (segid "    " and resid "80  " and name "HG22")
  OR 
     (segid "    " and resid "80  " and name "HG21")
  OR 
     (segid "    " and resid "50  " and name "HG13")
  OR 
     (segid "    " and resid "50  " and name "HG11")
 )(
     (segid "    " and resid "127 " and name "HZ  ")
  OR 
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak 10267 weight  0.10000E+01 volume -0.32100E+00 ppm1      0.872 ppm2      7.331
 ASSI (
     (segid "    " and resid "115 " and name "HD23")
  OR 
     (segid "    " and resid "115 " and name "HD22")
  OR 
     (segid "    " and resid "115 " and name "HD21")
 )(
     (segid "    " and resid "105 " and name "HD23")
  OR 
     (segid "    " and resid "105 " and name "HD22")
  OR 
     (segid "    " and resid "105 " and name "HD21")
 )
      5.000     5.000     0.000 peak  9533 weight  0.10000E+01 volume -0.46900E+00 ppm1      0.960 ppm2      0.377
 ASSI (
     (segid "    " and resid "86  " and name "HG23")
  OR 
     (segid "    " and resid "86  " and name "HG22")
  OR 
     (segid "    " and resid "86  " and name "HG21")
 )(
     (segid "    " and resid "88  " and name "HB2 ")
  OR 
     (segid "    " and resid "52  " and name "HG2 ")
  OR 
     (segid "    " and resid "52  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10275 weight  0.10000E+01 volume -0.16100E+00 ppm1      1.326 ppm2      2.527
 ASSI (
     (segid "    " and resid "86  " and name "HG23")
  OR 
     (segid "    " and resid "86  " and name "HG22")
  OR 
     (segid "    " and resid "86  " and name "HG21")
 )(
     (segid "    " and resid "88  " and name "HB1 ")
  OR 
     (segid "    " and resid "85  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak 10277 weight  0.10000E+01 volume -0.14600E+00 ppm1      1.326 ppm2      3.461
 ASSI (
     (segid "    " and resid "128 " and name "HD23")
  OR 
     (segid "    " and resid "128 " and name "HD22")
  OR 
     (segid "    " and resid "128 " and name "HD21")
 )(
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  9534 weight  0.10000E+01 volume -0.11470E+01 ppm1      0.899 ppm2      7.117
 ASSI (
     (segid "    " and resid "86  " and name "HG23")
  OR 
     (segid "    " and resid "86  " and name "HG22")
  OR 
     (segid "    " and resid "86  " and name "HG21")
 )(
     (segid "    " and resid "85  " and name "HB2 ")
  OR 
     (segid "    " and resid "85  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9535 weight  0.10000E+01 volume -0.63100E+00 ppm1      1.330 ppm2      2.069
 ASSI (
     (segid "    " and resid "86  " and name "HG23")
  OR 
     (segid "    " and resid "86  " and name "HG22")
  OR 
     (segid "    " and resid "86  " and name "HG21")
 )(
     (segid "    " and resid "85  " and name "HD2 ")
  OR 
     (segid "    " and resid "54  " and name "HA1 ")
 )
      6.000     6.000     0.000 peak 10282 weight  0.10000E+01 volume -0.14300E+00 ppm1      1.331 ppm2      3.221
 ASSI (
     (segid "    " and resid "46  " and name "HG23")
  OR 
     (segid "    " and resid "46  " and name "HG22")
  OR 
     (segid "    " and resid "46  " and name "HG21")
 )(
     (segid "    " and resid "40  " and name "HD23")
  OR 
     (segid "    " and resid "40  " and name "HD22")
  OR 
     (segid "    " and resid "40  " and name "HD21")
 )
      3.300     3.300     0.000 peak 10306 weight  0.10000E+01 volume -0.36280E+01 ppm1      1.193 ppm2      0.659
 ASSI (
     (segid "    " and resid "94  " and name "HG13")
  OR 
     (segid "    " and resid "94  " and name "HG12")
  OR 
     (segid "    " and resid "94  " and name "HG11")
  OR 
     (segid "    " and resid "46  " and name "HG23")
 )(
     (segid "    " and resid "71  " and name "HB  ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
  OR 
     (segid "    " and resid "56  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak  9536 weight  0.10000E+01 volume -0.21710E+01 ppm1      1.193 ppm2      2.047
 ASSI (
     (segid "    " and resid "134 " and name "HD23")
  OR 
     (segid "    " and resid "134 " and name "HD22")
  OR 
     (segid "    " and resid "134 " and name "HD21")
 )(
     (segid "    " and resid "164 " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  9537 weight  0.10000E+01 volume -0.27500E+00 ppm1      0.686 ppm2      2.701
 ASSI (
     (segid "    " and resid "77  " and name "HG23")
  OR 
     (segid "    " and resid "77  " and name "HG22")
  OR 
     (segid "    " and resid "77  " and name "HG21")
 )(
     (segid "    " and resid "82  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9538 weight  0.10000E+01 volume -0.48600E+00 ppm1      1.246 ppm2      4.448
 ASSI (
     (segid "    " and resid "134 " and name "HD23")
  OR 
     (segid "    " and resid "134 " and name "HD22")
  OR 
     (segid "    " and resid "134 " and name "HD21")
 )(
     (segid "    " and resid "132 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9539 weight  0.10000E+01 volume -0.15400E+00 ppm1      0.686 ppm2      5.116
 ASSI (
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD22")
  OR 
     (segid "    " and resid "30  " and name "HD21")
 )(
     (segid "    " and resid "65  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9540 weight  0.10000E+01 volume -0.10370E+01 ppm1      0.763 ppm2      2.566
 ASSI (
     (segid "    " and resid "29  " and name "HD23")
  OR 
     (segid "    " and resid "29  " and name "HD22")
  OR 
     (segid "    " and resid "29  " and name "HD21")
 )(
     (segid "    " and resid "13  " and name "HD2 ")
  OR 
     (segid "    " and resid "13  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  9541 weight  0.10000E+01 volume -0.73500E+00 ppm1      0.761 ppm2      3.177
 ASSI (
     (segid "    " and resid "147 " and name "HD23")
  OR 
     (segid "    " and resid "147 " and name "HD22")
  OR 
     (segid "    " and resid "147 " and name "HD21")
 )(
     (segid "    " and resid "150 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9542 weight  0.10000E+01 volume -0.59500E+00 ppm1      1.032 ppm2      2.554
 ASSI (
     (segid "    " and resid "147 " and name "HD23")
  OR 
     (segid "    " and resid "147 " and name "HD22")
  OR 
     (segid "    " and resid "147 " and name "HD21")
 )(
     (segid "    " and resid "151 " and name "HD1 ")
  OR 
     (segid "    " and resid "118 " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  9543 weight  0.10000E+01 volume -0.89500E+00 ppm1      1.039 ppm2      3.284
 ASSI (
     (segid "    " and resid "142 " and name "HD23")
  OR 
     (segid "    " and resid "142 " and name "HD22")
  OR 
     (segid "    " and resid "142 " and name "HD21")
 )(
     (segid "    " and resid "150 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10324 weight  0.10000E+01 volume -0.58900E+00 ppm1      0.746 ppm2      2.551
 ASSI (
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )(
     (segid "    " and resid "123 " and name "HB2 ")
  OR 
     (segid "    " and resid "123 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9544 weight  0.10000E+01 volume -0.55800E+00 ppm1      0.605 ppm2      4.006
 ASSI (
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )(
     (segid "    " and resid "93  " and name "HE1 ")
 )
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 ASSI (
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )(
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  9546 weight  0.10000E+01 volume -0.13700E+01 ppm1      0.605 ppm2      1.443
 ASSI (
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )(
     (segid "    " and resid "93  " and name "HE2 ")
 )
      5.000     5.000     0.000 peak  9547 weight  0.10000E+01 volume -0.46400E+00 ppm1      0.605 ppm2      2.589
 ASSI (
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )(
     (segid "    " and resid "93  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9548 weight  0.10000E+01 volume -0.74900E+00 ppm1      0.605 ppm2      1.650
 ASSI (
     (segid "    " and resid "160 " and name "HD23")
  OR 
     (segid "    " and resid "160 " and name "HD22")
  OR 
     (segid "    " and resid "160 " and name "HD21")
 )(
     (segid "    " and resid "159 " and name "HA  ")
  OR 
     (segid "    " and resid "157 " and name "HA  ")
  OR 
     (segid "    " and resid "148 " and name "HA  ")
  OR 
     (segid "    " and resid "129 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9549 weight  0.10000E+01 volume -0.14110E+01 ppm1      0.755 ppm2      3.750
 ASSI (
     (segid "    " and resid "160 " and name "HD23")
  OR 
     (segid "    " and resid "160 " and name "HD22")
  OR 
     (segid "    " and resid "160 " and name "HD21")
 )(
     (segid "    " and resid "163 " and name "HD2 ")
  OR 
     (segid "    " and resid "114 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  9550 weight  0.10000E+01 volume -0.85000E-01 ppm1      0.752 ppm2      7.001
 ASSI (
     (segid "    " and resid "96  " and name "HG23")
  OR 
     (segid "    " and resid "96  " and name "HG22")
  OR 
     (segid "    " and resid "96  " and name "HG21")
 )(
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )
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 ASSI (
     (segid "    " and resid "96  " and name "HG23")
  OR 
     (segid "    " and resid "96  " and name "HG22")
  OR 
     (segid "    " and resid "96  " and name "HG21")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )(
     (segid "    " and resid "127 " and name "HZ  ")
  OR 
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )
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 ASSI (
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )(
     (segid "    " and resid "88  " and name "HB1 ")
 )
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 ASSI (
     (segid "    " and resid "96  " and name "HG21")
  OR 
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )(
     (segid "    " and resid "92  " and name "HA  ")
  OR 
     (segid "    " and resid "53  " and name "HA  ")
 )
      3.300     3.300     0.000 peak  9554 weight  0.10000E+01 volume -0.21610E+01 ppm1      1.132 ppm2      3.890
 ASSI (
     (segid "    " and resid "96  " and name "HG23")
  OR 
     (segid "    " and resid "96  " and name "HG22")
  OR 
     (segid "    " and resid "96  " and name "HG21")
  OR 
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
 )(
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  OR 
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  OR 
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      3.300     3.300     0.000 peak  9555 weight  0.10000E+01 volume -0.21050E+01 ppm1      1.139 ppm2      7.197
 ASSI (
     (segid "    " and resid "111 " and name "HD23")
  OR 
     (segid "    " and resid "111 " and name "HD22")
  OR 
     (segid "    " and resid "111 " and name "HD21")
 )(
     (segid "    " and resid "103 " and name "HA  ")
 )
      3.300     3.300     0.000 peak 10904 weight  0.10000E+01 volume -0.29290E+01 ppm1      0.966 ppm2      5.347
 ASSI (
     (segid "    " and resid "111 " and name "HD23")
  OR 
     (segid "    " and resid "111 " and name "HD22")
  OR 
     (segid "    " and resid "111 " and name "HD21")
  OR 
     (segid "    " and resid "60  " and name "HD23")
  OR 
     (segid "    " and resid "60  " and name "HD22")
  OR 
     (segid "    " and resid "60  " and name "HD21")
 )(
     (segid "    " and resid "133 " and name "HB1 ")
  OR 
     (segid "    " and resid "103 " and name "HB1 ")
  OR 
     (segid "    " and resid "64  " and name "HE2 ")
  OR 
     (segid "    " and resid "64  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  9556 weight  0.10000E+01 volume -0.18020E+01 ppm1      0.970 ppm2      2.965
 ASSI (
     (segid "    " and resid "111 " and name "HD23")
  OR 
     (segid "    " and resid "111 " and name "HD22")
  OR 
     (segid "    " and resid "111 " and name "HD21")
 )(
     (segid "    " and resid "105 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9557 weight  0.10000E+01 volume -0.34400E+00 ppm1      0.962 ppm2      4.929
 ASSI (
     (segid "    " and resid "111 " and name "HD23")
  OR 
     (segid "    " and resid "111 " and name "HD22")
  OR 
     (segid "    " and resid "111 " and name "HD21")
  OR 
     (segid "    " and resid "60  " and name "HD23")
  OR 
     (segid "    " and resid "60  " and name "HD22")
  OR 
     (segid "    " and resid "60  " and name "HD21")
  OR 
     (segid "    " and resid "58  " and name "HG22")
 )(
     (segid "    " and resid "114 " and name "HD2 ")
  OR 
     (segid "    " and resid "31  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak 10354 weight  0.10000E+01 volume -0.87000E-01 ppm1      0.952 ppm2      6.984
 ASSI (
     (segid "    " and resid "105 " and name "HD23")
  OR 
     (segid "    " and resid "105 " and name "HD22")
  OR 
     (segid "    " and resid "105 " and name "HD21")
 )(
     (segid "    " and resid "112 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  9559 weight  0.10000E+01 volume -0.88000E-01 ppm1      0.394 ppm2      3.966
 ASSI (
     (segid "    " and resid "145 " and name "HD23")
  OR 
     (segid "    " and resid "145 " and name "HD22")
  OR 
     (segid "    " and resid "145 " and name "HD21")
 )(
     (segid "    " and resid "161 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9560 weight  0.10000E+01 volume -0.14510E+01 ppm1      1.006 ppm2      2.527
 ASSI (
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
 )(
     (segid "    " and resid "44  " and name "HA1 ")
 )
      5.000     5.000     0.000 peak  9561 weight  0.10000E+01 volume -0.90900E+00 ppm1      0.899 ppm2      4.208
 ASSI (
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
 )(
     (segid "    " and resid "93  " and name "HE2 ")
 )
      5.000     5.000     0.000 peak  9562 weight  0.10000E+01 volume -0.73800E+00 ppm1      0.824 ppm2      2.592
 ASSI (
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
 )(
     (segid "    " and resid "127 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9563 weight  0.10000E+01 volume -0.31400E+00 ppm1      0.819 ppm2      2.927
 ASSI (
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
 )(
     (segid "    " and resid "127 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9564 weight  0.10000E+01 volume -0.36500E+00 ppm1      0.819 ppm2      3.408
 ASSI (
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
 )(
     (segid "    " and resid "127 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9565 weight  0.10000E+01 volume -0.32600E+00 ppm1      0.840 ppm2      2.944
 ASSI (
     (segid "    " and resid "30  " and name "HG  ")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9566 weight  0.10000E+01 volume -0.41000E+00 ppm1      1.967 ppm2      4.224
 ASSI (
     (segid "    " and resid "69  " and name "HG1 ")
 )(
     (segid "    " and resid "100 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9567 weight  0.10000E+01 volume -0.37900E+00 ppm1      2.127 ppm2      4.227
 ASSI (
     (segid "    " and resid "69  " and name "HG2 ")
 )(
     (segid "    " and resid "100 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9568 weight  0.10000E+01 volume -0.48100E+00 ppm1      1.839 ppm2      4.229
 ASSI (
     (segid "    " and resid "69  " and name "HG1 ")
 )(
     (segid "    " and resid "68  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9569 weight  0.10000E+01 volume -0.23000E+00 ppm1      2.127 ppm2      4.769
 ASSI (
     (segid "    " and resid "128 " and name "HD13")
  OR 
     (segid "    " and resid "128 " and name "HD12")
  OR 
     (segid "    " and resid "128 " and name "HD11")
 )(
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9570 weight  0.10000E+01 volume -0.17300E+00 ppm1      0.712 ppm2      7.144
 ASSI (
     (segid "    " and resid "128 " and name "HD13")
  OR 
     (segid "    " and resid "128 " and name "HD12")
  OR 
     (segid "    " and resid "128 " and name "HD11")
 )(
     (segid "    " and resid "127 " and name "HB1 ")
  OR 
     (segid "    " and resid "125 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9571 weight  0.