*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 
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  OR 
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 ASSI (
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  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "64  " and name "HE1 ")
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 ASSI (
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  OR 
     (segid "    " and resid "111 " and name "HD22")
  OR 
     (segid "    " and resid "111 " and name "HD21")
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 ASSI (
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  OR 
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  OR 
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  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "105 " and name "HD22")
  OR 
     (segid "    " and resid "105 " and name "HD21")
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 ASSI (
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  OR 
     (segid "    " and resid "145 " and name "HD22")
  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "40  " and name "HD12")
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 ASSI (
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
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 ASSI (
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
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 ASSI (
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
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 ASSI (
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
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 ASSI (
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 )(
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      5.000     5.000     0.000 peak  9566 weight  0.10000E+01 volume -0.41000E+00 ppm1      1.967 ppm2      4.224
 ASSI (
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 )(
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      5.000     5.000     0.000 peak  9567 weight  0.10000E+01 volume -0.37900E+00 ppm1      2.127 ppm2      4.227
 ASSI (
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 )(
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      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  ")
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      6.000     6.000     0.000 peak  9569 weight  0.10000E+01 volume -0.23000E+00 ppm1      2.127 ppm2      4.769
 ASSI (
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  OR 
     (segid "    " and resid "128 " and name "HD12")
  OR 
     (segid "    " and resid "128 " and name "HD11")
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  OR 
     (segid "    " and resid "127 " and name "HD1 ")
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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 "125 " and name "HA  ")
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 ASSI (
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  OR 
     (segid "    " and resid "128 " and name "HD12")
  OR 
     (segid "    " and resid "128 " and name "HD11")
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  OR 
     (segid "    " and resid "132 " and name "HB1 ")
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 ASSI (
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  OR 
     (segid "    " and resid "145 " and name "HD12")
  OR 
     (segid "    " and resid "145 " and name "HD11")
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      5.000     5.000     0.000 peak  9573 weight  0.10000E+01 volume -0.59900E+00 ppm1      0.952 ppm2      2.539
 ASSI (
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 )(
     (segid "    " and resid "140 " and name "HB2 ")
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      6.000     6.000     0.000 peak  9574 weight  0.10000E+01 volume -0.21000E+00 ppm1      1.513 ppm2      3.913
 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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     (segid "    " and resid "105 " and name "HD22")
  OR 
     (segid "    " and resid "105 " and name "HD21")
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      6.000     6.000     0.000 peak  9575 weight  0.10000E+01 volume -0.29600E+00 ppm1      0.704 ppm2      0.363
 ASSI (
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  OR 
     (segid "    " and resid "95  " and name "HD11")
 )(
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 ASSI (
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  OR 
     (segid "    " and resid "134 " and name "HD12")
  OR 
     (segid "    " and resid "134 " and name "HD11")
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 ASSI (
     (segid "    " and resid "134 " and name "HD13")
  OR 
     (segid "    " and resid "134 " and name "HD12")
  OR 
     (segid "    " and resid "134 " and name "HD11")
 )(
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      5.000     5.000     0.000 peak  9578 weight  0.10000E+01 volume -0.46000E+00 ppm1      0.926 ppm2      3.274
 ASSI (
     (segid "    " and resid "134 " and name "HD13")
  OR 
     (segid "    " and resid "134 " and name "HD12")
  OR 
     (segid "    " and resid "134 " and name "HD11")
 )(
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  OR 
     (segid "    " and resid "130 " and name "HD1 ")
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      5.000     5.000     0.000 peak  9579 weight  0.10000E+01 volume -0.35200E+00 ppm1      0.926 ppm2      3.514
 ASSI (
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  OR 
     (segid "    " and resid "142 " and name "HD12")
  OR 
     (segid "    " and resid "142 " and name "HD11")
 )(
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 ASSI (
     (segid "    " and resid "29  " and name "HD13")
  OR 
     (segid "    " and resid "29  " and name "HD12")
  OR 
     (segid "    " and resid "29  " and name "HD11")
 )(
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      5.000     5.000     0.000 peak  9580 weight  0.10000E+01 volume -0.18110E+01 ppm1      0.771 ppm2      4.078
 ASSI (
     (segid "    " and resid "29  " and name "HD13")
  OR 
     (segid "    " and resid "29  " and name "HD12")
  OR 
     (segid "    " and resid "29  " and name "HD11")
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  OR 
     (segid "    " and resid "13  " and name "HD1 ")
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 ASSI (
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 )(
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  OR 
     (segid "    " and resid "127 " and name "HE1 ")
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      5.000     5.000     0.000 peak  9582 weight  0.10000E+01 volume -0.35600E+00 ppm1      1.620 ppm2      7.197
 ASSI (
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  OR 
     (segid "    " and resid "60  " and name "HG  ")
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     (segid "    " and resid "64  " and name "HA  ")
  OR 
     (segid "    " and resid "57  " and name "HA  ")
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      5.000     5.000     0.000 peak  9583 weight  0.10000E+01 volume -0.11150E+01 ppm1      1.532 ppm2      4.088
 ASSI (
     (segid "    " and resid "63  " and name "HD13")
  OR 
     (segid "    " and resid "63  " and name "HD12")
  OR 
     (segid "    " and resid "63  " and name "HD11")
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  OR 
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  OR 
     (segid "    " and resid "59  " and name "HB1 ")
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      5.000     5.000     0.000 peak  9584 weight  0.10000E+01 volume -0.17620E+01 ppm1      0.658 ppm2      1.310
 ASSI (
     (segid "    " and resid "63  " and name "HD13")
  OR 
     (segid "    " and resid "63  " and name "HD12")
  OR 
     (segid "    " and resid "63  " and name "HD11")
 )(
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 ASSI (
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  OR 
     (segid "    " and resid "63  " and name "HG  ")
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "59  " and name "HA  ")
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      5.000     5.000     0.000 peak  9586 weight  0.10000E+01 volume -0.12330E+01 ppm1      1.620 ppm2      3.728
 ASSI (
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 )(
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  OR 
     (segid "    " and resid "127 " and name "HE1 ")
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 ASSI (
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  OR 
     (segid "    " and resid "63  " and name "HD12")
  OR 
     (segid "    " and resid "63  " and name "HD11")
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 ASSI (
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 )(
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      5.000     5.000     0.000 peak  9589 weight  0.10000E+01 volume -0.73300E+00 ppm1      1.396 ppm2      4.016
 ASSI (
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  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
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  OR 
     (segid "    " and resid "132 " and name "HB1 ")
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 ASSI (
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  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
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 ASSI (
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  OR 
     (segid "    " and resid "30  " and name "HD12")
  OR 
     (segid "    " and resid "30  " and name "HD11")
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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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 ASSI (
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  OR 
     (segid "    " and resid "30  " and name "HD12")
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     (segid "    " and resid "61  " and name "HG1 ")
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 ASSI (
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  OR 
     (segid "    " and resid "30  " and name "HD12")
  OR 
     (segid "    " and resid "30  " and name "HD11")
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 ASSI (
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  OR 
     (segid "    " and resid "48  " and name "HD11")
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 ASSI (
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  OR 
     (segid "    " and resid "48  " and name "HD12")
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 ASSI (
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     (segid "    " and resid "23  " and name "HG11")
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      5.000     5.000     0.000 peak  9598 weight  0.10000E+01 volume -0.40300E+00 ppm1      2.235 ppm2      0.916
 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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     (segid "    " and resid "147 " and name "HD11")
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     (segid "    " and resid "114 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9602 weight  0.10000E+01 volume -0.61200E+00 ppm1      1.193 ppm2      3.514
 ASSI (
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
 )(
     (segid "    " and resid "114 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9603 weight  0.10000E+01 volume -0.12090E+01 ppm1      1.193 ppm2      3.675
 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 "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  9604 weight  0.10000E+01 volume -0.10220E+01 ppm1      0.952 ppm2      7.117
 ASSI (
     (segid "    " and resid "144 " and name "HG2 ")
 )(
     (segid "    " and resid "144 " and name "HG1 ")
  OR 
     (segid "    " and resid "134 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9605 weight  0.10000E+01 volume -0.25700E+00 ppm1      0.547 ppm2      1.678
 ASSI (
     (segid "    " and resid "144 " and name "HG2 ")
 )(
     (segid "    " and resid "144 " and name "HD2 ")
  OR 
     (segid "    " and resid "144 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9606 weight  0.10000E+01 volume -0.14500E+00 ppm1      0.535 ppm2      3.714
 ASSI (
     (segid "    " and resid "159 " and name "HG12")
  OR 
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
 )(
     (segid "    " and resid "160 " and name "HD13")
  OR 
     (segid "    " and resid "160 " and name "HD12")
  OR 
     (segid "    " and resid "160 " and name "HD11")
  OR 
     (segid "    " and resid "134 " and name "HD22")
  OR 
     (segid "    " and resid "134 " and name "HD21")
 )
      5.000     5.000     0.000 peak 10549 weight  0.10000E+01 volume -0.60200E+00 ppm1      1.176 ppm2      0.659
 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 "HB2 ")
 )
      6.000     6.000     0.000 peak  9607 weight  0.10000E+01 volume -0.14400E+00 ppm1      0.952 ppm2      2.951
 ASSI (
     (segid "    " and resid "112 " and name "HG2 ")
 )(
     (segid "    " and resid "112 " and name "HD2 ")
 )
      5.000     5.000     0.000 peak 12979 weight  0.10000E+01 volume -0.30700E+00 ppm1      0.855 ppm2      3.969
 ASSI (
     (segid "    " and resid "159 " and name "HG11")
 )(
     (segid "    " and resid "126 " and name "HB2 ")
  OR 
     (segid "    " and resid "126 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9608 weight  0.10000E+01 volume -0.57100E+00 ppm1      1.913 ppm2      3.888
 ASSI (
     (segid "    " and resid "159 " and name "HG11")
  OR 
     (segid "    " and resid "118 " and name "HG1 ")
  OR 
     (segid "    " and resid "42  " and name "HB1 ")
 )(
     (segid "    " and resid "162 " and name "HA1 ")
  OR 
     (segid "    " and resid "152 " and name "HA1 ")
  OR 
     (segid "    " and resid "126 " and name "HA  ")
  OR 
     (segid "    " and resid "123 " and name "HB1 ")
  OR 
     (segid "    " and resid "120 " and name "HA1 ")
  OR 
     (segid "    " and resid "114 " and name "HA  ")
  OR 
     (segid "    " and resid "39  " and name "HA  ")
  OR 
     (segid "    " and resid "15  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9609 weight  0.10000E+01 volume -0.72600E+00 ppm1      1.940 ppm2      4.012
 ASSI (
     (segid "    " and resid "150 " and name "HB1 ")
 )(
     (segid "    " and resid "147 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9610 weight  0.10000E+01 volume -0.55100E+00 ppm1      2.410 ppm2      4.206
 ASSI (
     (segid "    " and resid "150 " and name "HB2 ")
 )(
     (segid "    " and resid "147 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9611 weight  0.10000E+01 volume -0.76400E+00 ppm1      2.233 ppm2      4.208
 ASSI (
     (segid "    " and resid "33  " and name "HB2 ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9612 weight  0.10000E+01 volume -0.52100E+00 ppm1      2.322 ppm2      3.889
 ASSI (
     (segid "    " and resid "61  " 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  9613 weight  0.10000E+01 volume -0.46700E+00 ppm1      1.954 ppm2      3.413
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
  OR 
     (segid "    " and resid "64  " and name "HD1 ")
 )(
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9614 weight  0.10000E+01 volume -0.37900E+00 ppm1      1.692 ppm2      3.875
 ASSI (
     (segid "    " and resid "121 " and name "HB1 ")
 )(
     (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 ")
 )
      6.000     6.000     0.000 peak  9615 weight  0.10000E+01 volume -0.21000E+00 ppm1      3.141 ppm2      1.486
 ASSI (
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )(
     (segid "    " and resid "90  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9616 weight  0.10000E+01 volume -0.86400E+00 ppm1      1.453 ppm2      4.251
 ASSI (
     (segid "    " and resid "146 " and name "HB2 ")
  OR 
     (segid "    " and resid "146 " and name "HB1 ")
 )(
     (segid "    " and resid "142 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9617 weight  0.10000E+01 volume -0.18600E+00 ppm1      2.127 ppm2      4.955
 ASSI (
     (segid "    " and resid "146 " and name "HB2 ")
  OR 
     (segid "    " and resid "146 " and name "HB1 ")
 )(
     (segid "    " and resid "142 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9619 weight  0.10000E+01 volume -0.11040E+01 ppm1      2.143 ppm2      1.355
 ASSI (
     (segid "    " and resid "119 " and name "HB2 ")
 )(
     (segid "    " and resid "121 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  9620 weight  0.10000E+01 volume -0.29800E+00 ppm1      1.553 ppm2      7.250
 ASSI (
     (segid "    " and resid "119 " and name "HB1 ")
 )(
     (segid "    " and resid "121 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  9622 weight  0.10000E+01 volume -0.19000E+00 ppm1      2.056 ppm2      7.252
 ASSI (
     (segid "    " and resid "51  " and name "HG2 ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9623 weight  0.10000E+01 volume -0.29200E+00 ppm1      1.180 ppm2      3.778
 ASSI (
     (segid "    " and resid "121 " and name "HB2 ")
 )(
     (segid "    " and resid "116 " and name "HB3 ")
  OR 
     (segid "    " and resid "116 " and name "HB2 ")
  OR 
     (segid "    " and resid "116 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9624 weight  0.10000E+01 volume -0.27300E+00 ppm1      3.022 ppm2      1.487
 ASSI (
     (segid "    " and resid "51  " and name "HG1 ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9625 weight  0.10000E+01 volume -0.31300E+00 ppm1      2.327 ppm2      3.788
 ASSI (
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )(
     (segid "    " and resid "28  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak 10685 weight  0.10000E+01 volume -0.10940E+01 ppm1      1.967 ppm2      3.037
 ASSI (
     (segid "    " and resid "130 " and name "HB1 ")
  OR 
     (segid "    " and resid "125 " and name "HB  ")
  OR 
     (segid "    " and resid "10  " and name "HB  ")
 )(
     (segid "    " and resid "129 " and name "HA  ")
  OR 
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "35  " and name "HA  ")
  OR 
     (segid "    " and resid "11  " and name "HA2 ")
 )
      5.000     5.000     0.000 peak  9626 weight  0.10000E+01 volume -0.12130E+01 ppm1      2.252 ppm2      3.780
 ASSI (
     (segid "    " and resid "81  " and name "HB2 ")
 )(
     (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  9627 weight  0.10000E+01 volume -0.10870E+01 ppm1      3.274 ppm2      1.235
 ASSI (
     (segid "    " and resid "114 " 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")
 )
      6.000     6.000     0.000 peak  9628 weight  0.10000E+01 volume -0.14300E+00 ppm1      3.514 ppm2      1.193
 ASSI (
     (segid "    " and resid "36  " and name "HB2 ")
 )(
     (segid "    " and resid "39  " and name "HB3 ")
  OR 
     (segid "    " and resid "39  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9629 weight  0.10000E+01 volume -0.26300E+00 ppm1      2.876 ppm2      1.398
 ASSI (
     (segid "    " and resid "36  " and name "HB1 ")
 )(
     (segid "    " and resid "39  " and name "HB3 ")
  OR 
     (segid "    " and resid "39  " and name "HB2 ")
  OR 
     (segid "    " and resid "39  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9630 weight  0.10000E+01 volume -0.21900E+00 ppm1      3.194 ppm2      1.397
 ASSI (
     (segid "    " and resid "137 " and name "HB2 ")
 )(
     (segid "    " and resid "144 " and name "HD2 ")
  OR 
     (segid "    " and resid "141 " and name "HA2 ")
 )
      6.000     6.000     0.000 peak  9631 weight  0.10000E+01 volume -0.22300E+00 ppm1      1.273 ppm2      3.701
 ASSI (
     (segid "    " and resid "37  " and name "HB2 ")
 )(
     (segid "    " and resid "67  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9632 weight  0.10000E+01 volume -0.11160E+01 ppm1      1.690 ppm2      4.033
 ASSI (
     (segid "    " and resid "69  " and name "HB1 ")
  OR 
     (segid "    " and resid "64  " and name "HB2 ")
 )(
     (segid "    " and resid "99  " and name "HA2 ")
  OR 
     (segid "    " and resid "61  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9633 weight  0.10000E+01 volume -0.87100E+00 ppm1      1.902 ppm2      3.881
 ASSI (
     (segid "    " and resid "136 " and name "HB2 ")
 )(
     (segid "    " and resid "133 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9634 weight  0.10000E+01 volume -0.88000E-01 ppm1      3.034 ppm2      2.537
 ASSI (
     (segid "    " and resid "96  " and name "HB  ")
 )(
     (segid "    " and resid "127 " and name "HE2 ")
  OR 
     (segid "    " and resid "127 " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  9635 weight  0.10000E+01 volume -0.36900E+00 ppm1      2.340 ppm2      7.217
 ASSI (
     (segid "    " and resid "136 " and name "HB1 ")
 )(
     (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  9636 weight  0.10000E+01 volume -0.25800E+00 ppm1      3.285 ppm2      0.935
 ASSI (
     (segid "    " and resid "79  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
 )(
     (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 "95  " and name "HB2 ")
  OR 
     (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  9637 weight  0.10000E+01 volume -0.16610E+01 ppm1      1.947 ppm2      1.137
 ASSI (
     (segid "    " and resid "136 " and name "HB1 ")
 )(
     (segid "    " and resid "133 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9638 weight  0.10000E+01 volume -0.14300E+00 ppm1      3.274 ppm2      2.554
 ASSI (
     (segid "    " and resid "79  " and name "HB2 ")
 )(
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  9639 weight  0.10000E+01 volume -0.93000E-01 ppm1      1.940 ppm2      7.304
 ASSI (
     (segid "    " and resid "79  " and name "HB1 ")
 )(
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  9640 weight  0.10000E+01 volume -0.20200E+00 ppm1      2.440 ppm2      7.319
 ASSI (
     (segid "    " and resid "96  " and name "HB  ")
 )(
     (segid "    " and resid "127 " and name "HZ  ")
 )
      5.000     5.000     0.000 peak  9641 weight  0.10000E+01 volume -0.41100E+00 ppm1      2.340 ppm2      7.331
 ASSI (
     (segid "    " and resid "79  " and name "HB1 ")
 )(
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HE3 ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "48  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  9642 weight  0.10000E+01 volume -0.38100E+00 ppm1      2.447 ppm2      1.714
 ASSI (
     (segid "    " and resid "136 " and name "HB1 ")
 )(
     (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  9643 weight  0.10000E+01 volume -0.53500E+00 ppm1      3.290 ppm2      1.200
 ASSI (
     (segid "    " and resid "164 " and name "HG1 ")
 )(
     (segid "    " and resid "134 " and name "HD23")
  OR 
     (segid "    " and resid "134 " and name "HD22")
  OR 
     (segid "    " and resid "134 " and name "HD21")
 )
      6.000     6.000     0.000 peak  9645 weight  0.10000E+01 volume -0.17400E+00 ppm1      2.701 ppm2      0.712
 ASSI (
     (segid "    " and resid "110 " and name "HA  ")
 )(
     (segid "    " and resid "144 " and name "HD1 ")
  OR 
     (segid "    " and resid "141 " and name "HA1 ")
  OR 
     (segid "    " and resid "112 " and name "HD1 ")
  OR 
     (segid "    " and resid "109 " and name "HA1 ")
 )
      5.000     5.000     0.000 peak  9646 weight  0.10000E+01 volume -0.48800E+00 ppm1      4.119 ppm2      4.325
 ASSI (
     (segid "    " and resid "157 " and name "HB1 ")
 )(
     (segid "    " and resid "148 " and name "HB3 ")
  OR 
     (segid "    " and resid "148 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9647 weight  0.10000E+01 volume  0.34000E+00 ppm1      2.284 ppm2      1.433
 ASSI (
     (segid "    " and resid "110 " and name "HA  ")
  OR 
     (segid "    " and resid "64  " and name "HA  ")
  OR 
     (segid "    " and resid "13  " 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")
  OR 
     (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 "60  " and name "HD13")
  OR 
     (segid "    " and resid "60  " and name "HD12")
  OR 
     (segid "    " and resid "35  " and name "HG23")
  OR 
     (segid "    " and resid "35  " and name "HG21")
  OR 
     (segid "    " and resid "35  " and name "HG13")
  OR 
     (segid "    " and resid "35  " and name "HG11")
 )
      5.000     5.000     0.000 peak  9649 weight  0.10000E+01 volume -0.90500E+00 ppm1      4.110 ppm2      0.959
 ASSI (
     (segid "    " and resid "64  " and name "HA  ")
  OR 
     (segid "    " and resid "13  " and name "HA  ")
 )(
     (segid "    " and resid "67  " and name "HB3 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
  OR 
     (segid "    " and resid "10  " and name "HG22")
  OR 
     (segid "    " and resid "10  " and name "HG21")
  OR 
     (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  9650 weight  0.10000E+01 volume -0.22100E+00 ppm1      4.128 ppm2      1.113
 ASSI (
     (segid "    " and resid "149 " 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  9652 weight  0.10000E+01 volume -0.58800E+00 ppm1      4.333 ppm2      2.345
 ASSI (
     (segid "    " and resid "13  " and name "HA  ")
 )(
     (segid "    " and resid "13  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  9653 weight  0.10000E+01 volume -0.66600E+00 ppm1      4.128 ppm2      3.167
 ASSI (
     (segid "    " and resid "110 " and name "HA  ")
  OR 
     (segid "    " and resid "64  " and name "HA  ")
  OR 
     (segid "    " and resid "13  " and name "HA  ")
 )(
     (segid "    " and resid "140 " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HA  ")
  OR 
     (segid "    " and resid "61  " and name "HA  ")
  OR 
     (segid "    " and resid "10  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9654 weight  0.10000E+01 volume -0.13720E+01 ppm1      4.116 ppm2      3.888
 ASSI (
     (segid "    " and resid "51  " and name "HB2 ")
 )(
     (segid "    " and resid "62  " and name "HD13")
  OR 
     (segid "    " and resid "62  " and name "HD12")
  OR 
     (segid "    " and resid "62  " and name "HD11")
 )
      6.000     6.000     0.000 peak  9655 weight  0.10000E+01 volume  0.86000E-01 ppm1      1.450 ppm2      0.689
 ASSI (
     (segid "    " and resid "157 " and name "HB2 ")
 )(
     (segid "    " and resid "161 " and name "HA  ")
  OR 
     (segid "    " and resid "152 " and name "HA1 ")
  OR 
     (segid "    " and resid "146 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9656 weight  0.10000E+01 volume  0.40500E+00 ppm1      2.174 ppm2      4.008
 ASSI (
     (segid "    " and resid "51  " and name "HB1 ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9657 weight  0.10000E+01 volume  0.30500E+00 ppm1      1.969 ppm2      3.795
 ASSI (
     (segid "    " and resid "51  " and name "HB2 ")
 )(
     (segid "    " and resid "62  " and name "HD23")
  OR 
     (segid "    " and resid "62  " and name "HD22")
  OR 
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
  OR 
     (segid "    " and resid "50  " and name "HG22")
  OR 
     (segid "    " and resid "50  " and name "HG21")
 )
      5.000     5.000     0.000 peak  9658 weight  0.10000E+01 volume  0.45100E+00 ppm1      1.451 ppm2      0.955
 ASSI (
     (segid "    " and resid "51  " 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")
  OR 
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
  OR 
     (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  9659 weight  0.10000E+01 volume  0.13380E+01 ppm1      1.961 ppm2      0.941
 ASSI (
     (segid "    " and resid "51  " 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  9660 weight  0.10000E+01 volume  0.79500E+00 ppm1      1.962 ppm2      1.322
 ASSI (
     (segid "    " and resid "157 " and name "HB1 ")
 )(
     (segid "    " and resid "145 " and name "HD23")
  OR 
     (segid "    " and resid "145 " and name "HD21")
 )
      5.000     5.000     0.000 peak  9661 weight  0.10000E+01 volume  0.95900E+00 ppm1      2.275 ppm2      0.995
 ASSI (
     (segid "    " and resid "157 " and name "HB1 ")
 )(
     (segid "    " and resid "152 " and name "HA1 ")
 )
      5.000     5.000     0.000 peak  9662 weight  0.10000E+01 volume  0.42200E+00 ppm1      2.295 ppm2      4.014
 ASSI (
     (segid "    " and resid "51  " and name "HB2 ")
 )(
     (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  9663 weight  0.10000E+01 volume  0.17700E+00 ppm1      1.456 ppm2      1.679
 ASSI (
     (segid "    " and resid "157 " and name "HB2 ")
 )(
     (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  9664 weight  0.10000E+01 volume  0.40400E+00 ppm1      2.169 ppm2      1.432
 ASSI (
     (segid "    " and resid "51  " and name "HB2 ")
 )(
     (segid "    " and resid "18  " and name "HB2 ")
  OR 
     (segid "    " and resid "18  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9665 weight  0.10000E+01 volume  0.76000E+00 ppm1      1.449 ppm2      1.326
 ASSI (
     (segid "    " and resid "51  " and name "HB2 ")
 )(
     (segid "    " and resid "48  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9666 weight  0.10000E+01 volume  0.14700E+00 ppm1      1.460 ppm2      3.805
 ASSI (
     (segid "    " and resid "110 " and name "HA  ")
 )(
     (segid "    " and resid "111 " and name "HD13")
  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
  OR 
     (segid "    " and resid "108 " and name "HG23")
  OR 
     (segid "    " and resid "108 " and name "HG22")
  OR 
     (segid "    " and resid "108 " and name "HG21")
 )
      6.000     6.000     0.000 peak  9667 weight  0.10000E+01 volume -0.25700E+00 ppm1      4.083 ppm2      1.193
 ASSI (
     (segid "    " and resid "110 " and name "HA  ")
 )(
     (segid "    " and resid "138 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9668 weight  0.10000E+01 volume -0.19800E+00 ppm1      4.089 ppm2      2.865
 ASSI (
     (segid "    " and resid "110 " and name "HA  ")
 )(
     (segid "    " and resid "114 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9669 weight  0.10000E+01 volume -0.34000E+00 ppm1      4.090 ppm2      3.506
 ASSI (
     (segid "    " and resid "110 " and name "HA  ")
 )(
     (segid "    " and resid "138 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9670 weight  0.10000E+01 volume -0.19400E+00 ppm1      4.075 ppm2      4.582
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "33  " and name "HG1 ")
  OR 
     (segid "    " and resid "33  " and name "HB2 ")
  OR 
     (segid "    " and resid "25  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  9672 weight  0.10000E+01 volume -0.26900E+00 ppm1      3.994 ppm2      2.328
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "31  " and name "HB2 ")
  OR 
     (segid "    " and resid "31  " and name "HB1 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9673 weight  0.10000E+01 volume -0.25300E+00 ppm1      3.994 ppm2      3.110
 ASSI (
     (segid "    " and resid "157 " 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  9674 weight  0.10000E+01 volume -0.94900E+00 ppm1      3.701 ppm2      0.632
 ASSI (
     (segid "    " and resid "157 " and name "HA  ")
  OR 
     (segid "    " and resid "118 " and name "HA  ")
 )(
     (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 "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  9675 weight  0.10000E+01 volume -0.10080E+01 ppm1      3.696 ppm2      0.764
 ASSI (
     (segid "    " and resid "157 " and name "HA  ")
  OR 
     (segid "    " and resid "118 " and name "HA  ")
  OR 
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "147 " and name "HD23")
  OR 
     (segid "    " and resid "147 " and name "HD22")
  OR 
     (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 "30  " and name "HB2 ")
 )
      3.300     3.300     0.000 peak  9676 weight  0.10000E+01 volume -0.22620E+01 ppm1      3.701 ppm2      1.006
 ASSI (
     (segid "    " and resid "157 " and name "HA  ")
 )(
     (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  9677 weight  0.10000E+01 volume -0.12430E+01 ppm1      3.701 ppm2      1.433
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "28  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  9678 weight  0.10000E+01 volume -0.11350E+01 ppm1      3.994 ppm2      1.527
 ASSI (
     (segid "    " and resid "143 " and name "HA  ")
 )(
     (segid "    " and resid "137 " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  9679 weight  0.10000E+01 volume -0.13400E+00 ppm1      5.382 ppm2      1.673
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "32  " and name "HG2 ")
  OR 
     (segid "    " and resid "28  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9680 weight  0.10000E+01 volume -0.16490E+01 ppm1      3.995 ppm2      1.700
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "32  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9681 weight  0.10000E+01 volume -0.10040E+01 ppm1      3.995 ppm2      1.833
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "32  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9682 weight  0.10000E+01 volume -0.66800E+00 ppm1      3.995 ppm2      2.207
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "61  " and name "HG1 ")
  OR 
     (segid "    " and resid "33  " and name "HB1 ")
  OR 
     (segid "    " and resid "24  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  9683 weight  0.10000E+01 volume -0.17000E+00 ppm1      3.990 ppm2      2.448
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "32  " and name "HD2 ")
  OR 
     (segid "    " and resid "32  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9684 weight  0.10000E+01 volume -0.23600E+00 ppm1      3.995 ppm2      3.248
 ASSI (
     (segid "    " and resid "143 " and name "HA  ")
 )(
     (segid "    " and resid "144 " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  9685 weight  0.10000E+01 volume -0.30100E+00 ppm1      5.382 ppm2      3.715
 ASSI (
     (segid "    " and resid "157 " and name "HA  ")
  OR 
     (segid "    " and resid "118 " and name "HA  ")
  OR 
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "161 " and name "HA  ")
  OR 
     (segid "    " and resid "152 " and name "HA1 ")
  OR 
     (segid "    " and resid "150 " and name "HA  ")
  OR 
     (segid "    " and resid "146 " and name "HA  ")
  OR 
     (segid "    " and resid "120 " and name "HA1 ")
  OR 
     (segid "    " and resid "114 " 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  9686 weight  0.10000E+01 volume -0.51700E+00 ppm1      3.705 ppm2      3.997
 ASSI (
     (segid "    " and resid "28  " and name "HA  ")
 )(
     (segid "    " and resid "32  " and name "HA  ")
  OR 
     (segid "    " and resid "31  " and name "HA  ")
  OR 
     (segid "    " and resid "25  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9687 weight  0.10000E+01 volume -0.15500E+00 ppm1      3.995 ppm2      4.635
 ASSI (
     (segid "    " and resid "71  " and name "HA  ")
 )(
     (segid "    " and resid "72  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9688 weight  0.10000E+01 volume -0.90000E-01 ppm1      4.319 ppm2      4.995
 ASSI (
     (segid "    " and resid "157 " and name "HA  ")
  OR 
     (segid "    " and resid "118 " and name "HA  ")
 )(
     (segid "    " and resid "160 " and name "HG  ")
  OR 
     (segid "    " and resid "151 " and name "HG2 ")
  OR 
     (segid "    " and resid "151 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9689 weight  0.10000E+01 volume -0.13290E+01 ppm1      3.706 ppm2      1.779
 ASSI (
     (segid "    " and resid "157 " and name "HA  ")
  OR 
     (segid "    " and resid "118 " and name "HA  ")
  OR 
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "161 " and name "HG1 ")
  OR 
     (segid "    " and resid "150 " and name "HG1 ")
  OR 
     (segid "    " and resid "24  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9690 weight  0.10000E+01 volume -0.32700E+00 ppm1      3.709 ppm2      2.516
 ASSI (
     (segid "    " and resid "157 " and name "HA  ")
  OR 
     (segid "    " and resid "118 " and name "HA  ")
 )(
     (segid "    " and resid "156 " and name "HB2 ")
  OR 
     (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  9691 weight  0.10000E+01 volume -0.48600E+00 ppm1      3.684 ppm2      1.181
 ASSI (
     (segid "    " and resid "154 " and name "HG2 ")
  OR 
     (segid "    " and resid "154 " and name "HG1 ")
  OR 
     (segid "    " and resid "65  " and name "HG2 ")
 )(
     (segid "    " and resid "159 " and name "HG12")
  OR 
     (segid "    " and resid "156 " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB3 ")
  OR 
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
  OR 
     (segid "    " and resid "62  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9692 weight  0.10000E+01 volume  0.11600E+00 ppm1      2.449 ppm2      1.146
 ASSI (
     (segid "    " and resid "157 " and name "HA  ")
  OR 
     (segid "    " and resid "118 " and name "HA  ")
  OR 
     (segid "    " and resid "27  " 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")
  OR 
     (segid "    " and resid "159 " and name "HG23")
  OR 
     (segid "    " and resid "145 " and name "HD12")
  OR 
     (segid "    " and resid "145 " and name "HD11")
  OR 
     (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 "117 " and name "HD13")
  OR 
     (segid "    " and resid "117 " and name "HD12")
  OR 
     (segid "    " and resid "117 " and name "HD11")
  OR 
     (segid "    " and resid "62  " and name "HD22")
  OR 
     (segid "    " and resid "58  " 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 "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  9693 weight  0.10000E+01 volume -0.90900E+00 ppm1      3.696 ppm2      0.908
 ASSI (
     (segid "    " and resid "71  " 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  9694 weight  0.10000E+01 volume  0.40100E+00 ppm1      2.052 ppm2      1.204
 ASSI (
     (segid "    " and resid "72  " and name "HB1 ")
 )(
     (segid "    " and resid "76  " and name "HA2 ")
 )
      5.000     5.000     0.000 peak  9695 weight  0.10000E+01 volume  0.38400E+00 ppm1      1.984 ppm2      3.786
 ASSI (
     (segid "    " and resid "71  " 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  9696 weight  0.10000E+01 volume -0.12800E+00 ppm1      4.323 ppm2      1.181
 ASSI (
     (segid "    " and resid "72  " and name "HB2 ")
 )(
     (segid "    " and resid "76  " and name "HA2 ")
 )
      6.000     6.000     0.000 peak  9697 weight  0.10000E+01 volume  0.22000E+00 ppm1      1.836 ppm2      3.788
 ASSI (
     (segid "    " and resid "154 " and name "HG2 ")
  OR 
     (segid "    " and resid "154 " and name "HG1 ")
  OR 
     (segid "    " and resid "65  " and name "HG2 ")
 )(
     (segid "    " and resid "156 " and name "HA  ")
  OR 
     (segid "    " and resid "37  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9698 weight  0.10000E+01 volume  0.21800E+00 ppm1      2.443 ppm2      4.121
 ASSI (
     (segid "    " and resid "65  " and name "HG1 ")
 )(
     (segid "    " and resid "30  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9699 weight  0.10000E+01 volume  0.21400E+00 ppm1      2.573 ppm2      1.564
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "61  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9700 weight  0.10000E+01 volume -0.61200E+00 ppm1      3.662 ppm2      2.452
 ASSI (
     (segid "    " and resid "65  " and name "HG1 ")
 )(
     (segid "    " and resid "37  " and name "HG1 ")
  OR 
     (segid "    " and resid "37  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9701 weight  0.10000E+01 volume  0.35600E+00 ppm1      2.577 ppm2      1.682
 ASSI (
     (segid "    " and resid "71  " and name "HA  ")
 )(
     (segid "    " and resid "72  " and name "HG2 ")
  OR 
     (segid "    " and resid "72  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  9702 weight  0.10000E+01 volume -0.26900E+00 ppm1      4.332 ppm2      2.255
 ASSI (
     (segid "    " and resid "65  " and name "HG2 ")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9703 weight  0.10000E+01 volume  0.17100E+00 ppm1      2.441 ppm2      4.236
 ASSI (
     (segid "    " and resid "65  " and name "HG1 ")
 )(
     (segid "    " and resid "37  " and name "HA  ")
  OR 
     (segid "    " and resid "34  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9704 weight  0.10000E+01 volume  0.30600E+00 ppm1      2.579 ppm2      4.071
 ASSI (
     (segid "    " and resid "154 " and name "HG2 ")
  OR 
     (segid "    " and resid "154 " and name "HG1 ")
 )(
     (segid "    " and resid "154 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9705 weight  0.10000E+01 volume  0.19700E+00 ppm1      2.436 ppm2      4.366
 ASSI (
     (segid "    " and resid "72  " and name "HB1 ")
 )(
     (segid "    " and resid "72  " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  9706 weight  0.10000E+01 volume  0.48430E+01 ppm1      1.970 ppm2      1.834
 ASSI (
     (segid "    " and resid "72  " and name "HB1 ")
 )(
     (segid "    " and resid "78  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9707 weight  0.10000E+01 volume  0.18000E+00 ppm1      1.969 ppm2      4.479
 ASSI (
     (segid "    " and resid "65  " and name "HG2 ")
 )(
     (segid "    " and resid "37  " and name "HG1 ")
  OR 
     (segid "    " and resid "37  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9708 weight  0.10000E+01 volume  0.41600E+00 ppm1      2.453 ppm2      1.697
 ASSI (
     (segid "    " and resid "127 " and name "HA  ")
 )(
     (segid "    " and resid "126 " and name "HA  ")
  OR 
     (segid "    " and resid "123 " and name "HB2 ")
  OR 
     (segid "    " and resid "123 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9709 weight  0.10000E+01 volume -0.14760E+01 ppm1      4.304 ppm2      4.005
 ASSI (
     (segid "    " and resid "127 " and name "HA  ")
 )(
     (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 "93  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  9710 weight  0.10000E+01 volume -0.18400E+00 ppm1      4.300 ppm2      1.129
 ASSI (
     (segid "    " and resid "127 " and name "HA  ")
 )(
     (segid "    " and resid "127 " and name "HE2 ")
  OR 
     (segid "    " and resid "127 " and name "HE1 ")
 )
      5.000     5.000     0.000 peak  9712 weight  0.10000E+01 volume -0.11180E+01 ppm1      4.303 ppm2      7.213
 ASSI (
     (segid "    " and resid "150 " and name "HG1 ")
 )(
     (segid "    " and resid "151 " and name "HG2 ")
  OR 
     (segid "    " and resid "151 " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  9713 weight  0.10000E+01 volume  0.25600E+00 ppm1      2.547 ppm2      1.811
 ASSI (
     (segid "    " and resid "72  " and name "HG2 ")
  OR 
     (segid "    " and resid "72  " and name "HG1 ")
 )(
     (segid "    " and resid "77  " and name "HA  ")
  OR 
     (segid "    " and resid "76  " and name "HA2 ")
 )
      6.000     6.000     0.000 peak  9714 weight  0.10000E+01 volume  0.17400E+00 ppm1      2.244 ppm2      3.784
 ASSI (
     (segid "    " and resid "150 " and name "HG1 ")
 )(
     (segid "    " and resid "142 " and name "HD23")
  OR 
     (segid "    " and resid "142 " 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")
 )
      5.000     5.000     0.000 peak  9715 weight  0.10000E+01 volume  0.31900E+00 ppm1      2.557 ppm2      0.753
 ASSI (
     (segid "    " and resid "150 " and name "HG2 ")
 )(
     (segid "    " and resid "147 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9716 weight  0.10000E+01 volume  0.32500E+00 ppm1      2.331 ppm2      4.200
 ASSI (
     (segid "    " and resid "164 " and name "HB2 ")
 )(
     (segid "    " and resid "161 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9717 weight  0.10000E+01 volume  0.52700E+00 ppm1      1.943 ppm2      4.017
 ASSI (
     (segid "    " and resid "150 " and name "HG1 ")
 )(
     (segid "    " and resid "147 " and name "HD23")
  OR 
     (segid "    " and resid "147 " and name "HD22")
  OR 
     (segid "    " and resid "147 " and name "HD21")
 )
      5.000     5.000     0.000 peak  9718 weight  0.10000E+01 volume  0.35600E+00 ppm1      2.552 ppm2      1.031
 ASSI (
     (segid "    " and resid "150 " and name "HG1 ")
 )(
     (segid "    " and resid "147 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9719 weight  0.10000E+01 volume  0.20600E+00 ppm1      2.551 ppm2      4.227
 ASSI (
     (segid "    " and resid "164 " and name "HB1 ")
  OR 
     (segid "    " and resid "150 " and name "HG2 ")
 )(
     (segid "    " and resid "166 " and name "HG23")
  OR 
     (segid "    " and resid "166 " and name "HG22")
  OR 
     (segid "    " and resid "166 " and name "HG21")
  OR 
     (segid "    " and resid "147 " and name "HD23")
  OR 
     (segid "    " and resid "147 " and name "HD22")
  OR 
     (segid "    " and resid "147 " and name "HD21")
 )
      5.000     5.000     0.000 peak  9720 weight  0.10000E+01 volume  0.51700E+00 ppm1      2.341 ppm2      1.036
 ASSI (
     (segid "    " and resid "25  " and name "HG1 ")
 )(
     (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  9721 weight  0.10000E+01 volume  0.55500E+00 ppm1      2.348 ppm2      0.765
 ASSI (
     (segid "    " and resid "150 " and name "HG1 ")
 )(
     (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  9722 weight  0.10000E+01 volume  0.44400E+00 ppm1      2.549 ppm2      0.887
 ASSI (
     (segid "    " and resid "25  " and name "HG2 ")
 )(
     (segid "    " and resid "29  " and name "HD23")
  OR 
     (segid "    " and resid "29  " and name "HD13")
  OR 
     (segid "    " and resid "29  " and name "HD11")
 )
      5.000     5.000     0.000 peak  9723 weight  0.10000E+01 volume  0.49200E+00 ppm1      2.152 ppm2      0.768
 ASSI (
     (segid "    " and resid "164 " and name "HB1 ")
  OR 
     (segid "    " and resid "25  " and name "HG1 ")
 )(
     (segid "    " and resid "166 " and name "HG11")
  OR 
     (segid "    " and resid "17  " and name "HB3 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9724 weight  0.10000E+01 volume  0.13770E+01 ppm1      2.356 ppm2      1.516
 ASSI (
     (segid "    " and resid "25  " and name "HG2 ")
 )(
     (segid "    " and resid "17  " and name "HB3 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9725 weight  0.10000E+01 volume  0.10140E+01 ppm1      2.147 ppm2      1.517
 ASSI (
     (segid "    " and resid "25  " and name "HG1 ")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9726 weight  0.10000E+01 volume  0.24700E+00 ppm1      2.340 ppm2      4.635
 ASSI (
     (segid "    " and resid "25  " and name "HG2 ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
  OR 
     (segid "    " and resid "14  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9727 weight  0.10000E+01 volume  0.16700E+00 ppm1      2.131 ppm2      4.127
 ASSI (
     (segid "    " and resid "123 " and name "HA  ")
 )(
     (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  9728 weight  0.10000E+01 volume -0.34200E+00 ppm1      4.342 ppm2      0.819
 ASSI (
     (segid "    " and resid "107 " 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")
 )
      6.000     6.000     0.000 peak  9729 weight  0.10000E+01 volume -0.17400E+00 ppm1      4.288 ppm2      1.166
 ASSI (
     (segid "    " and resid "107 " and name "HA  ")
 )(
     (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  9730 weight  0.10000E+01 volume -0.41300E+00 ppm1      4.288 ppm2      3.781
 ASSI (
     (segid "    " and resid "107 " and name "HA  ")
 )(
     (segid "    " and resid "108 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9731 weight  0.10000E+01 volume -0.12900E+00 ppm1      4.288 ppm2      4.609
 ASSI (
     (segid "    " and resid "161 " and name "HG2 ")
 )(
     (segid "    " and resid "158 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9732 weight  0.10000E+01 volume  0.17400E+00 ppm1      2.376 ppm2      4.335
 ASSI (
     (segid "    " and resid "161 " and name "HG2 ")
 )(
     (segid "    " and resid "145 " and name "HD23")
  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")
 )
      5.000     5.000     0.000 peak  9733 weight  0.10000E+01 volume  0.10660E+01 ppm1      2.368 ppm2      0.977
 ASSI (
     (segid "    " and resid "161 " and name "HG1 ")
 )(
     (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  9734 weight  0.10000E+01 volume  0.89800E+00 ppm1      2.543 ppm2      0.990
 ASSI (
     (segid "    " and resid "161 " and name "HG1 ")
 )(
     (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 "160 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9735 weight  0.10000E+01 volume  0.42600E+00 ppm1      2.542 ppm2      1.982
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (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 "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  9736 weight  0.10000E+01 volume -0.73000E+00 ppm1      3.908 ppm2      0.914
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "83  " and name "HB3 ")
  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 ")
 )
      5.000     5.000     0.000 peak  9737 weight  0.10000E+01 volume -0.38300E+00 ppm1      3.915 ppm2      1.326
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "51  " 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 ")
 )
      6.000     6.000     0.000 peak  9738 weight  0.10000E+01 volume -0.18000E+00 ppm1      3.902 ppm2      1.952
 ASSI (
     (segid "    " and resid "131 " and name "HG2 ")
 )(
     (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 "HG11")
 )
      5.000     5.000     0.000 peak  9739 weight  0.10000E+01 volume  0.52700E+00 ppm1      1.961 ppm2      0.875
 ASSI (
     (segid "    " and resid "131 " and name "HG1 ")
 )(
     (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  9740 weight  0.10000E+01 volume  0.16300E+00 ppm1      2.070 ppm2      1.118
 ASSI (
     (segid "    " and resid "131 " and name "HG2 ")
 )(
     (segid "    " and resid "130 " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  9741 weight  0.10000E+01 volume  0.43300E+00 ppm1      1.968 ppm2      1.756
 ASSI (
     (segid "    " and resid "131 " and name "HG1 ")
 )(
     (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 "HG12")
 )
      5.000     5.000     0.000 peak  9742 weight  0.10000E+01 volume  0.63800E+00 ppm1      2.079 ppm2      0.874
 ASSI (
     (segid "    " and resid "131 " and name "HG2 ")
 )(
     (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  9743 weight  0.10000E+01 volume  0.18800E+00 ppm1      1.967 ppm2      1.124
 ASSI (
     (segid "    " and resid "86  " and name "HA  ")
 )(
     (segid "    " and resid "88  " and name "HE2 ")
  OR 
     (segid "    " and resid "88  " and name "HE1 ")
  OR 
     (segid "    " and resid "53  " and name "HE2 ")
 )
      6.000     6.000     0.000 peak  9744 weight  0.10000E+01 volume -0.18400E+00 ppm1      4.315 ppm2      7.357
 ASSI (
     (segid "    " and resid "155 " and name "HB2 ")
 )(
     (segid "    " and resid "159 " and name "HD13")
  OR 
     (segid "    " and resid "159 " and name "HD12")
  OR 
     (segid "    " and resid "159 " and name "HD11")
 )
      6.000     6.000     0.000 peak  9745 weight  0.10000E+01 volume  0.11600E+00 ppm1      2.873 ppm2      0.905
 ASSI (
     (segid "    " and resid "61  " and name "HG1 ")
 )(
     (segid "    " and resid "57  " and name "HB3 ")
  OR 
     (segid "    " and resid "27  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  9746 weight  0.10000E+01 volume  0.26800E+00 ppm1      2.457 ppm2      1.473
 ASSI (
     (segid "    " and resid "155 " and name "HB2 ")
 )(
     (segid "    " and resid "158 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9747 weight  0.10000E+01 volume  0.19100E+00 ppm1      2.871 ppm2      2.662
 ASSI (
     (segid "    " and resid "61  " and name "HG2 ")
 )(
     (segid "    " and resid "57  " and name "HB2 ")
  OR 
     (segid "    " and resid "27  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  9748 weight  0.10000E+01 volume  0.46000E+00 ppm1      2.085 ppm2      1.475
 ASSI (
     (segid "    " and resid "61  " and name "HG1 ")
 )(
     (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  9749 weight  0.10000E+01 volume  0.54300E+00 ppm1      2.447 ppm2      0.933
 ASSI (
     (segid "    " and resid "61  " and name "HG1 ")
 )(
     (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  9750 weight  0.10000E+01 volume  0.13700E+00 ppm1      2.444 ppm2      0.675
 ASSI (
     (segid "    " and resid "61  " and name "HG1 ")
 )(
     (segid "    " and resid "26  " and name "HG23")
  OR 
     (segid "    " and resid "26  " and name "HG22")
  OR 
     (segid "    " and resid "26  " and name "HG21")
 )
      6.000     6.000     0.000 peak  9751 weight  0.10000E+01 volume  0.24100E+00 ppm1      2.447 ppm2      0.810
 ASSI (
     (segid "    " and resid "61  " and name "HG2 ")
 )(
     (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 "HG21")
  OR 
     (segid "    " and resid "23  " and name "HG13")
 )
      5.000     5.000     0.000 peak  9752 weight  0.10000E+01 volume  0.79600E+00 ppm1      2.089 ppm2      0.926
 ASSI (
     (segid "    " and resid "61  " and name "HG2 ")
 )(
     (segid "    " and resid "30  " and name "HD12")
  OR 
     (segid "    " and resid "30  " and name "HD11")
 )
      6.000     6.000     0.000 peak  9753 weight  0.10000E+01 volume  0.21000E+00 ppm1      2.098 ppm2      0.675
 ASSI (
     (segid "    " and resid "61  " and name "HG2 ")
 )(
     (segid "    " and resid "26  " and name "HG23")
  OR 
     (segid "    " and resid "26  " and name "HG21")
 )
      5.000     5.000     0.000 peak  9754 weight  0.10000E+01 volume  0.30900E+00 ppm1      2.092 ppm2      0.823
 ASSI (
     (segid "    " and resid "126 " and name "HA  ")
  OR 
     (segid "    " and resid "107 " and name "HB2 ")
  OR 
     (segid "    " and resid "107 " and name "HB1 ")
  OR 
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "148 " and name "HB3 ")
  OR 
     (segid "    " and resid "148 " and name "HB2 ")
  OR 
     (segid "    " and resid "139 " and name "HB2 ")
  OR 
     (segid "    " and resid "139 " and name "HB1 ")
  OR 
     (segid "    " and resid "115 " and name "HB2 ")
  OR 
     (segid "    " and resid "113 " and name "HG11")
  OR 
     (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 ")
 )
      6.000     6.000     0.000 peak  9755 weight  0.10000E+01 volume -0.22300E+00 ppm1      3.986 ppm2      1.439
 ASSI (
     (segid "    " and resid "110 " and name "HB2 ")
  OR 
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "112 " and name "HG1 ")
  OR 
     (segid "    " and resid "105 " and name "HB1 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
  OR 
     (segid "    " and resid "52  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9757 weight  0.10000E+01 volume -0.20500E+00 ppm1      3.684 ppm2      1.842
 ASSI (
     (segid "    " and resid "126 " and name "HA  ")
 )(
     (segid "    " and resid "159 " and name "HB  ")
 )
      5.000     5.000     0.000 peak  9758 weight  0.10000E+01 volume -0.66200E+00 ppm1      3.994 ppm2      1.870
 ASSI (
     (segid "    " and resid "126 " and name "HA  ")
  OR 
     (segid "    " and resid "107 " and name "HB2 ")
  OR 
     (segid "    " and resid "107 " and name "HB1 ")
  OR 
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (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 "115 " and name "HB1 ")
  OR 
     (segid "    " and resid "26  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  9759 weight  0.10000E+01 volume -0.34200E+00 ppm1      3.995 ppm2      2.180
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "58  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  9760 weight  0.10000E+01 volume -0.36300E+00 ppm1      3.694 ppm2      2.313
 ASSI (
     (segid "    " and resid "35  " and name "HA  ")
 )(
     (segid "    " and resid "36  " and name "HB1 ")
  OR 
     (segid "    " and resid "13  " and name "HD2 ")
  OR 
     (segid "    " and resid "13  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9762 weight  0.10000E+01 volume -0.12100E+00 ppm1      3.781 ppm2      3.221
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  9763 weight  0.10000E+01 volume -0.30600E+00 ppm1      3.688 ppm2      3.370
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "57  " and name "HB3 ")
  OR 
     (segid "    " and resid "57  " and name "HB2 ")
  OR 
     (segid "    " and resid "57  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9764 weight  0.10000E+01 volume -0.14800E+00 ppm1      3.685 ppm2      1.460
 ASSI (
     (segid "    " and resid "35  " and name "HA  ")
 )(
     (segid "    " and resid "36  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9765 weight  0.10000E+01 volume -0.18400E+00 ppm1      3.789 ppm2      4.357
 ASSI (
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "56  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak  9766 weight  0.10000E+01 volume -0.55100E+00 ppm1      3.994 ppm2      3.366
 ASSI (
     (segid "    " and resid "35  " and name "HA  ")
 )(
     (segid "    " and resid "33  " and name "HG2 ")
  OR 
     (segid "    " and resid "33  " and name "HG1 ")
  OR 
     (segid "    " and resid "10  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  9767 weight  0.10000E+01 volume -0.11690E+01 ppm1      3.790 ppm2      2.245
 ASSI (
     (segid "    " and resid "107 " and name "HB2 ")
  OR 
     (segid "    " and resid "107 " and name "HB1 ")
 )(
     (segid "    " and resid "108 " and name "HG23")
  OR 
     (segid "    " and resid "108 " and name "HG22")
  OR 
     (segid "    " and resid "108 " and name "HG21")
 )
      5.000     5.000     0.000 peak  9769 weight  0.10000E+01 volume -0.12470E+01 ppm1      4.001 ppm2      1.145
 ASSI (
     (segid "    " and resid "110 " and name "HB2 ")
 )(
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "108 " and name "HG23")
  OR 
     (segid "    " and resid "108 " and name "HG22")
  OR 
     (segid "    " and resid "108 " and name "HG21")
 )
      5.000     5.000     0.000 peak  9770 weight  0.10000E+01 volume -0.38000E+00 ppm1      3.701 ppm2      1.166
 ASSI (
     (segid "    " and resid "35  " and name "HA  ")
 )(
     (segid "    " and resid "14  " and name "HB1 ")
  OR 
     (segid "    " and resid "3   " and name "HE3 ")
 )
      5.000     5.000     0.000 peak  9771 weight  0.10000E+01 volume -0.39100E+00 ppm1      3.790 ppm2      2.068
 ASSI (
     (segid "    " and resid "8   " and name "HA  ")
 )(
     (segid "    " and resid "41  " and name "HA  ")
  OR 
     (segid "    " and resid "2   " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9772 weight  0.10000E+01 volume -0.21600E+00 ppm1      4.182 ppm2      4.529
 ASSI (
     (segid "    " and resid "33  " and name "HG2 ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9773 weight  0.10000E+01 volume  0.77600E+00 ppm1      2.193 ppm2      3.892
 ASSI (
     (segid "    " and resid "33  " and name "HG1 ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9774 weight  0.10000E+01 volume  0.72200E+00 ppm1      2.287 ppm2      3.892
 ASSI (
     (segid "    " and resid "33  " and name "HG2 ")
 )(
     (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  9775 weight  0.10000E+01 volume  0.82900E+00 ppm1      2.190 ppm2      0.772
 ASSI (
     (segid "    " and resid "33  " and name "HG2 ")
  OR 
     (segid "    " and resid "6   " and name "HG2 ")
 )(
     (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 "8   " and name "HG23")
  OR 
     (segid "    " and resid "8   " and name "HG13")
  OR 
     (segid "    " and resid "8   " and name "HG11")
 )
      5.000     5.000     0.000 peak  9776 weight  0.10000E+01 volume  0.10590E+01 ppm1      2.188 ppm2      0.948
 ASSI (
     (segid "    " and resid "33  " and name "HG1 ")
  OR 
     (segid "    " and resid "6   " and name "HG1 ")
 )(
     (segid "    " and resid "29  " and name "HB2 ")
  OR 
     (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 "HG13")
  OR 
     (segid "    " and resid "10  " and name "HG12")
  OR 
     (segid "    " and resid "10  " and name "HG11")
 )
      6.000     6.000     0.000 peak  9777 weight  0.10000E+01 volume  0.28000E+00 ppm1      2.296 ppm2      1.109
 ASSI (
     (segid "    " and resid "33  " and name "HG2 ")
 )(
     (segid "    " and resid "28  " and name "HG1 ")
  OR 
     (segid "    " and resid "13  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  9778 weight  0.10000E+01 volume  0.68500E+00 ppm1      2.193 ppm2      1.683
 ASSI (
     (segid "    " and resid "33  " and name "HG1 ")
 )(
     (segid "    " and resid "13  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9779 weight  0.10000E+01 volume  0.16790E+01 ppm1      2.284 ppm2      1.844
 ASSI (
     (segid "    " and resid "33  " and name "HG1 ")
  OR 
     (segid "    " and resid "7   " and name "HG1 ")
  OR 
     (segid "    " and resid "6   " and name "HG1 ")
 )(
     (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 "HG12")
  OR 
     (segid "    " and resid "8   " and name "HG23")
  OR 
     (segid "    " and resid "8   " and name "HG22")
  OR 
     (segid "    " and resid "8   " and name "HG21")
  OR 
     (segid "    " and resid "8   " and name "HG13")
  OR 
     (segid "    " and resid "4   " and name "HD12")
 )
      5.000     5.000     0.000 peak  9780 weight  0.10000E+01 volume  0.84000E+00 ppm1      2.292 ppm2      0.953
 ASSI (
     (segid "    " and resid "107 " and name "HB2 ")
  OR 
     (segid "    " and resid "107 " and name "HB1 ")
 )(
     (segid "    " and resid "108 " and name "HA  ")
  OR 
     (segid "    " and resid "75  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9781 weight  0.10000E+01 volume -0.47300E+00 ppm1      4.021 ppm2      4.647
 ASSI (
     (segid "    " and resid "33  " and name "HG2 ")
  OR 
     (segid "    " and resid "7   " and name "HG2 ")
  OR 
     (segid "    " and resid "6   " and name "HG2 ")
 )(
     (segid "    " and resid "29  " and name "HB2 ")
  OR 
     (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 "HG13")
  OR 
     (segid "    " and resid "10  " and name "HG12")
  OR 
     (segid "    " and resid "10  " and name "HG11")
 )
      5.000     5.000     0.000 peak  9782 weight  0.10000E+01 volume  0.32500E+00 ppm1      2.192 ppm2      1.106
 ASSI (
     (segid "    " and resid "33  " and name "HG1 ")
 )(
     (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  9783 weight  0.10000E+01 volume  0.11990E+01 ppm1      2.298 ppm2      0.770
 ASSI (
     (segid "    " and resid "33  " and name "HG2 ")
 )(
     (segid "    " and resid "35  " and name "HB  ")
  OR 
     (segid "    " and resid "28  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  9784 weight  0.10000E+01 volume  0.53600E+00 ppm1      2.192 ppm2      1.571
 ASSI (
     (segid "    " and resid "97  " and name "HG2 ")
 )(
     (segid "    " and resid "95  " and name "HA  ")
  OR 
     (segid "    " and resid "92  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9785 weight  0.10000E+01 volume  0.17500E+00 ppm1      2.083 ppm2      3.871
 ASSI (
     (segid "    " and resid "97  " and name "HG1 ")
 )(
     (segid "    " and resid "93  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  9786 weight  0.10000E+01 volume  0.27400E+00 ppm1      2.409 ppm2      1.121
 ASSI (
     (segid "    " and resid "8   " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
  OR 
     (segid "    " and resid "40  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9787 weight  0.10000E+01 volume -0.25500E+00 ppm1      4.182 ppm2      1.246
 ASSI (
     (segid "    " and resid "102 " and name "HA  ")
 )(
     (segid "    " and resid "104 " and name "HB3 ")
  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9788 weight  0.10000E+01 volume -0.48900E+00 ppm1      3.888 ppm2      1.326
 ASSI (
     (segid "    " and resid "102 " and name "HA  ")
 )(
     (segid "    " and resid "112 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9789 weight  0.10000E+01 volume -0.73900E+00 ppm1      3.888 ppm2      1.820
 ASSI (
     (segid "    " and resid "102 " and name "HA  ")
 )(
     (segid "    " and resid "112 " and name "HB2 ")
  OR 
     (segid "    " and resid "80  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  9790 weight  0.10000E+01 volume -0.66800E+00 ppm1      3.890 ppm2      1.915
 ASSI (
     (segid "    " and resid "102 " and name "HA  ")
  OR 
     (segid "    " and resid "15  " and name "HA  ")
 )(
     (segid "    " and resid "128 " and name "HB1 ")
  OR 
     (segid "    " and resid "113 " and name "HB  ")
  OR 
     (segid "    " and resid "105 " and name "HG  ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "62  " and name "HG  ")
  OR 
     (segid "    " and resid "51  " and name "HE2 ")
  OR 
     (segid "    " and resid "51  " and name "HE1 ")
  OR 
     (segid "    " and resid "42  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB2 ")
  OR 
     (segid "    " and resid "13  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak  9791 weight  0.10000E+01 volume -0.24700E+00 ppm1      3.897 ppm2      1.692
 ASSI (
     (segid "    " and resid "69  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9792 weight  0.10000E+01 volume -0.17200E+00 ppm1      4.404 ppm2      1.417
 ASSI (
     (segid "    " and resid "49  " and name "HG1 ")
 )(
     (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  9793 weight  0.10000E+01 volume  0.38500E+00 ppm1      2.710 ppm2      0.846
 ASSI (
     (segid "    " and resid "69  " and name "HA  ")
 )(
     (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 "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  9794 weight  0.10000E+01 volume -0.10570E+01 ppm1      4.411 ppm2      0.942
 ASSI (
     (segid "    " and resid "69  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9795 weight  0.10000E+01 volume -0.34600E+00 ppm1      4.406 ppm2      1.577
 ASSI (
     (segid "    " and resid "146 " and name "HG1 ")
 )(
     (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  9796 weight  0.10000E+01 volume  0.14600E+00 ppm1      2.420 ppm2      1.228
 ASSI (
     (segid "    " and resid "146 " and name "HG2 ")
 )(
     (segid "    " and resid "142 " and name "HD23")
  OR 
     (segid "    " and resid "142 " and name "HD22")
 )
      5.000     5.000     0.000 peak  9797 weight  0.10000E+01 volume  0.38500E+00 ppm1      2.333 ppm2      0.741
 ASSI (
     (segid "    " and resid "146 " and name "HG1 ")
 )(
     (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  9798 weight  0.10000E+01 volume  0.30100E+00 ppm1      2.419 ppm2      0.740
 ASSI (
     (segid "    " and resid "140 " and name "HB1 ")
 )(
     (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  9799 weight  0.10000E+01 volume -0.10460E+01 ppm1      4.102 ppm2      0.894
 ASSI (
     (segid "    " and resid "140 " 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")
 )
      5.000     5.000     0.000 peak  9800 weight  0.10000E+01 volume -0.33900E+00 ppm1      4.101 ppm2      0.749
 ASSI (
     (segid "    " and resid "140 " and name "HB2 ")
 )(
     (segid "    " and resid "138 " and name "HA  ")
  OR 
     (segid "    " and resid "108 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9801 weight  0.10000E+01 volume -0.38900E+00 ppm1      3.905 ppm2      4.625
 ASSI (
     (segid "    " and resid "15  " and name "HB2 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
 )(
     (segid "    " and resid "40  " and name "HG  ")
 )
      6.000     6.000     0.000 peak  9802 weight  0.10000E+01 volume -0.26500E+00 ppm1      3.968 ppm2      1.780
 ASSI (
     (segid "    " and resid "81  " and name "HA  ")
  OR 
     (segid "    " and resid "2   " and name "HB1 ")
 )(
     (segid "    " and resid "115 " and name "HG  ")
  OR 
     (segid "    " and resid "112 " and name "HB1 ")
  OR 
     (segid "    " and resid "3   " and name "HE2 ")
 )
      5.000     5.000     0.000 peak  9803 weight  0.10000E+01 volume -0.88800E+00 ppm1      3.888 ppm2      2.047
 ASSI (
     (segid "    " and resid "114 " and name "HA  ")
  OR 
     (segid "    " and resid "15  " and name "HB2 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
 )(
     (segid "    " and resid "150 " and name "HB2 ")
  OR 
     (segid "    " and resid "125 " and name "HB  ")
  OR 
     (segid "    " and resid "115 " and name "HB1 ")
  OR 
     (segid "    " and resid "49  " and name "HG2 ")
  OR 
     (segid "    " and resid "10  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  9804 weight  0.10000E+01 volume -0.19700E+00 ppm1      3.968 ppm2      2.265
 ASSI (
     (segid "    " and resid "45  " and name "HB1 ")
 )(
     (segid "    " and resid "45  " and name "HG2 ")
  OR 
     (segid "    " and resid "45  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9805 weight  0.10000E+01 volume  0.62600E+00 ppm1      1.910 ppm2      1.363
 ASSI (
     (segid "    " and resid "114 " and name "HA  ")
  OR 
     (segid "    " and resid "15  " and name "HB2 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
 )(
     (segid "    " and resid "118 " and name "HG1 ")
  OR 
     (segid "    " and resid "112 " and name "HB2 ")
  OR 
     (segid "    " and resid "111 " and name "HG  ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
  OR 
     (segid "    " and resid "45  " and name "HB1 ")
  OR 
     (segid "    " and resid "42  " and name "HB1 ")
  OR 
     (segid "    " and resid "20  " and name "HG1 ")
  OR 
     (segid "    " and resid "13  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9806 weight  0.10000E+01 volume -0.56000E+00 ppm1      3.968 ppm2      1.926
 ASSI (
     (segid "    " and resid "81  " and name "HA  ")
 )(
     (segid "    " and resid "112 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9807 weight  0.10000E+01 volume -0.84800E+00 ppm1      3.887 ppm2      1.984
 ASSI (
     (segid "    " and resid "114 " and name "HA  ")
 )(
     (segid "    " and resid "117 " and name "HG11")
  OR 
     (segid "    " and resid "117 " and name "HB  ")
 )
      5.000     5.000     0.000 peak  9808 weight  0.10000E+01 volume -0.12050E+01 ppm1      3.968 ppm2      2.064
 ASSI (
     (segid "    " and resid "81  " and name "HA  ")
 )(
     (segid "    " and resid "112 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9809 weight  0.10000E+01 volume -0.34400E+00 ppm1      3.888 ppm2      1.818
 ASSI (
     (segid "    " and resid "77  " and name "HA  ")
 )(
     (segid "    " and resid "112 " and name "HG2 ")
  OR 
     (segid "    " and resid "105 " and name "HD11")
  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 "HG23")
  OR 
     (segid "    " and resid "71  " and name "HG22")
  OR 
     (segid "    " and resid "71  " and name "HG21")
  OR 
     (segid "    " and resid "71  " and name "HG12")
  OR 
     (segid "    " and resid "71  " and name "HG11")
 )
      5.000     5.000     0.000 peak  9810 weight  0.10000E+01 volume -0.50500E+00 ppm1      3.769 ppm2      0.884
 ASSI (
     (segid "    " and resid "81  " and name "HA  ")
 )(
     (segid "    " and resid "84  " and name "HB2 ")
  OR 
     (segid "    " and resid "84  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9811 weight  0.10000E+01 volume -0.76200E+00 ppm1      3.888 ppm2      1.446
 ASSI (
     (segid "    " and resid "81  " and name "HA  ")
 )(
     (segid "    " and resid "115 " and name "HD13")
  OR 
     (segid "    " and resid "115 " and name "HD12")
  OR 
     (segid "    " and resid "115 " and name "HD11")
 )
      3.300     3.300     0.000 peak  9812 weight  0.10000E+01 volume -0.20900E+01 ppm1      3.888 ppm2      1.233
 ASSI (
     (segid "    " and resid "81  " and name "HA  ")
  OR 
     (segid "    " and resid "2   " and name "HB2 ")
  OR 
     (segid "    " and resid "2   " and name "HB1 ")
 )(
     (segid "    " and resid "115 " and name "HB1 ")
  OR 
     (segid "    " and resid "102 " and name "HB  ")
  OR 
     (segid "    " and resid "82  " and name "HB1 ")
  OR 
     (segid "    " and resid "7   " and name "HG1 ")
  OR 
     (segid "    " and resid "6   " and name "HG2 ")
  OR 
     (segid "    " and resid "6   " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  9813 weight  0.10000E+01 volume -0.16100E+00 ppm1      3.887 ppm2      2.254
 ASSI (
     (segid "    " and resid "77  " and name "HA  ")
 )(
     (segid "    " and resid "81  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9814 weight  0.10000E+01 volume -0.29300E+00 ppm1      3.776 ppm2      3.269
 ASSI (
     (segid "    " and resid "81  " and name "HA  ")
 )(
     (segid "    " and resid "112 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9815 weight  0.10000E+01 volume -0.53000E+00 ppm1      3.887 ppm2      1.921
 ASSI (
     (segid "    " and resid "88  " and name "HB2 ")
 )(
     (segid "    " and resid "83  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9816 weight  0.10000E+01 volume  0.10000E+00 ppm1      2.551 ppm2      3.816
 ASSI (
     (segid "    " and resid "77  " and name "HA  ")
 )(
     (segid "    " and resid "106 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB3 ")
 )
      5.000     5.000     0.000 peak  9817 weight  0.10000E+01 volume -0.57000E+00 ppm1      3.773 ppm2      1.370
 ASSI (
     (segid "    " and resid "77  " and name "HA  ")
 )(
     (segid "    " and resid "106 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9818 weight  0.10000E+01 volume -0.24700E+00 ppm1      3.769 ppm2      2.892
 ASSI (
     (segid "    " and resid "75  " and name "HB2 ")
 )(
     (segid "    " and resid "77  " and name "HB  ")
  OR 
     (segid "    " and resid "76  " and name "HA1 ")
  OR 
     (segid "    " and resid "74  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9819 weight  0.10000E+01 volume -0.11500E+01 ppm1      4.021 ppm2      4.235
 ASSI (
     (segid "    " and resid "77  " and name "HA  ")
 )(
     (segid "    " and resid "106 " and name "HA  ")
  OR 
     (segid "    " and resid "105 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9820 weight  0.10000E+01 volume -0.17200E+00 ppm1      3.781 ppm2      4.929
 ASSI (
     (segid "    " and resid "77  " and name "HA  ")
 )(
     (segid "    " and resid "81  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak  9821 weight  0.10000E+01 volume -0.12000E+00 ppm1      3.781 ppm2      7.464
 ASSI (
     (segid "    " and resid "45  " and name "HB2 ")
 )(
     (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  9822 weight  0.10000E+01 volume  0.34600E+00 ppm1      1.515 ppm2      0.845
 ASSI (
     (segid "    " and resid "88  " and name "HB2 ")
 )(
     (segid "    " and resid "91  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  9823 weight  0.10000E+01 volume  0.22000E+00 ppm1      2.531 ppm2      4.213
 ASSI (
     (segid "    " and resid "88  " and name "HB2 ")
 )(
     (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 ")
 )
      6.000     6.000     0.000 peak  9824 weight  0.10000E+01 volume  0.11000E+00 ppm1      2.535 ppm2      1.323
 ASSI (
     (segid "    " and resid "114 " and name "HD2 ")
  OR 
     (segid "    " and resid "31  " and name "HD2 ")
 )(
     (segid "    " and resid "160 " and name "HD13")
  OR 
     (segid "    " and resid "160 " and name "HD12")
  OR 
     (segid "    " and resid "160 " and name "HD11")
  OR 
     (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  9825 weight  0.10000E+01 volume -0.12500E+00 ppm1      6.961 ppm2      0.664
 ASSI (
     (segid "    " and resid "88  " and name "HB1 ")
 )(
     (segid "    " and resid "91  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  9826 weight  0.10000E+01 volume  0.13700E+00 ppm1      3.448 ppm2      4.209
 ASSI (
     (segid "    " and resid "113 " and name "HB  ")
 )(
     (segid "    " and resid "128 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9827 weight  0.10000E+01 volume  0.48900E+00 ppm1      1.734 ppm2      1.203
 ASSI (
     (segid "    " and resid "114 " and name "HD2 ")
 )(
     (segid "    " and resid "142 " and name "HD13")
  OR 
     (segid "    " and resid "117 " and name "HD13")
  OR 
     (segid "    " and resid "117 " and name "HD12")
  OR 
     (segid "    " and resid "117 " and name "HD11")
 )
      6.000     6.000     0.000 peak  9828 weight  0.10000E+01 volume -0.20400E+00 ppm1      6.957 ppm2      0.899
 ASSI (
     (segid "    " and resid "75  " and name "HB1 ")
  OR 
     (segid "    " and resid "37  " and name "HA  ")
 )(
     (segid "    " and resid "77  " and name "HA  ")
  OR 
     (segid "    " and resid "76  " and name "HA2 ")
  OR 
     (segid "    " and resid "62  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9829 weight  0.10000E+01 volume -0.51600E+00 ppm1      4.102 ppm2      3.781
 ASSI (
     (segid "    " and resid "113 " and name "HB  ")
 )(
     (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  9830 weight  0.10000E+01 volume  0.91600E+00 ppm1      1.727 ppm2      0.891
 ASSI (
     (segid "    " and resid "37  " and name "HA  ")
 )(
     (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  9831 weight  0.10000E+01 volume -0.77200E+00 ppm1      4.102 ppm2      0.673
 ASSI (
     (segid "    " and resid "37  " and name "HA  ")
 )(
     (segid "    " and resid "14  " and name "HG  ")
 )
      5.000     5.000     0.000 peak  9832 weight  0.10000E+01 volume -0.64400E+00 ppm1      4.101 ppm2      1.580
 ASSI (
     (segid "    " and resid "114 " and name "HD2 ")
 )(
     (segid "    " and resid "113 " and name "HG23")
  OR 
     (segid "    " and resid "113 " and name "HG22")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )
      6.000     6.000     0.000 peak  9833 weight  0.10000E+01 volume -0.15700E+00 ppm1      6.957 ppm2      0.756
 ASSI (
     (segid "    " and resid "114 " and name "HD2 ")
 )(
     (segid "    " and resid "142 " and name "HD13")
  OR 
     (segid "    " and resid "117 " and name "HD13")
  OR 
     (segid "    " and resid "117 " and name "HD12")
  OR 
     (segid "    " and resid "117 " and name "HD11")
 )
      6.000     6.000     0.000 peak  9834 weight  0.10000E+01 volume -0.26100E+00 ppm1      6.957 ppm2      0.910
 ASSI (
     (segid "    " and resid "37  " and name "HA  ")
 )(
     (segid "    " and resid "37  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9835 weight  0.10000E+01 volume -0.17100E+00 ppm1      4.102 ppm2      3.301
 ASSI (
     (segid "    " and resid "117 " and name "HA  ")
 )(
     (segid "    " and resid "120 " and name "HA1 ")
  OR 
     (segid "    " and resid "114 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9836 weight  0.10000E+01 volume -0.11200E+00 ppm1      3.515 ppm2      4.009
 ASSI (
     (segid "    " and resid "159 " and name "HA  ")
 )(
     (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")
 )
      5.000     5.000     0.000 peak  9837 weight  0.10000E+01 volume -0.32100E+00 ppm1      3.763 ppm2      0.743
 ASSI (
     (segid "    " and resid "159 " and name "HA  ")
 )(
     (segid "    " and resid "162 " and name "HA1 ")
  OR 
     (segid "    " and resid "126 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9838 weight  0.10000E+01 volume -0.32700E+00 ppm1      3.761 ppm2      4.007
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "93  " and name "HB2 ")
  OR 
     (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  9839 weight  0.10000E+01 volume -0.29700E+00 ppm1      4.315 ppm2      1.687
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "94  " and name "HA  ")
  OR 
     (segid "    " and resid "57  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9840 weight  0.10000E+01 volume -0.71500E+00 ppm1      4.312 ppm2      4.091
 ASSI (
     (segid "    " and resid "117 " and name "HA  ")
 )(
     (segid "    " and resid "148 " and name "HB2 ")
  OR 
     (segid "    " and resid "148 " and name "HB1 ")
  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")
 )
      5.000     5.000     0.000 peak  9841 weight  0.10000E+01 volume -0.30600E+00 ppm1      3.514 ppm2      1.469
 ASSI (
     (segid "    " and resid "117 " and name "HA  ")
 )(
     (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")
 )
      3.300     3.300     0.000 peak  9842 weight  0.10000E+01 volume -0.25860E+01 ppm1      3.514 ppm2      1.006
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "94  " and name "HG13")
  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  9843 weight  0.10000E+01 volume -0.11110E+01 ppm1      4.309 ppm2      1.157
 ASSI (
     (segid "    " and resid "117 " and name "HA  ")
 )(
     (segid "    " and resid "153 " and name "HB3 ")
  OR 
     (segid "    " and resid "153 " and name "HB2 ")
  OR 
     (segid "    " and resid "153 " and name "HB1 ")
  OR 
     (segid "    " and resid "113 " and name "HG12")
 )
      6.000     6.000     0.000 peak  9844 weight  0.10000E+01 volume -0.15800E+00 ppm1      3.514 ppm2      1.353
 ASSI (
     (segid "    " and resid "117 " and name "HA  ")
 )(
     (segid "    " and resid "156 " and name "HG  ")
  OR 
     (segid "    " and resid "151 " and name "HG1 ")
  OR 
     (segid "    " and resid "118 " and name "HG1 ")
 )
      6.000     6.000     0.000 peak  9846 weight  0.10000E+01 volume -0.17800E+00 ppm1      3.514 ppm2      1.886
 ASSI (
     (segid "    " and resid "117 " and name "HA  ")
 )(
     (segid "    " and resid "157 " and name "HA  ")
  OR 
     (segid "    " and resid "148 " and name "HA  ")
  OR 
     (segid "    " and resid "85  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9847 weight  0.10000E+01 volume -0.18000E+00 ppm1      3.514 ppm2      3.755
 ASSI (
     (segid "    " and resid "117 " and name "HB  ")
 )(
     (segid "    " and resid "114 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9848 weight  0.10000E+01 volume  0.79000E+00 ppm1      2.058 ppm2      3.982
 ASSI (
     (segid "    " and resid "117 " and name "HB  ")
 )(
     (segid "    " and resid "156 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD23")
  OR 
     (segid "    " and resid "147 " and name "HD22")
  OR 
     (segid "    " and resid "147 " and name "HD21")
  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  9849 weight  0.10000E+01 volume  0.81800E+00 ppm1      2.068 ppm2      1.002
 ASSI (
     (segid "    " and resid "117 " and name "HB  ")
 )(
     (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  9850 weight  0.10000E+01 volume  0.65100E+00 ppm1      2.070 ppm2      1.189
 ASSI (
     (segid "    " and resid "117 " and name "HB  ")
 )(
     (segid "    " and resid "160 " and name "HG  ")
  OR 
     (segid "    " and resid "151 " and name "HG2 ")
  OR 
     (segid "    " and resid "144 " and name "HG1 ")
  OR 
     (segid "    " and resid "144 " and name "HB2 ")
  OR 
     (segid "    " and resid "128 " and name "HB1 ")
  OR 
     (segid "    " and resid "113 " and name "HB  ")
 )
      6.000     6.000     0.000 peak  9851 weight  0.10000E+01 volume  0.22300E+00 ppm1      2.104 ppm2      1.732
 ASSI (
     (segid "    " and resid "53  " and name "HB2 ")
 )(
     (segid "    " and resid "88  " and name "HD2 ")
  OR 
     (segid "    " and resid "88  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9852 weight  0.10000E+01 volume  0.15000E+00 ppm1      2.724 ppm2      7.434
 ASSI (
     (segid "    " and resid "53  " and name "HB1 ")
 )(
     (segid "    " and resid "88  " and name "HD2 ")
  OR 
     (segid "    " and resid "88  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9853 weight  0.10000E+01 volume  0.13500E+00 ppm1      2.830 ppm2      7.437
 ASSI (
     (segid "    " and resid "53  " and name "HB2 ")
 )(
     (segid "    " and resid "92  " and name "HB2 ")
  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 ")
 )
      6.000     6.000     0.000 peak  9854 weight  0.10000E+01 volume  0.19700E+00 ppm1      2.732 ppm2      1.337
 ASSI (
     (segid "    " and resid "130 " and name "HA  ")
 )(
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9855 weight  0.10000E+01 volume -0.20700E+00 ppm1      4.162 ppm2      1.130
 ASSI (
     (segid "    " and resid "130 " and name "HA  ")
 )(
     (segid "    " and resid "163 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9856 weight  0.10000E+01 volume -0.15300E+00 ppm1      4.170 ppm2      3.274
 ASSI (
     (segid "    " and resid "130 " and name "HA  ")
 )(
     (segid "    " and resid "167 " and name "HD2 ")
  OR 
     (segid "    " and resid "129 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9857 weight  0.10000E+01 volume -0.15200E+00 ppm1      4.155 ppm2      3.755
 ASSI (
     (segid "    " and resid "130 " and name "HA  ")
 )(
     (segid "    " and resid "167 " and name "HD1 ")
  OR 
     (segid "    " and resid "160 " and name "HA  ")
  OR 
     (segid "    " and resid "134 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9858 weight  0.10000E+01 volume -0.37000E+00 ppm1      4.154 ppm2      3.928
 ASSI (
     (segid "    " and resid "43  " and name "HB1 ")
 )(
     (segid "    " and resid "42  " and name "HD2 ")
  OR 
     (segid "    " and resid "42  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9859 weight  0.10000E+01 volume  0.13700E+00 ppm1      3.540 ppm2      2.959
 ASSI (
     (segid "    " and resid "166 " and name "HB  ")
 )(
     (segid "    " and resid "167 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak  9860 weight  0.10000E+01 volume  0.27100E+00 ppm1      1.911 ppm2      3.735
 ASSI (
     (segid "    " and resid "166 " and name "HB  ")
 )(
     (segid "    " and resid "167 " and name "HD1 ")
  OR 
     (segid "    " and resid "162 " and name "HA1 ")
 )
      6.000     6.000     0.000 peak  9861 weight  0.10000E+01 volume  0.20000E+00 ppm1      1.909 ppm2      3.942
 ASSI (
     (segid "    " and resid "78  " and name "HB2 ")
 )(
     (segid "    " and resid "104 " and name "HB3 ")
  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9862 weight  0.10000E+01 volume -0.24600E+00 ppm1      4.288 ppm2      1.334
 ASSI (
     (segid "    " and resid "133 " and name "HB2 ")
  OR 
     (segid "    " and resid "103 " and name "HB2 ")
 )(
     (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  9863 weight  0.10000E+01 volume  0.43200E+00 ppm1      2.574 ppm2      0.956
 ASSI (
     (segid "    " and resid "133 " and name "HB1 ")
  OR 
     (segid "    " and resid "103 " and name "HB1 ")
 )(
     (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  9864 weight  0.10000E+01 volume  0.28200E+00 ppm1      2.925 ppm2      1.190
 ASSI (
     (segid "    " and resid "133 " and name "HB1 ")
  OR 
     (segid "    " and resid "103 " and name "HB1 ")
 )(
     (segid "    " and resid "112 " and name "HG2 ")
  OR 
     (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 "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")
 )
      6.000     6.000     0.000 peak  9865 weight  0.10000E+01 volume  0.16000E+00 ppm1      2.944 ppm2      0.848
 ASSI (
     (segid "    " and resid "133 " and name "HB2 ")
  OR 
     (segid "    " and resid "103 " and name "HB2 ")
 )(
     (segid "    " and resid "133 " and name "HB1 ")
  OR 
     (segid "    " and resid "103 " and name "HB1 ")
 )
      2.700     2.700     0.000 peak  9866 weight  0.10000E+01 volume  0.47490E+01 ppm1      2.573 ppm2      2.938
 ASSI (
     (segid "    " and resid "133 " and name "HB1 ")
  OR 
     (segid "    " and resid "103 " and name "HB1 ")
 )(
     (segid "    " and resid "133 " and name "HB2 ")
  OR 
     (segid "    " and resid "103 " and name "HB2 ")
 )
      2.700     2.700     0.000 peak  9867 weight  0.10000E+01 volume  0.42180E+01 ppm1      2.945 ppm2      2.570
 ASSI (
     (segid "    " and resid "133 " and name "HB1 ")
  OR 
     (segid "    " and resid "103 " and name "HB1 ")
 )(
     (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  9868 weight  0.10000E+01 volume  0.56700E+00 ppm1      2.951 ppm2      0.962
 ASSI (
     (segid "    " and resid "78  " and name "HB1 ")
 )(
     (segid "    " and resid "112 " and name "HB2 ")
  OR 
     (segid "    " and resid "80  " and name "HB  ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9869 weight  0.10000E+01 volume -0.18900E+00 ppm1      4.448 ppm2      1.913
 ASSI (
     (segid "    " and resid "78  " and name "HB1 ")
 )(
     (segid "    " and resid "79  " and name "HG2 ")
  OR 
     (segid "    " and resid "79  " and name "HG1 ")
  OR 
     (segid "    " and resid "71  " and name "HB  ")
 )
      6.000     6.000     0.000 peak  9870 weight  0.10000E+01 volume -0.29100E+00 ppm1      4.448 ppm2      2.020
 ASSI (
     (segid "    " and resid "78  " and name "HB1 ")
 )(
     (segid "    " and resid "69  " and name "HG1 ")
  OR 
     (segid "    " and resid "49  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9871 weight  0.10000E+01 volume -0.19800E+00 ppm1      4.448 ppm2      2.100
 ASSI (
     (segid "    " and resid "78  " and name "HB2 ")
 )(
     (segid "    " and resid "72  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9872 weight  0.10000E+01 volume -0.15900E+00 ppm1      4.288 ppm2      5.009
 ASSI (
     (segid "    " and resid "78  " and name "HB2 ")
 )(
     (segid "    " and resid "81  " and name "HE1 ")
  OR 
     (segid "    " and resid "53  " and name "HZ  ")
 )
      6.000     6.000     0.000 peak  9873 weight  0.10000E+01 volume -0.89000E-01 ppm1      4.288 ppm2      7.464
 ASSI (
     (segid "    " and resid "78  " and name "HB2 ")
 )(
     (segid "    " and resid "79  " and name "HG2 ")
  OR 
     (segid "    " and resid "79  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9874 weight  0.10000E+01 volume -0.33700E+00 ppm1      4.279 ppm2      2.023
 ASSI (
     (segid "    " and resid "133 " and name "HB2 ")
  OR 
     (segid "    " and resid "103 " and name "HB2 ")
 )(
     (segid "    " and resid "112 " and name "HG2 ")
  OR 
     (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 "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")
 )
      6.000     6.000     0.000 peak  9875 weight  0.10000E+01 volume  0.16400E+00 ppm1      2.564 ppm2      0.843
 ASSI (
     (segid "    " and resid "133 " and name "HB2 ")
 )(
     (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  9876 weight  0.10000E+01 volume  0.28500E+00 ppm1      2.586 ppm2      1.196
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "13  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9877 weight  0.10000E+01 volume -0.15230E+01 ppm1      3.888 ppm2      1.913
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "13  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9878 weight  0.10000E+01 volume -0.14840E+01 ppm1      3.888 ppm2      1.967
 ASSI (
     (segid "    " and resid "132 " and name "HB2 ")
  OR 
     (segid "    " and resid "132 " and name "HB1 ")
 )(
     (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 "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")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )
      5.000     5.000     0.000 peak  9880 weight  0.10000E+01 volume -0.16010E+01 ppm1      3.514 ppm2      0.712
 ASSI (
     (segid "    " and resid "132 " and name "HB2 ")
  OR 
     (segid "    " and resid "132 " and name "HB1 ")
 )(
     (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  9881 weight  0.10000E+01 volume -0.61100E+00 ppm1      3.514 ppm2      0.899
 ASSI (
     (segid "    " and resid "132 " and name "HB2 ")
  OR 
     (segid "    " and resid "132 " and name "HB1 ")
 )(
     (segid "    " and resid "128 " and name "HB1 ")
  OR 
     (segid "    " and resid "113 " and name "HB  ")
 )
      6.000     6.000     0.000 peak  9882 weight  0.10000E+01 volume -0.16800E+00 ppm1      3.514 ppm2      1.700
 ASSI (
     (segid "    " and resid "159 " and name "HB  ")
 )(
     (segid "    " and resid "156 " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9883 weight  0.10000E+01 volume  0.47000E+00 ppm1      1.865 ppm2      4.149
 ASSI (
     (segid "    " and resid "124 " and name "HA  ")
 )(
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9884 weight  0.10000E+01 volume -0.20900E+00 ppm1      3.755 ppm2      7.144
 ASSI (
     (segid "    " and resid "159 " and name "HB  ")
 )(
     (segid "    " and resid "126 " and name "HB2 ")
  OR 
     (segid "    " and resid "126 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9885 weight  0.10000E+01 volume  0.18000E+00 ppm1      1.855 ppm2      3.889
 ASSI (
     (segid "    " and resid "159 " and name "HB  ")
 )(
     (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")
 )
      5.000     5.000     0.000 peak  9886 weight  0.10000E+01 volume  0.53700E+00 ppm1      1.866 ppm2      0.746
 ASSI (
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "91  " and name "HA  ")
 )(
     (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 "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
  OR 
     (segid "    " and resid "84  " and name "HB2 ")
  OR 
     (segid "    " and resid "84  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9887 weight  0.10000E+01 volume -0.12320E+01 ppm1      3.752 ppm2      1.459
 ASSI (
     (segid "    " and resid "124 " and name "HA  ")
 )(
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )
      6.000     6.000     0.000 peak  9888 weight  0.10000E+01 volume -0.20900E+00 ppm1      3.752 ppm2      7.135
 ASSI (
     (segid "    " and resid "124 " 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")
 )
      5.000     5.000     0.000 peak  9889 weight  0.10000E+01 volume -0.16870E+01 ppm1      3.753 ppm2      0.611
 ASSI (
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "91  " and name "HA  ")
 )(
     (segid "    " and resid "89  " and name "HG  ")
  OR 
     (segid "    " and resid "59  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9890 weight  0.10000E+01 volume -0.18220E+01 ppm1      3.765 ppm2      1.320
 ASSI (
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "91  " and name "HA  ")
 )(
     (segid "    " and resid "128 " and name "HB1 ")
  OR 
     (segid "    " and resid "93  " and name "HB2 ")
  OR 
     (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  9891 weight  0.10000E+01 volume -0.67600E+00 ppm1      3.757 ppm2      1.684
 ASSI (
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "91  " and name "HA  ")
 )(
     (segid "    " and resid "121 " and name "HB1 ")
  OR 
     (segid "    " and resid "54  " and name "HA2 ")
 )
      6.000     6.000     0.000 peak  9892 weight  0.10000E+01 volume -0.17900E+00 ppm1      3.750 ppm2      3.127
 ASSI (
     (segid "    " and resid "94  " and name "HA  ")
 )(
     (segid "    " and resid "93  " and name "HG2 ")
  OR 
     (segid "    " and resid "63  " and name "HD13")
  OR 
     (segid "    " and resid "63  " and name "HD12")
  OR 
     (segid "    " and resid "63  " and name "HD11")
 )
      6.000     6.000     0.000 peak  9893 weight  0.10000E+01 volume -0.18900E+00 ppm1      4.048 ppm2      0.659
 ASSI (
     (segid "    " and resid "94  " and name "HA  ")
 )(
     (segid "    " and resid "93  " and name "HB2 ")
  OR 
     (segid "    " and resid "92  " and name "HG  ")
 )
      6.000     6.000     0.000 peak  9894 weight  0.10000E+01 volume -0.20400E+00 ppm1      4.048 ppm2      1.673
 ASSI (
     (segid "    " and resid "94  " and name "HA  ")
 )(
     (segid "    " and resid "95  " and name "HG  ")
  OR 
     (segid "    " and resid "93  " and name "HB1 ")
  OR 
     (segid "    " and resid "60  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9895 weight  0.10000E+01 volume -0.27500E+00 ppm1      4.035 ppm2      1.753
 ASSI (
     (segid "    " and resid "132 " and name "HB2 ")
  OR 
     (segid "    " and resid "132 " and name "HB1 ")
 )(
     (segid "    " and resid "111 " and name "HG  ")
  OR 
     (segid "    " and resid "111 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9896 weight  0.10000E+01 volume -0.24500E+00 ppm1      3.514 ppm2      1.940
 ASSI (
     (segid "    " and resid "94  " and name "HA  ")
 )(
     (segid "    " and resid "97  " and name "HB2 ")
  OR 
     (segid "    " and resid "56  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9897 weight  0.10000E+01 volume -0.13400E+01 ppm1      4.045 ppm2      2.032
 ASSI (
     (segid "    " and resid "91  " and name "HA  ")
 )(
     (segid "    " and resid "94  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  9899 weight  0.10000E+01 volume -0.93100E+00 ppm1      3.758 ppm2      2.266
 ASSI (
     (segid "    " and resid "94  " and name "HA  ")
 )(
     (segid "    " and resid "97  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9900 weight  0.10000E+01 volume -0.38100E+00 ppm1      4.048 ppm2      2.394
 ASSI (
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "91  " and name "HA  ")
 )(
     (segid "    " and resid "93  " and name "HE2 ")
  OR 
     (segid "    " and resid "90  " and name "HB2 ")
  OR 
     (segid "    " and resid "87  " and name "HA2 ")
 )
      6.000     6.000     0.000 peak  9901 weight  0.10000E+01 volume -0.13000E+00 ppm1      3.755 ppm2      2.607
 ASSI (
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "91  " and name "HA  ")
 )(
     (segid "    " and resid "93  " and name "HE1 ")
  OR 
     (segid "    " and resid "90  " and name "HB1 ")
  OR 
     (segid "    " and resid "87  " and name "HA1 ")
  OR 
     (segid "    " and resid "53  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak  9902 weight  0.10000E+01 volume -0.90000E-01 ppm1      3.754 ppm2      2.754
 ASSI (
     (segid "    " and resid "94  " and name "HA  ")
 )(
     (segid "    " and resid "96  " and name "HA  ")
  OR 
     (segid "    " and resid "91  " and name "HA  ")
 )
      5.000     5.000     0.000 peak  9903 weight  0.10000E+01 volume -0.34800E+00 ppm1      4.048 ppm2      3.781
 ASSI (
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "91  " and name "HA  ")
 )(
     (segid "    " and resid "123 " and name "HB2 ")
  OR 
     (segid "    " and resid "123 " and name "HB1 ")
  OR 
     (segid "    " and resid "94  " and name "HA  ")
  OR 
     (segid "    " and resid "84  " and name "HA  ")
  OR 
     (segid "    " and resid "56  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak  9904 weight  0.10000E+01 volume -0.64300E+00 ppm1      3.755 ppm2      4.021
 ASSI (
     (segid "    " and resid "63  " and name "HB1 ")
 )(
     (segid "    " and resid "60  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9906 weight  0.10000E+01 volume  0.22500E+00 ppm1      1.219 ppm2      3.637
 ASSI (
     (segid "    " and resid "79  " and name "HA  ")
 )(
     (segid "    " and resid "82  " and name "HB1 ")
  OR 
     (segid "    " and resid "51  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9907 weight  0.10000E+01 volume -0.54500E+00 ppm1      4.746 ppm2      2.315
 ASSI (
     (segid "    " and resid "79  " and name "HA  ")
 )(
     (segid "    " and resid "53  " and name "HZ  ")
 )
      5.000     5.000     0.000 peak  9908 weight  0.10000E+01 volume -0.61500E+00 ppm1      4.731 ppm2      7.447
 ASSI (
     (segid "    " and resid "158 " and name "HB2 ")
 )(
     (segid "    " and resid "155 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9909 weight  0.10000E+01 volume  0.27900E+00 ppm1      2.671 ppm2      4.483
 ASSI (
     (segid "    " and resid "63  " and name "HB1 ")
 )(
     (segid "    " and resid "63  " and name "HD13")
  OR 
     (segid "    " and resid "63  " and name "HD12")
  OR 
     (segid "    " and resid "63  " and name "HD11")
 )
      5.000     5.000     0.000 peak  9910 weight  0.10000E+01 volume  0.54300E+00 ppm1      1.225 ppm2      0.642
 ASSI (
     (segid "    " and resid "63  " and name "HB1 ")
 )(
     (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 "62  " and name "HD22")
  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")
 )
      5.000     5.000     0.000 peak  9911 weight  0.10000E+01 volume  0.45100E+00 ppm1      1.217 ppm2      0.957
 ASSI (
     (segid "    " and resid "63  " and name "HB2 ")
 )(
     (segid "    " and resid "63  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak  9912 weight  0.10000E+01 volume  0.36500E+00 ppm1      0.874 ppm2      1.225
 ASSI (
     (segid "    " and resid "63  " and name "HB2 ")
 )(
     (segid "    " and resid "60  " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9913 weight  0.10000E+01 volume  0.17500E+00 ppm1      0.875 ppm2      3.639
 ASSI (
     (segid "    " and resid "144 " and name "HA  ")
 )(
     (segid "    " and resid "144 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9914 weight  0.10000E+01 volume -0.65900E+00 ppm1      3.690 ppm2      1.667
 ASSI (
     (segid "    " and resid "144 " and name "HA  ")
 )(
     (segid "    " and resid "164 " and name "HB2 ")
  OR 
     (segid "    " and resid "160 " and name "HB1 ")
  OR 
     (segid "    " and resid "156 " and name "HG  ")
  OR 
     (segid "    " and resid "149 " and name "HB2 ")
  OR 
     (segid "    " and resid "118 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak  9915 weight  0.10000E+01 volume -0.81100E+00 ppm1      3.680 ppm2      1.908
 ASSI (
     (segid "    " and resid "144 " and name "HA  ")
 )(
     (segid "    " and resid "147 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak  9916 weight  0.10000E+01 volume -0.42100E+00 ppm1      3.675 ppm2      1.536
 ASSI (
     (segid "    " and resid "144 " and name "HA  ")
 )(
     (segid "    " and resid "144 " and name "HG2 ")
 )
      5.000     5.000     0.000 peak  9917 weight  0.10000E+01 volume -0.53100E+00 ppm1      3.689 ppm2      0.537
 ASSI (
     (segid "    " and resid "144 " and name "HA  ")
 )(
     (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")
  OR 
     (segid "    " and resid "113 " and name "HG23")
  OR 
     (segid "    " and resid "113 " and name "HG22")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )
      5.000     5.000     0.000 peak  9918 weight  0.10000E+01 volume -0.13280E+01 ppm1      3.689 ppm2      0.759
 ASSI (
     (segid "    " and resid "144 " and name "HA  ")
 )(
     (segid "    " and resid "117 " and name "HD13")
  OR 
     (segid "    " and resid "117 " and name "HD12")
  OR 
     (segid "    " and resid "117 " and name "HD11")
 )
      3.300     3.300     0.000 peak  9919 weight  0.10000E+01 volume -0.20420E+01 ppm1      3.687 ppm2      0.897
 ASSI (
     (segid "    " and resid "112 " and name "HA  ")
 )(
     (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 "HG23")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )
      6.000     6.000     0.000 peak  9920 weight  0.10000E+01 volume -0.24000E+00 ppm1      4.146 ppm2      0.710
 ASSI (
     (segid "    " and resid "112 " and name "HA  ")
 )(
     (segid "    " and resid "128 " and name "HD23")
  OR 
     (segid "    " and resid "128 " and name "HD21")
  OR 
     (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 "HG11")
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      5.000     5.000     0.000 peak  9921 weight  0.10000E+01 volume -0.67100E+00 ppm1      4.131 ppm2      0.853
 ASSI (
     (segid "    " and resid "158 " and name "HB1 ")
 )(
     (segid "    " and resid "155 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9922 weight  0.10000E+01 volume  0.25600E+00 ppm1      2.800 ppm2      4.473
 ASSI (
     (segid "    " and resid "112 " and name "HA  ")
 )(
     (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  9923 weight  0.10000E+01 volume -0.83700E+00 ppm1      4.138 ppm2      1.232
 ASSI (
     (segid "    " and resid "127 " and name "HB1 ")
 )(
     (segid "    " and resid "124 " and name "HA  ")
 )
      6.000     6.000     0.000 peak  9924 weight  0.10000E+01 volume  0.94000E-01 ppm1      3.414 ppm2      3.752
 ASSI (
     (segid "    " and resid "127 " and name "HB2 ")
  OR 
     (segid "    " and resid "106 " and name "HB1 ")
 )(
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "77  " and name "HA  ")
  OR 
     (segid "    " and resid "76  " and name "HA2 ")
 )
      5.000     5.000     0.000 peak  9925 weight  0.10000E+01 volume  0.37900E+00 ppm1      2.932 ppm2      3.753
 ASSI (
     (segid "    " and resid "127 " and name "HB2 ")
 )(
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
 )
      6.000     6.000     0.000 peak  9926 weight  0.10000E+01 volume  0.14200E+00 ppm1      2.952 ppm2      0.827
 ASSI (
     (segid "    " and resid "127 " and name "HB2 ")
 )(
     (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 "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 
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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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 )(
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  OR 
     (segid "    " and resid "127 " and name "HE1 ")
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 ASSI (
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  OR 
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "80  " and name "HG13")
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 ASSI (
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 )(
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  OR 
     (segid "    " and resid "76  " and name "HA2 ")
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 ASSI (
     (segid "    " and resid "96  " and name "HA  ")
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "97  " and name "HB2 ")
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 ASSI (
     (segid "    " and resid "106 " and name "HB1 ")
 )(
     (segid "    " and resid "77  " and name "HA  ")
  OR 
     (segid "    " and resid "76  " and name "HA2 ")
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 ASSI (
     (segid "    " and resid "96  " and name "HA  ")
 )(
     (segid "    " and resid "95  " and name "HG  ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
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 ASSI (
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  OR 
     (segid "    " and resid "113 " and name "HD12")
  OR 
     (segid "    " and resid "113 " and name "HD11")
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  OR 
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  OR 
     (segid "    " and resid "129 " and name "HB1 ")
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 ASSI (
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  OR 
     (segid "    " and resid "113 " and name "HD12")
  OR 
     (segid "    " and resid "113 " 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 
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  OR 
     (segid "    " and resid "111 " and name "HG  ")
  OR 
     (segid "    " and resid "111 " and name "HB2 ")
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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 
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  OR 
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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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 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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 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 "132 " and name "HB1 ")
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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 
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 ASSI (
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 )(
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  OR 
     (segid "    " and resid "8   " and name "HG12")
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 ASSI (
     (segid "    " and resid "12  " and name "HB1 ")
 )(
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  OR 
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  OR 
     (segid "    " and resid "8   " and name "HG12")
  OR 
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 ASSI (
     (segid "    " and resid "12  " and name "HB1 ")
 )(
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  OR 
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  OR 
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 ASSI (
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 )(
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  OR 
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  OR 
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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")
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  OR 
     (segid "    " and resid "160 " and name "HD12")
  OR 
     (segid "    " and resid "160 " and name "HD11")
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 ASSI (
     (segid "    " and resid "156 " and name "HB2 ")
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  OR 
     (segid "    " and resid "153 " and name "HB2 ")
  OR 
     (segid "    " and resid "153 " and name "HB1 ")
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 ASSI (
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 )(
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  OR 
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  OR 
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 ASSI (
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 )(
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  OR 
     (segid "    " and resid "110 " and name "HA  ")
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 ASSI (
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 )(
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  OR 
     (segid "    " and resid "110 " and name "HA  ")
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 ASSI (
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  OR 
     (segid "    " and resid "159 " and name "HD12")
  OR 
     (segid "    " and resid "159 " 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 "159 " and name "HD12")
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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")
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  OR 
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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")
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  OR 
     (segid "    " and resid "154 " and name "HG1 ")
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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")
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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")
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 ASSI (
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  OR 
     (segid "    " and resid "159 " and name "HD12")
  OR 
     (segid "    " and resid "159 " and name "HD11")
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 ASSI (
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 )(
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      6.000     6.000     0.000 peak  9958 weight  0.10000E+01 volume  0.99000E-01 ppm1      1.625 ppm2      6.965
 ASSI (
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 )(
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  OR 
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 ASSI (
     (segid "    " and resid "82  " and name "HB1 ")
 )(
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 ASSI (
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 )(
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  OR 
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  OR 
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 ASSI (
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 )(
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 ASSI (
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  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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 ASSI (
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  OR 
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 ASSI (
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 )(
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 ASSI (
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  OR 
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 ASSI (
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 )(
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 ASSI (
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 ASSI (
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 ASSI (
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 ASSI (
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 )(
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 ASSI (
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 ASSI (
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      6.000     6.000     0.000 peak  9978 weight  0.10000E+01 volume -0.10300E+00 ppm1      4.209 ppm2      2.753
 ASSI (
     (segid "    " and resid "101 " and name "HB1 ")
 )(
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  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
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 ASSI (
     (segid "    " and resid "26  " and name "HA  ")
 )(
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 ASSI (
     (segid "    " and resid "125 " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
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  OR 
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  OR 
     (segid "    " and resid "14  " and name "HA  ")
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 ASSI (
     (segid "    " and resid "125 " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
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  OR 
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 ASSI (
     (segid "    " and resid "147 " and name "HB2 ")
 )(
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 )
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 ASSI (
     (segid "    " and resid "147 " and name "HB1 ")
 )(
     (segid "    " and resid "114 " and name "HD2 ")
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      6.000     6.000     0.000 peak  9984 weight  0.10000E+01 volume  0.60000E-01 ppm1      2.129 ppm2      6.935
 ASSI (
     (segid "    " and resid "147 " and name "HB2 ")
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  OR 
     (segid "    " and resid "114 " and name "HB1 ")
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 ASSI (
     (segid "    " and resid "147 " and name "HB1 ")
 )(
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  OR 
     (segid "    " and resid "147 " and name "HD12")
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 ASSI (
     (segid "    " and resid "147 " and name "HB1 ")
 )(
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 ASSI (
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 )(
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 ASSI (
     (segid "    " and resid "93  " and name "HE1 ")
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  OR 
     (segid "    " and resid "127 " and name "HE1 ")
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     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
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 ASSI (
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     (segid "    " and resid "145 " and name "HA  ")
  OR 
     (segid "    " and resid "134 " and name "HA  ")
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 ASSI (
     (segid "    " and resid "93  " and name "HE1 ")
 )(
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  OR 
     (segid "    " and resid "124 " and name "HG22")
  OR 
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  OR 
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  OR 
     (segid "    " and resid "124 " and name "HG12")
  OR 
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  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
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 ASSI (
     (segid "    " and resid "93  " and name "HE2 ")
 )(
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  OR 
     (segid "    " and resid "124 " and name "HG22")
  OR 
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  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
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 ASSI (
     (segid "    " and resid "93  " and name "HE2 ")
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  OR 
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  OR 
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  OR 
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 ASSI (
     (segid "    " and resid "93  " and name "HE2 ")
 )(
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 ASSI (
     (segid "    " and resid "64  " and name "HE2 ")
  OR 
     (segid "    " and resid "64  " and name "HE1 ")
 )(
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  OR 
     (segid "    " and resid "60  " and name "HD12")
  OR 
     (segid "    " and resid "60  " and name "HD11")
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 ASSI (
     (segid "    " and resid "64  " and name "HE2 ")
  OR 
     (segid "    " and resid "64  " and name "HE1 ")
 )(
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  OR 
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 ASSI (
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  OR 
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 ASSI (
     (segid "    " and resid "143 " and name "HB  ")
 )(
     (segid "    " and resid "144 " and name "HD2 ")
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 ASSI (
     (segid "    " and resid "143 " and name "HB  ")
 )(
     (segid "    " and resid "144 " and name "HD1 ")
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 ASSI (
     (segid "    " and resid "93  " and name "HE1 ")
 )(
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
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 ASSI (
     (segid "    " and resid "93  " and name "HE2 ")
 )(
     (segid "    " and resid "89  " and name "HD13")
  OR 
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
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 ASSI (
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  OR 
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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 "157 " and name "HE1 ")
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 ASSI (
     (segid "    " and resid "147 " and name "HB1 ")
  OR 
     (segid "    " and resid "92  " and name "HB1 ")
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  OR 
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 ASSI (
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 )(
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  OR 
     (segid "    " and resid "89  " and name "HD21")
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 ASSI (
     (segid "    " and resid "14  " and name "HB2 ")
 )(
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  OR 
     (segid "    " and resid "29  " and name "HD21")
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  OR 
     (segid "    " and resid "29  " and name "HD11")
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 ASSI (
     (segid "    " and resid "92  " and name "HB1 ")
 )(
     (segid "    " and resid "89  " and name "HA  ")
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 ASSI (
     (segid "    " and resid "92  " and name "HB2 ")
 )(
     (segid "    " and resid "89  " and name "HA  ")
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 ASSI (
     (segid "    " and resid "89  " and name "HB2 ")
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  OR 
     (segid "    " and resid "124 " and name "HG22")
  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
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 ASSI (
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 )(
     (segid "    " and resid "92  " and name "HB1 ")
  OR 
     (segid "    " and resid "56  " and name "HG2 ")
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 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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 ASSI (
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
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     (segid "    " and resid "129 " and name "HB1 ")
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  OR 
     (segid "    " and resid "29  " and name "HA  ")
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 ASSI (
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 )(
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  OR 
     (segid "    " and resid "114 " and name "HB1 ")
  OR 
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 ASSI (
     (segid "    " and resid "129 " and name "HB3 ")
  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
  OR 
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  OR 
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  OR 
     (segid "    " and resid "14  " and name "HD21")
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 ASSI (
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  OR 
     (segid "    " and resid "129 " and name "HB2 ")
  OR 
     (segid "    " and resid "129 " and name "HB1 ")
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 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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     (segid "    " and resid "160 " and name "HB1 ")
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 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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 ASSI (
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 )(
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 ASSI (
     (segid "    " and resid "60  " and name "HB2 ")
 )(
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 ASSI (
     (segid "    " and resid "60  " and name "HB1 ")
 )(
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 ASSI (
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  OR 
     (segid "    " and resid "113 " 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 
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  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "29  " and name "HB1 ")
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 ASSI (
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  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "45  " and name "HE1 ")
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 ASSI (
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 ASSI (
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  OR 
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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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     (segid "    " and resid "26  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10123 weight  0.10000E+01 volume -0.54000E+00 ppm1      1.508 ppm2      3.383
 ASSI (
     (segid "    " and resid "17  " and name "HB3 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )(
     (segid "    " and resid "22  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10124 weight  0.10000E+01 volume -0.10230E+01 ppm1      1.512 ppm2      2.439
 ASSI (
     (segid "    " and resid "17  " and name "HB3 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )(
     (segid "    " and resid "22  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10125 weight  0.10000E+01 volume -0.58200E+00 ppm1      1.512 ppm2      3.073
 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 "25  " and name "HA  ")
  OR 
     (segid "    " and resid "12  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10126 weight  0.10000E+01 volume -0.28800E+00 ppm1      1.513 ppm2      4.634
 ASSI (
     (segid "    " and resid "46  " 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")
  OR 
     (segid "    " and resid "48  " and name "HD13")
 )
      6.000     6.000     0.000 peak 10127 weight  0.10000E+01 volume -0.12200E+00 ppm1      4.929 ppm2      0.819
 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 "20  " and name "HD2 ")
  OR 
     (segid "    " and resid "13  " and name "HD2 ")
  OR 
     (segid "    " and resid "13  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak 10128 weight  0.10000E+01 volume -0.13600E+00 ppm1      1.513 ppm2      3.221
 ASSI (
     (segid "    " and resid "87  " and name "HA1 ")
 )(
     (segid "    " and resid "121 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10129 weight  0.10000E+01 volume  0.11900E+00 ppm1      2.768 ppm2      3.147
 ASSI (
     (segid "    " and resid "66  " and name "HA2 ")
 )(
     (segid "    " and resid "37  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak 10130 weight  0.10000E+01 volume  0.14500E+00 ppm1      3.780 ppm2      1.404
 ASSI (
     (segid "    " and resid "18  " and name "HB2 ")
  OR 
     (segid "    " and resid "18  " and name "HB1 ")
 )(
     (segid "    " and resid "51  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10131 weight  0.10000E+01 volume -0.88500E+00 ppm1      1.326 ppm2      2.324
 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 "52  " and name "HG2 ")
  OR 
     (segid "    " and resid "52  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10132 weight  0.10000E+01 volume -0.28400E+00 ppm1      1.326 ppm2      2.515
 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 "52  " and name "HA  ")
  OR 
     (segid "    " and resid "21  " and name "HA1 ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10133 weight  0.10000E+01 volume -0.77100E+00 ppm1      1.326 ppm2      4.288
 ASSI (
     (segid "    " and resid "66  " and name "HA1 ")
 )(
     (segid "    " and resid "37  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak 10134 weight  0.10000E+01 volume  0.10700E+00 ppm1      4.395 ppm2      1.386
 ASSI (
     (segid "    " and resid "54  " and name "HA2 ")
 )(
     (segid "    " and resid "88  " and name "HD2 ")
  OR 
     (segid "    " and resid "88  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak 10136 weight  0.10000E+01 volume  0.29300E+00 ppm1      3.154 ppm2      7.434
 ASSI (
     (segid "    " and resid "141 " and name "HA1 ")
 )(
     (segid "    " and resid "143 " and name "HG21")
  OR 
     (segid "    " and resid "137 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 10137 weight  0.10000E+01 volume  0.26900E+00 ppm1      4.314 ppm2      1.251
 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 "49  " and name "HB2 ")
  OR 
     (segid "    " and resid "14  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10138 weight  0.10000E+01 volume -0.69800E+00 ppm1      1.273 ppm2      2.100
 ASSI (
     (segid "    " and resid "39  " and name "HB3 ")
  OR 
     (segid "    " and resid "39  " and name "HB1 ")
 )(
     (segid "    " and resid "10  " and name "HB  ")
 )
      5.000     5.000     0.000 peak 10139 weight  0.10000E+01 volume -0.69500E+00 ppm1      1.386 ppm2      2.283
 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 "46  " and name "HA  ")
  OR 
     (segid "    " and resid "9   " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10142 weight  0.10000E+01 volume -0.16700E+00 ppm1      1.390 ppm2      4.758
 ASSI (
     (segid "    " and resid "141 " and name "HA2 ")
 )(
     (segid "    " and resid "142 " and name "HG  ")
  OR 
     (segid "    " and resid "137 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10143 weight  0.10000E+01 volume  0.20600E+00 ppm1      3.697 ppm2      1.540
 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 "HG  ")
  OR 
     (segid "    " and resid "37  " and name "HG1 ")
  OR 
     (segid "    " and resid "37  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10144 weight  0.10000E+01 volume -0.96000E+00 ppm1      1.263 ppm2      1.695
 ASSI (
     (segid "    " and resid "141 " and name "HA1 ")
 )(
     (segid "    " and resid "137 " and name "HD2 ")
  OR 
     (segid "    " and resid "137 " and name "HD1 ")
 )
      6.000     6.000     0.000 peak 10145 weight  0.10000E+01 volume  0.23600E+00 ppm1      4.318 ppm2      3.163
 ASSI (
     (segid "    " and resid "141 " and name "HA2 ")
 )(
     (segid "    " and resid "143 " and name "HG23")
  OR 
     (segid "    " and resid "143 " and name "HG22")
  OR 
     (segid "    " and resid "137 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10146 weight  0.10000E+01 volume  0.36400E+00 ppm1      3.707 ppm2      1.269
 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 "HB1 ")
 )
      5.000     5.000     0.000 peak 10147 weight  0.10000E+01 volume -0.53500E+00 ppm1      0.846 ppm2      1.564
 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 "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 10148 weight  0.10000E+01 volume -0.10370E+01 ppm1      0.846 ppm2      1.193
 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 "79  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10149 weight  0.10000E+01 volume -0.21200E+00 ppm1      0.844 ppm2      2.458
 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 "68  " and name "HB2 ")
  OR 
     (segid "    " and resid "68  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10151 weight  0.10000E+01 volume -0.99700E+00 ppm1      0.841 ppm2      3.955
 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 "75  " and name "HA  ")
  OR 
     (segid "    " and resid "50  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10152 weight  0.10000E+01 volume -0.24800E+00 ppm1      1.543 ppm2      4.659
 ASSI (
     (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 "62  " and name "HD13")
  OR 
     (segid "    " and resid "62  " and name "HD12")
  OR 
     (segid "    " and resid "62  " and name "HD11")
  OR 
     (segid "    " and resid "40  " and name "HD22")
  OR 
     (segid "    " and resid "40  " and name "HD21")
 )
      5.000     5.000     0.000 peak 10153 weight  0.10000E+01 volume -0.45200E+00 ppm1      1.540 ppm2      0.712
 ASSI (
     (segid "    " and resid "105 " and name "HB2 ")
  OR 
     (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 "105 " and name "HG  ")
  OR 
     (segid "    " and resid "62  " and name "HG  ")
  OR 
     (segid "    " and resid "37  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10155 weight  0.10000E+01 volume -0.66400E+00 ppm1      1.273 ppm2      1.700
 ASSI (
     (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 "52  " and name "HB2 ")
  OR 
     (segid "    " and resid "20  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10156 weight  0.10000E+01 volume -0.81000E+00 ppm1      1.540 ppm2      1.886
 ASSI (
     (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 "20  " and name "HG1 ")
  OR 
     (segid "    " and resid "20  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10157 weight  0.10000E+01 volume -0.87300E+00 ppm1      1.540 ppm2      1.967
 ASSI (
     (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 "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 10158 weight  0.10000E+01 volume -0.42700E+00 ppm1      1.540 ppm2      2.100
 ASSI (
     (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 "50  " and name "HB  ")
 )
      5.000     5.000     0.000 peak 10159 weight  0.10000E+01 volume -0.46800E+00 ppm1      1.555 ppm2      2.517
 ASSI (
     (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 "20  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10160 weight  0.10000E+01 volume -0.33900E+00 ppm1      1.540 ppm2      4.502
 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 "79  " and name "HA  ")
  OR 
     (segid "    " and resid "68  " and name "HA  ")
  OR 
     (segid "    " and resid "46  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10161 weight  0.10000E+01 volume -0.17700E+00 ppm1      0.845 ppm2      4.751
 ASSI (
     (segid "    " and resid "141 " and name "HA2 ")
 )(
     (segid "    " and resid "137 " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10162 weight  0.10000E+01 volume  0.16300E+00 ppm1      3.692 ppm2      1.695
 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 "HZ  ")
 )
      6.000     6.000     0.000 peak 10163 weight  0.10000E+01 volume -0.19000E+00 ppm1      1.691 ppm2      7.443
 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 "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak 10164 weight  0.10000E+01 volume -0.45200E+00 ppm1      1.687 ppm2      7.310
 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 "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 "48  " and name "HG  ")
  OR 
     (segid "    " and resid "42  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10165 weight  0.10000E+01 volume -0.44600E+00 ppm1      0.926 ppm2      1.700
 ASSI (
     (segid "    " and resid "76  " and name "HA1 ")
 )(
     (segid "    " and resid "106 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10166 weight  0.10000E+01 volume  0.23300E+00 ppm1      4.232 ppm2      4.912
 ASSI (
     (segid "    " and resid "76  " and name "HA2 ")
 )(
     (segid "    " and resid "72  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 10167 weight  0.10000E+01 volume  0.23600E+00 ppm1      3.784 ppm2      1.823
 ASSI (
     (segid "    " and resid "76  " and name "HA1 ")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10168 weight  0.10000E+01 volume  0.18700E+00 ppm1      4.224 ppm2      1.977
 ASSI (
     (segid "    " and resid "76  " and name "HA1 ")
 )(
     (segid "    " and resid "72  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 10169 weight  0.10000E+01 volume  0.14900E+00 ppm1      4.235 ppm2      1.844
 ASSI (
     (segid "    " and resid "76  " and name "HA2 ")
 )(
     (segid "    " and resid "106 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10170 weight  0.10000E+01 volume  0.18400E+00 ppm1      3.789 ppm2      4.905
 ASSI (
     (segid "    " and resid "76  " and name "HA2 ")
 )(
     (segid "    " and resid "72  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10171 weight  0.10000E+01 volume  0.30300E+00 ppm1      3.782 ppm2      1.967
 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 "61  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
  OR 
     (segid "    " and resid "56  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10173 weight  0.10000E+01 volume -0.10610E+01 ppm1      1.445 ppm2      2.051
 ASSI (
     (segid "    " and resid "105 " and name "HB1 ")
 )(
     (segid "    " and resid "109 " and name "HA2 ")
 )
      6.000     6.000     0.000 peak 10174 weight  0.10000E+01 volume  0.92000E-01 ppm1      1.822 ppm2      3.806
 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 "60  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10175 weight  0.10000E+01 volume -0.67200E+00 ppm1      1.446 ppm2      1.798
 ASSI (
     (segid "    " and resid "50  " and name "HG23")
  OR 
     (segid "    " and resid "50  " and name "HG21")
 )(
     (segid "    " and resid "45  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10176 weight  0.10000E+01 volume -0.52800E+00 ppm1      0.908 ppm2      1.919
 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 "51  " and name "HB2 ")
  OR 
     (segid "    " and resid "45  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak 10177 weight  0.10000E+01 volume -0.13020E+01 ppm1      0.926 ppm2      1.459
 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 "45  " and name "HB2 ")
  OR 
     (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 10178 weight  0.10000E+01 volume -0.16870E+01 ppm1      0.925 ppm2      1.552
 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 "47  " and name "HA  ")
  OR 
     (segid "    " and resid "15  " and name "HB2 ")
  OR 
     (segid "    " and resid "15  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak 10180 weight  0.10000E+01 volume -0.32460E+01 ppm1      0.926 ppm2      4.021
 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 "49  " and name "HA  ")
  OR 
     (segid "    " and resid "17  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10181 weight  0.10000E+01 volume -0.15060E+01 ppm1      0.926 ppm2      4.155
 ASSI (
     (segid "    " and resid "50  " and name "HG23")
  OR 
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  OR 
     (segid "    " and resid "50  " and name "HG21")
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 ASSI (
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 )(
     (segid "    " and resid "40  " and name "HG  ")
  OR 
     (segid "    " and resid "40  " and name "HB1 ")
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 ASSI (
     (segid "    " and resid "44  " and name "HA1 ")
 )(
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  OR 
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  OR 
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 ASSI (
     (segid "    " and resid "44  " and name "HA1 ")
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 ASSI (
     (segid "    " and resid "44  " and name "HA2 ")
 )(
     (segid "    " and resid "40  " and name "HD23")
  OR 
     (segid "    " and resid "40  " and name "HD21")
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 ASSI (
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  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "84  " and name "HB1 ")
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  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
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  OR 
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  OR 
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 ASSI (
     (segid "    " and resid "104 " and name "HB3 ")
  OR 
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  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
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  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
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  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
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  OR 
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  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "120 " and name "HA1 ")
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  OR 
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  OR 
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 ASSI (
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 )(
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  OR 
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 ASSI (
     (segid "    " and resid "44  " and name "HA2 ")
 )(
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  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
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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 
     (segid "    " and resid "116 " and name "HB2 ")
  OR 
     (segid "    " and resid "116 " and name "HB1 ")
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  OR 
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  OR 
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 ASSI (
     (segid "    " and resid "116 " and name "HB3 ")
  OR 
     (segid "    " and resid "116 " and name "HB2 ")
  OR 
     (segid "    " and resid "116 " and name "HB1 ")
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  OR 
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  OR 
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 ASSI (
     (segid "    " and resid "116 " and name "HB3 ")
  OR 
     (segid "    " and resid "116 " and name "HB2 ")
  OR 
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  OR 
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 ASSI (
     (segid "    " and resid "116 " and name "HB3 ")
  OR 
     (segid "    " and resid "116 " and name "HB2 ")
  OR 
     (segid "    " and resid "116 " and name "HB1 ")
 )(
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 ASSI (
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 )(
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 ASSI (
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  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "156 " and name "HD21")
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 ASSI (
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  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
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     (segid "    " and resid "105 " and name "HD22")
  OR 
     (segid "    " and resid "105 " and name "HD21")
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 ASSI (
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  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
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  OR 
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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 "116 " and name "HB1 ")
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 ASSI (
     (segid "    " and resid "116 " and name "HB3 ")
  OR 
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  OR 
     (segid "    " and resid "116 " and name "HB1 ")
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 ASSI (
     (segid "    " and resid "116 " and name "HB3 ")
  OR 
     (segid "    " and resid "116 " and name "HB2 ")
  OR 
     (segid "    " and resid "116 " and name "HB1 ")
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 ASSI (
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  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
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  OR 
     (segid "    " and resid "105 " and name "HA  ")
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 ASSI (
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  OR 
     (segid "    " and resid "11  " and name "HA1 ")
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  OR 
     (segid "    " and resid "8   " and name "HG12")
  OR 
     (segid "    " and resid "8   " and name "HG11")
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 ASSI (
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "8   " and name "HG11")
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 ASSI (
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  OR 
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  OR 
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  OR 
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 ASSI (
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 ASSI (
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  OR 
     (segid "    " and resid "102 " and name "HG12")
  OR 
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  OR 
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  OR 
     (segid "    " and resid "96  " and name "HG11")
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 ASSI (
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  OR 
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     (segid "    " and resid "102 " and name "HG11")
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  OR 
     (segid "    " and resid "102 " and name "HG12")
  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "102 " and name "HG11")
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 ASSI (
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  OR 
     (segid "    " and resid "102 " and name "HG12")
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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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  OR 
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 ASSI (
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  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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 ASSI (
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  OR 
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  OR 
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  OR 
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  OR 
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 ASSI (
     (segid "    " and resid "23  " and name "HG23")
  OR 
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  OR 
     (segid "    " and resid "23  " and name "HG21")
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "67  " and name "HB2 ")
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  OR 
     (segid "    " and resid "38  " and name "HA  ")
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 ASSI (
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  OR 
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
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  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
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  OR 
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  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
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  OR 
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "100 " and name "HB1 ")
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  OR 
     (segid "    " and resid "67  " and name "HB1 ")
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  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "125 " and name "HG21")
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "96  " and name "HG11")
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  OR 
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 ASSI (
     (segid "    " and resid "125 " and name "HG23")
  OR 
     (segid "    " and resid "125 " and name "HG22")
  OR 
     (segid "    " and resid "125 " and name "HG21")
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  OR 
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 ASSI (
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "128 " and name "HD12")
  OR 
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 ASSI (
     (segid "    " and resid "96  " and name "HG13")
  OR 
     (segid "    " and resid "96  " and name "HG12")
  OR 
     (segid "    " and resid "96  " and name "HG11")
 )(
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "125 " and name "HG21")
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 ASSI (
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  OR 
     (segid "    " and resid "8   " and name "HG11")
 )(
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 ASSI (
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  OR 
     (segid "    " and resid "71  " and name "HG22")
  OR 
     (segid "    " and resid "71  " and name "HG21")
 )(
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  OR 
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  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "26  " and name "HG22")
  OR 
     (segid "    " and resid "26  " and name "HG21")
 )(
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  OR 
     (segid "    " and resid "27  " and name "HA  ")
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 ASSI (
     (segid "    " and resid "26  " and name "HG23")
  OR 
     (segid "    " and resid "26  " and name "HG22")
  OR 
     (segid "    " and resid "26  " and name "HG21")
 )(
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 ASSI (
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  OR 
     (segid "    " and resid "10  " and name "HG12")
  OR 
     (segid "    " and resid "10  " and name "HG11")
 )(
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 ASSI (
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  OR 
     (segid "    " and resid "10  " and name "HG12")
  OR 
     (segid "    " and resid "10  " and name "HG11")
 )(
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 ASSI (
     (segid "    " and resid "10  " and name "HG13")
  OR 
     (segid "    " and resid "10  " and name "HG12")
 )(
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 ASSI (
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  OR 
     (segid "    " and resid "80  " and name "HG22")
  OR 
     (segid "    " and resid "80  " and name "HG21")
  OR 
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  OR 
     (segid "    " and resid "50  " and name "HG12")
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  OR 
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  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "86  " and name "HG22")
  OR 
     (segid "    " and resid "86  " and name "HG21")
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "80  " and name "HG11")
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "86  " and name "HG21")
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 ASSI (
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  OR 
     (segid "    " and resid "86  " and name "HG22")
  OR 
     (segid "    " and resid "86  " and name "HG21")
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 ASSI (
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  OR 
     (segid "    " and resid "86  " and name "HG22")
  OR 
     (segid "    " and resid "86  " and name "HG21")
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 ASSI (
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  OR 
     (segid "    " and resid "86  " and name "HG22")
  OR 
     (segid "    " and resid "86  " and name "HG21")
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 ASSI (
     (segid "    " and resid "86  " and name "HG23")
  OR 
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  OR 
     (segid "    " and resid "86  " and name "HG21")
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 ASSI (
     (segid "    " and resid "86  " and name "HG23")
  OR 
     (segid "    " and resid "86  " and name "HG22")
  OR 
     (segid "    " and resid "86  " and name "HG21")
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  OR 
     (segid "    " and resid "88  " and name "HD1 ")
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 ASSI (
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  OR 
     (segid "    " and resid "86  " and name "HG22")
  OR 
     (segid "    " and resid "86  " and name "HG21")
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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 
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  OR 
     (segid "    " and resid "128 " and name "HD12")
  OR 
     (segid "    " and resid "128 " and name "HD11")
  OR 
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  OR 
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  OR 
     (segid "    " and resid "113 " and name "HG22")
  OR 
     (segid "    " and resid "113 " and name "HG21")
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 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")
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 ASSI (
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 )(
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 ASSI (
     (segid "    " and resid "112 " and name "HD1 ")
 )(
     (segid "    " and resid "111 " and name "HG  ")
  OR 
     (segid "    " and resid "111 " and name "HB2 ")
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 ASSI (
     (segid "    " and resid "112 " and name "HD1 ")
 )(
     (segid "    " and resid "111 " and name "HB1 ")
 )
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 ASSI (
     (segid "    " and resid "144 " and name "HD1 ")
 )(
     (segid "    " and resid "144 " and name "HD2 ")
 )
      5.000     5.000     0.000 peak 10302 weight  0.10000E+01 volume  0.50100E+00 ppm1      4.304 ppm2      3.712
 ASSI (
     (segid "    " and resid "144 " and name "HD2 ")
 )(
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  OR 
     (segid "    " and resid "143 " and name "HG22")
  OR 
     (segid "    " and resid "143 " and name "HG21")
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 ASSI (
     (segid "    " and resid "144 " and name "HD2 ")
 )(
     (segid "    " and resid "145 " and name "HB1 ")
  OR 
     (segid "    " and resid "144 " and name "HB2 ")
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 ASSI (
     (segid "    " and resid "144 " and name "HD2 ")
 )(
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  OR 
     (segid "    " and resid "145 " and name "HD12")
  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "117 " and name "HD12")
  OR 
     (segid "    " and resid "117 " and name "HD11")
  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "94  " and name "HG11")
  OR 
     (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 "HG  ")
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 ASSI (
     (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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 ASSI (
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  OR 
     (segid "    " and resid "143 " and name "HG22")
  OR 
     (segid "    " and resid "143 " and name "HG21")
 )(
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 ASSI (
     (segid "    " and resid "143 " and name "HG23")
  OR 
     (segid "    " and resid "143 " and name "HG22")
  OR 
     (segid "    " and resid "143 " and name "HG21")
 )(
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  OR 
     (segid "    " and resid "137 " and name "HD1 ")
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 ASSI (
     (segid "    " and resid "77  " and name "HG23")
  OR 
     (segid "    " and resid "77  " and name "HG22")
  OR 
     (segid "    " and resid "77  " and name "HG21")
 )(
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 )
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 ASSI (
     (segid "    " and resid "134 " and name "HD23")
  OR 
     (segid "    " and resid "134 " and name "HD22")
  OR 
     (segid "    " and resid "134 " and name "HD21")
 )(
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  OR 
     (segid "    " and resid "132 " and name "HB1 ")
  OR 
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 )
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 ASSI (
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  OR 
     (segid "    " and resid "156 " and name "HD22")
  OR 
     (segid "    " and resid "156 " and name "HD21")
  OR 
     (segid "    " and resid "134 " and name "HD21")
 )(
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  OR 
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  OR 
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 )
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 ASSI (
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  OR 
     (segid "    " and resid "102 " and name "HG22")
  OR 
     (segid "    " and resid "102 " 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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  OR 
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
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 ASSI (
     (segid "    " and resid "102 " and name "HG23")
  OR 
     (segid "    " and resid "102 " and name "HG22")
  OR 
     (segid "    " and resid "102 " and name "HG21")
  OR 
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  OR 
     (segid "    " and resid "80  " and name "HG11")
  OR 
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  OR 
     (segid "    " and resid "34  " and name "HD22")
  OR 
     (segid "    " and resid "34  " and name "HD21")
 )(
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  OR 
     (segid "    " and resid "32  " and name "HA  ")
  OR 
     (segid "    " and resid "31  " and name "HA  ")
 )
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 ASSI (
     (segid "    " and resid "63  " and name "HD23")
  OR 
     (segid "    " and resid "63  " and name "HD22")
  OR 
     (segid "    " and resid "63  " and name "HD21")
 )(
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 )
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 ASSI (
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD22")
 )(
     (segid "    " and resid "37  " and name "HD1 ")
 )
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 ASSI (
     (segid "    " and resid "37  " and name "HD1 ")
 )(
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD22")
 )
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 ASSI (
     (segid "    " and resid "37  " and name "HD2 ")
 )(
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD22")
  OR 
     (segid "    " and resid "30  " and name "HD21")
 )
      6.000     6.000     0.000 peak 10320 weight  0.10000E+01 volume  0.18900E+00 ppm1      2.552 ppm2      0.756
 ASSI (
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  OR 
     (segid "    " and resid "147 " and name "HD22")
  OR 
     (segid "    " and resid "147 " and name "HD21")
 )(
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 )
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 ASSI (
     (segid "    " and resid "147 " and name "HD23")
  OR 
     (segid "    " and resid "147 " and name "HD22")
  OR 
     (segid "    " and resid "147 " and name "HD21")
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  OR 
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 ASSI (
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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 (
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
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  OR 
     (segid "    " and resid "97  " and name "HG1 ")
 )
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 ASSI (
     (segid "    " and resid "26  " and name "HG13")
  OR 
     (segid "    " and resid "26  " and name "HG12")
  OR 
     (segid "    " and resid "26  " and name "HG11")
  OR 
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  OR 
     (segid "    " and resid "23  " and name "HG11")
 )(
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  OR 
     (segid "    " and resid "27  " and name "HD1 ")
  OR 
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 ASSI (
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 )(
     (segid "    " and resid "127 " and name "HB2 ")
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      6.000     6.000     0.000 peak 10328 weight  0.10000E+01 volume -0.12200E+00 ppm1      7.325 ppm2      2.935
 ASSI (
     (segid "    " and resid "89  " and name "HD23")
  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
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  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
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 ASSI (
     (segid "    " and resid "130 " and name "HD1 ")
 )(
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  OR 
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  OR 
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 ASSI (
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 )(
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  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "160 " and name "HD21")
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 ASSI (
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  OR 
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  OR 
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 ASSI (
     (segid "    " and resid "160 " and name "HD23")
  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
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 ASSI (
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  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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 ASSI (
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  OR 
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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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      5.000     5.000     0.000 peak 10399 weight  0.10000E+01 volume  0.41800E+00 ppm1      4.150 ppm2      1.839
 ASSI (
     (segid "    " and resid "104 " and name "HA  ")
 )(
     (segid "    " and resid "105 " and name "HG  ")
 )
      5.000     5.000     0.000 peak 10400 weight  0.10000E+01 volume  0.61400E+00 ppm1      4.156 ppm2      1.665
 ASSI (
     (segid "    " and resid "30  " and name "HG  ")
 )(
     (segid "    " and resid "27  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10401 weight  0.10000E+01 volume -0.11500E+00 ppm1      1.961 ppm2      3.654
 ASSI (
     (segid "    " and resid "104 " and name "HA  ")
 )(
     (segid "    " and resid "105 " and name "HD13")
  OR 
     (segid "    " and resid "105 " and name "HD12")
  OR 
     (segid "    " and resid "105 " and name "HD11")
 )
      5.000     5.000     0.000 peak 10402 weight  0.10000E+01 volume  0.41900E+00 ppm1      4.151 ppm2      0.840
 ASSI (
     (segid "    " and resid "100 " and name "HA  ")
 )(
     (segid "    " and resid "69  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10403 weight  0.10000E+01 volume  0.55300E+00 ppm1      4.230 ppm2      1.921
 ASSI (
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )(
     (segid "    " and resid "79  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10404 weight  0.10000E+01 volume -0.10800E+00 ppm1      7.311 ppm2      2.448
 ASSI (
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )(
     (segid "    " and resid "96  " and name "HA  ")
  OR 
     (segid "    " and resid "83  " and name "HA  ")
  OR 
     (segid "    " and resid "48  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10405 weight  0.10000E+01 volume -0.11100E+00 ppm1      7.313 ppm2      3.784
 ASSI (
     (segid "    " and resid "100 " and name "HA  ")
 )(
     (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 "HG11")
  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 "63  " and name "HD23")
  OR 
     (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 10406 weight  0.10000E+01 volume  0.75600E+00 ppm1      4.215 ppm2      0.834
 ASSI (
     (segid "    " and resid "100 " and name "HA  ")
 )(
     (segid "    " and resid "96  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10407 weight  0.10000E+01 volume  0.19600E+00 ppm1      4.232 ppm2      3.771
 ASSI (
     (segid "    " and resid "100 " and name "HA  ")
 )(
     (segid "    " and resid "69  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10408 weight  0.10000E+01 volume  0.80200E+00 ppm1      4.231 ppm2      1.701
 ASSI (
     (segid "    " and resid "69  " and name "HG1 ")
 )(
     (segid "    " and resid "63  " and name "HD23")
  OR 
     (segid "    " and resid "63  " and name "HD22")
  OR 
     (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 10409 weight  0.10000E+01 volume -0.80300E+00 ppm1      2.118 ppm2      0.830
 ASSI (
     (segid "    " and resid "69  " and name "HG2 ")
 )(
     (segid "    " and resid "68  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10410 weight  0.10000E+01 volume -0.19700E+00 ppm1      1.833 ppm2      4.756
 ASSI (
     (segid "    " and resid "69  " and name "HG1 ")
 )(
     (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 "95  " and name "HB2 ")
 )
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 ASSI (
     (segid "    " and resid "67  " and name "HA  ")
 )(
     (segid "    " and resid "38  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HD2 ")
 )
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 ASSI (
     (segid "    " and resid "88  " and name "HD2 ")
  OR 
     (segid "    " and resid "88  " and name "HD1 ")
 )(
     (segid "    " and resid "53  " and name "HB1 ")
 )
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 ASSI (
     (segid "    " and resid "160 " and name "HD13")
  OR 
     (segid "    " and resid "160 " and name "HD12")
  OR 
     (segid "    " and resid "160 " and name "HD11")
 )(
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  OR 
     (segid "    " and resid "132 " and name "HB1 ")
  OR 
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  OR 
     (segid "    " and resid "120 " and name "HA2 ")
  OR 
     (segid "    " and resid "117 " and name "HA  ")
 )
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 ASSI (
     (segid "    " and resid "69  " and name "HG2 ")
 )(
     (segid "    " and resid "95  " and name "HA  ")
  OR 
     (segid "    " and resid "68  " and name "HB1 ")
  OR 
     (segid "    " and resid "63  " and name "HA  ")
 )
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 ASSI (
     (segid "    " and resid "67  " and name "HA  ")
 )(
     (segid "    " and resid "66  " and name "HA2 ")
  OR 
     (segid "    " and resid "62  " and name "HA  ")
  OR 
     (segid "    " and resid "48  " and name "HA  ")
 )
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 ASSI (
     (segid "    " and resid "67  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HG2 ")
 )
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 ASSI (
     (segid "    " and resid "67  " and name "HA  ")
 )(
     (segid "    " and resid "37  " and name "HG1 ")
  OR 
     (segid "    " and resid "37  " and name "HB2 ")
 )
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 ASSI (
     (segid "    " and resid "67  " and name "HA  ")
 )(
     (segid "    " and resid "37  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10419 weight  0.10000E+01 volume  0.44900E+00 ppm1      4.020 ppm2      1.947
 ASSI (
     (segid "    " and resid "88  " and name "HD2 ")
  OR 
     (segid "    " and resid "88  " and name "HD1 ")
 )(
     (segid "    " and resid "86  " and name "HB  ")
 )
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 ASSI (
     (segid "    " and resid "88  " and name "HD2 ")
  OR 
     (segid "    " and resid "88  " and name "HD1 ")
 )(
     (segid "    " and resid "83  " and name "HA  ")
 )
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 ASSI (
     (segid "    " and resid "88  " and name "HD2 ")
  OR 
     (segid "    " and resid "88  " and name "HD1 ")
 )(
     (segid "    " and resid "54  " and name "HA2 ")
  OR 
     (segid "    " and resid "54  " and name "HA1 ")
 )
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 ASSI (
     (segid "    " and resid "88  " and name "HD2 ")
  OR 
     (segid "    " and resid "88  " and name "HD1 ")
 )(
     (segid "    " and resid "53  " and name "HB2 ")
 )
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 ASSI (
     (segid "    " and resid "88  " and name "HD2 ")
  OR 
     (segid "    " and resid "88  " and name "HD1 ")
 )(
     (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 ")
 )
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 ASSI (
     (segid "    " and resid "67  " and name "HA  ")
 )(
     (segid "    " and resid "66  " and name "HA1 ")
  OR 
     (segid "    " and resid "36  " and name "HA  ")
 )
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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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 )
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 ASSI (
     (segid "    " and resid "138 " and name "HA  ")
 )(
     (segid "    " and resid "110 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10428 weight  0.10000E+01 volume  0.33700E+00 ppm1      4.586 ppm2      4.085
 ASSI (
     (segid "    " and resid "138 " and name "HA  ")
 )(
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
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  OR 
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  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
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 ASSI (
     (segid "    " and resid "138 " 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 ")
  OR 
     (segid "    " and resid "137 " and name "HG2 ")
 )
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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 "HD13")
  OR 
     (segid "    " and resid "134 " and name "HD12")
 )(
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  OR 
     (segid "    " and resid "161 " and name "HG2 ")
 )
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 ASSI (
     (segid "    " and resid "134 " and name "HG  ")
 )(
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  OR 
     (segid "    " and resid "132 " and name "HB1 ")
  OR 
     (segid "    " and resid "130 " and name "HD1 ")
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 ASSI (
     (segid "    " and resid "45  " and name "HG2 ")
  OR 
     (segid "    " and resid "45  " and name "HG1 ")
 )(
     (segid "    " and resid "73  " and name "HB1 ")
 )
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 ASSI (
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  OR 
     (segid "    " and resid "128 " and name "HD12")
  OR 
     (segid "    " and resid "128 " and name "HD11")
  OR 
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  OR 
     (segid "    " and resid "62  " and name "HD12")
  OR 
     (segid "    " and resid "62  " and name "HD11")
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  OR 
     (segid "    " and resid "112 " and name "HA  ")
  OR 
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  OR 
     (segid "    " and resid "17  " and name "HA  ")
  OR 
     (segid "    " and resid "14  " and name "HA  ")
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 ASSI (
     (segid "    " and resid "138 " and name "HA  ")
 )(
     (segid "    " and resid "109 " and name "HA1 ")
 )
      5.000     5.000     0.000 peak 10435 weight  0.10000E+01 volume  0.48500E+00 ppm1      4.582 ppm2      4.315
 ASSI (
     (segid "    " and resid "138 " and name "HA  ")
 )(
     (segid "    " and resid "109 " and name "HA2 ")
 )
      6.000     6.000     0.000 peak 10436 weight  0.10000E+01 volume  0.22700E+00 ppm1      4.582 ppm2      3.798
 ASSI (
     (segid "    " and resid "62  " and name "HD13")
  OR 
     (segid "    " and resid "62  " and name "HD12")
  OR 
     (segid "    " and resid "62  " and name "HD11")
 )(
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 )
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 ASSI (
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 )(
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  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
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 ASSI (
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  OR 
     (segid "    " and resid "145 " and name "HD12")
  OR 
     (segid "    " and resid "145 " and name "HD11")
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  OR 
     (segid "    " and resid "134 " and name "HD12")
  OR 
     (segid "    " and resid "134 " and name "HD11")
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  OR 
     (segid "    " and resid "161 " and name "HG2 ")
 )
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 ASSI (
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  OR 
     (segid "    " and resid "160 " and name "HD12")
  OR 
     (segid "    " and resid "160 " and name "HD11")
  OR 
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "59  " and name "HA  ")
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 ASSI (
     (segid "    " and resid "103 " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "105 " and name "HD22")
  OR 
     (segid "    " and resid "105 " and name "HD21")
 )
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 ASSI (
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 )(
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  OR 
     (segid "    " and resid "111 " and name "HB2 ")
 )
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 ASSI (
     (segid "    " and resid "103 " 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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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "102 " and name "HG21")
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 ASSI (
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  OR 
     (segid "    " and resid "95  " and name "HD12")
  OR 
     (segid "    " and resid "95  " and name "HD11")
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  OR 
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  OR 
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 ASSI (
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 )(
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 )
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 ASSI (
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 )(
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 )
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 ASSI (
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  OR 
     (segid "    " and resid "95  " and name "HD12")
  OR 
     (segid "    " and resid "95  " and name "HD11")
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  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "134 " and name "HD12")
  OR 
     (segid "    " and resid "134 " and name "HD11")
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 ASSI (
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  OR 
     (segid "    " and resid "95  " and name "HD12")
  OR 
     (segid "    " and resid "95  " and name "HD11")
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 ASSI (
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  OR 
     (segid "    " and resid "134 " and name "HD12")
  OR 
     (segid "    " and resid "134 " and name "HD11")
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 ASSI (
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  OR 
     (segid "    " and resid "85  " and name "HG2 ")
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 ASSI (
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  OR 
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      6.000     6.000     0.000 peak 10454 weight  0.10000E+01 volume  0.22300E+00 ppm1      5.146 ppm2      4.306
 ASSI (
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 )(
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "142 " and name "HD12")
  OR 
     (segid "    " and resid "142 " and name "HD11")
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 ASSI (
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  OR 
     (segid "    " and resid "142 " and name "HD12")
  OR 
     (segid "    " and resid "142 " and name "HD11")
 )(
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 )
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 ASSI (
     (segid "    " and resid "142 " and name "HD13")
  OR 
     (segid "    " and resid "142 " and name "HD12")
  OR 
     (segid "    " and resid "142 " and name "HD11")
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 ASSI (
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  OR 
     (segid "    " and resid "38  " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "80  " and name "HG12")
  OR 
     (segid "    " and resid "80  " and name "HG11")
  OR 
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  OR 
     (segid "    " and resid "71  " and name "HG22")
  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
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 ASSI (
     (segid "    " and resid "85  " and name "HG2 ")
 )(
     (segid "    " and resid "119 " and name "HG1 ")
 )
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 ASSI (
     (segid "    " and resid "105 " and name "HA  ")
 )(
     (segid "    " and resid "111 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10461 weight  0.10000E+01 volume  0.12000E+00 ppm1      4.935 ppm2      5.275
 ASSI (
     (segid "    " and resid "105 " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "115 " and name "HD22")
  OR 
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  OR 
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  OR 
     (segid "    " and resid "111 " and name "HD22")
  OR 
     (segid "    " and resid "111 " and name "HD21")
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 ASSI (
     (segid "    " and resid "89  " and name "HG  ")
 )(
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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")
 )(
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  OR 
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  OR 
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  OR 
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 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
     (segid "    " and resid "38  " and name "HB1 ")
  OR 
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  OR 
     (segid "    " and resid "9   " and name "HB1 ")
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 ASSI (
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 )(
     (segid "    " and resid "85  " and name "HD1 ")
 )
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 ASSI (
     (segid "    " and resid "29  " and name "HD13")
  OR 
     (segid "    " and resid "29  " and name "HD12")
  OR 
     (segid "    " and resid "29  " and name "HD11")
 )(
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 )
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 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
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  OR 
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "10  " and name "HG11")
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 ASSI (
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 )(
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  OR 
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "113 " and name "HG21")
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 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "40  " and name "HD22")
  OR 
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 ASSI (
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 )(
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "8   " and name "HG11")
 )
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 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
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 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
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 )
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 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HA  ")
  OR 
     (segid "    " and resid "8   " and name "HA  ")
 )
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 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
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  OR 
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  OR 
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  OR 
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 ASSI (
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 )(
     (segid "    " and resid "40  " and name "HA  ")
  OR 
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  OR 
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 ASSI (
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 )(
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 ASSI (
     (segid "    " and resid "115 " and name "HG  ")
 )(
     (segid "    " and resid "81  " and name "HD2 ")
 )
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 ASSI (
     (segid "    " and resid "39  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HG  ")
  OR 
     (segid "    " and resid "40  " and name "HB1 ")
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 ASSI (
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 )(
     (segid "    " and resid "112 " and name "HD1 ")
 )
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 ASSI (
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 )(
     (segid "    " and resid "112 " and name "HD2 ")
 )
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 ASSI (
     (segid "    " and resid "111 " and name "HA  ")
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  OR 
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  OR 
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 ASSI (
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 )(
     (segid "    " and resid "112 " and name "HG1 ")
  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
     (segid "    " and resid "56  " and name "HG1 ")
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  OR 
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  OR 
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  OR 
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 ASSI (
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 )(
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  OR 
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  OR 
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 ASSI (
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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 ASSI (
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 )(
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 ASSI (
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 )(
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 ASSI (
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  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
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  OR 
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 ASSI (
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  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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 ASSI (
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  OR 
     (segid "    " and resid "30  " and name "HD12")
  OR 
     (segid "    " and resid "30  " and name "HD11")
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  OR 
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 ASSI (
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  OR 
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  OR 
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  OR 
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  OR 
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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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  OR 
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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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 )(
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 ASSI (
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  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
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 ASSI (
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 ASSI (
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 )(
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  OR 
     (segid "    " and resid "30  " and name "HD12")
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     (segid "    " and resid "30  " and name "HD11")
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 ASSI (
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 )(
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 ASSI (
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  OR 
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 ASSI (
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  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
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 ASSI (
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 )(
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 ASSI (
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  OR 
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 )
      6.000     6.000     0.000 peak 10506 weight  0.10000E+01 volume  0.12500E+00 ppm1      4.502 ppm2      4.100
 ASSI (
     (segid "    " and resid "111 " and name "HD13")
  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
 )(
     (segid "    " and resid "133 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10507 weight  0.10000E+01 volume -0.32200E+00 ppm1      1.192 ppm2      2.564
 ASSI (
     (segid "    " and resid "121 " and name "HA  ")
 )(
     (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 ")
 )
      6.000     6.000     0.000 peak 10508 weight  0.10000E+01 volume  0.11100E+00 ppm1      5.225 ppm2      1.493
 ASSI (
     (segid "    " and resid "30  " and name "HD13")
  OR 
     (segid "    " and resid "30  " and name "HD12")
  OR 
     (segid "    " and resid "30  " and name "HD11")
 )(
     (segid "    " and resid "37  " and name "HA  ")
  OR 
     (segid "    " and resid "14  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10509 weight  0.10000E+01 volume -0.38300E+00 ppm1      0.671 ppm2      4.090
 ASSI (
     (segid "    " and resid "30  " and name "HD13")
  OR 
     (segid "    " and resid "30  " and name "HD12")
  OR 
     (segid "    " and resid "30  " and name "HD11")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
  OR 
     (segid "    " and resid "26  " and name "HB  ")
 )
      5.000     5.000     0.000 peak 10510 weight  0.10000E+01 volume -0.79200E+00 ppm1      0.662 ppm2      2.179
 ASSI (
     (segid "    " and resid "65  " and name "HA  ")
 )(
     (segid "    " and resid "64  " and name "HD1 ")
  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 10511 weight  0.10000E+01 volume  0.29500E+00 ppm1      4.511 ppm2      1.662
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "67  " and name "HB3 ")
  OR 
     (segid "    " and resid "67  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak 10512 weight  0.10000E+01 volume -0.20280E+01 ppm1      0.819 ppm2      1.139
 ASSI (
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )(
     (segid "    " and resid "79  " and name "HA  ")
  OR 
     (segid "    " and resid "68  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10513 weight  0.10000E+01 volume -0.14000E+00 ppm1      0.819 ppm2      4.742
 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (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 10515 weight  0.10000E+01 volume -0.53300E+00 ppm1      2.180 ppm2      0.926
 ASSI (
     (segid "    " and resid "40  " and name "HA  ")
 )(
     (segid "    " and resid "47  " and name "HA  ")
  OR 
     (segid "    " and resid "39  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10516 weight  0.10000E+01 volume  0.16700E+00 ppm1      4.364 ppm2      4.035
 ASSI (
     (segid "    " and resid "40  " and name "HA  ")
 )(
     (segid "    " and resid "46  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10517 weight  0.10000E+01 volume  0.32100E+00 ppm1      4.365 ppm2      4.792
 ASSI (
     (segid "    " and resid "45  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HD23")
  OR 
     (segid "    " and resid "40  " and name "HD21")
 )
      6.000     6.000     0.000 peak 10518 weight  0.10000E+01 volume  0.26200E+00 ppm1      4.827 ppm2      0.665
 ASSI (
     (segid "    " and resid "40  " 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 ")
  OR 
     (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 10519 weight  0.10000E+01 volume  0.83700E+00 ppm1      4.364 ppm2      1.202
 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 "151 " and name "HD2 ")
  OR 
     (segid "    " and resid "121 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 10520 weight  0.10000E+01 volume -0.19100E+00 ppm1      1.001 ppm2      2.998
 ASSI (
     (segid "    " and resid "45  " 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 10521 weight  0.10000E+01 volume  0.38500E+00 ppm1      4.819 ppm2      1.183
 ASSI (
     (segid "    " and resid "45  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HG  ")
  OR 
     (segid "    " and resid "40  " and name "HB1 ")
 )
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 ASSI (
     (segid "    " and resid "40  " and name "HA  ")
 )(
     (segid "    " and resid "45  " and name "HG1 ")
  OR 
     (segid "    " and resid "39  " and name "HB3 ")
  OR 
     (segid "    " and resid "39  " and name "HB2 ")
  OR 
     (segid "    " and resid "39  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10523 weight  0.10000E+01 volume  0.22100E+00 ppm1      4.364 ppm2      1.405
 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 "151 " and name "HD1 ")
 )
      6.000     6.000     0.000 peak 10524 weight  0.10000E+01 volume -0.16900E+00 ppm1      0.993 ppm2      3.304
 ASSI (
     (segid "    " and resid "40  " and name "HA  ")
 )(
     (segid "    " and resid "46  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10525 weight  0.10000E+01 volume  0.30100E+00 ppm1      4.365 ppm2      4.751
 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 "148 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10526 weight  0.10000E+01 volume -0.11410E+01 ppm1      0.992 ppm2      3.749
 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 "152 " and name "HA2 ")
 )
      5.000     5.000     0.000 peak 10527 weight  0.10000E+01 volume -0.10890E+01 ppm1      0.993 ppm2      3.874
 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 "152 " and name "HA1 ")
  OR 
     (segid "    " and resid "120 " and name "HA1 ")
 )
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 ASSI (
     (segid "    " and resid "24  " and name "HB2 ")
 )(
     (segid "    " and resid "28  " and name "HG1 ")
  OR 
     (segid "    " and resid "27  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10529 weight  0.10000E+01 volume -0.29700E+00 ppm1      2.180 ppm2      1.700
 ASSI (
     (segid "    " and resid "137 " and name "HA  ")
 )(
     (segid "    " and resid "143 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10531 weight  0.10000E+01 volume  0.43300E+00 ppm1      4.224 ppm2      5.384
 ASSI (
     (segid "    " and resid "142 " and name "HA  ")
 )(
     (segid "    " and resid "146 " and name "HB2 ")
  OR 
     (segid "    " and resid "146 " and name "HB1 ")
 )
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 ASSI (
     (segid "    " and resid "137 " and name "HA  ")
 )(
     (segid "    " and resid "144 " and name "HD2 ")
  OR 
     (segid "    " and resid "144 " and name "HA  ")
  OR 
     (segid "    " and resid "141 " and name "HA2 ")
 )
      5.000     5.000     0.000 peak 10533 weight  0.10000E+01 volume  0.33000E+00 ppm1      4.229 ppm2      3.712
 ASSI (
     (segid "    " and resid "137 " and name "HA  ")
  OR 
     (segid "    " and resid "74  " and name "HA  ")
 )(
     (segid "    " and resid "143 " and name "HB  ")
  OR 
     (segid "    " and resid "75  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10534 weight  0.10000E+01 volume  0.21500E+00 ppm1      4.234 ppm2      4.655
 ASSI (
     (segid "    " and resid "131 " and name "HA  ")
 )(
     (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 "HG12")
  OR 
     (segid "    " and resid "102 " and name "HG11")
 )
      5.000     5.000     0.000 peak 10535 weight  0.10000E+01 volume  0.61200E+00 ppm1      4.550 ppm2      0.867
 ASSI (
     (segid "    " and resid "74  " and name "HA  ")
 )(
     (segid "    " and resid "73  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10537 weight  0.10000E+01 volume  0.11700E+00 ppm1      4.232 ppm2      4.920
 ASSI (
     (segid "    " and resid "131 " and name "HA  ")
 )(
     (segid "    " and resid "130 " and name "HA  ")
  OR 
     (segid "    " and resid "97  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10538 weight  0.10000E+01 volume  0.20100E+00 ppm1      4.560 ppm2      4.136
 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 "HB  ")
  OR 
     (segid "    " and resid "97  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10542 weight  0.10000E+01 volume -0.27600E+00 ppm1      0.963 ppm2      2.392
 ASSI (
     (segid "    " and resid "139 " and name "HA  ")
  OR 
     (segid "    " and resid "17  " and name "HA  ")
 )(
     (segid "    " and resid "138 " and name "HA  ")
  OR 
     (segid "    " and resid "108 " and name "HA  ")
  OR 
     (segid "    " and resid "25  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10543 weight  0.10000E+01 volume  0.24200E+00 ppm1      4.128 ppm2      4.604
 ASSI (
     (segid "    " and resid "116 " and name "HA  ")
  OR 
     (segid "    " and resid "17  " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "117 " and name "HG12")
  OR 
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  OR 
     (segid "    " and resid "113 " and name "HD12")
  OR 
     (segid "    " and resid "113 " and name "HD11")
  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")
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      5.000     5.000     0.000 peak 10544 weight  0.10000E+01 volume  0.50500E+00 ppm1      4.139 ppm2      0.761
 ASSI (
     (segid "    " and resid "116 " and name "HA  ")
  OR 
     (segid "    " and resid "17  " and name "HA  ")
 )(
     (segid "    " and resid "121 " and name "HB2 ")
  OR 
     (segid "    " and resid "22  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10545 weight  0.10000E+01 volume  0.79900E+00 ppm1      4.136 ppm2      3.059
 ASSI (
     (segid "    " and resid "116 " and name "HA  ")
  OR 
     (segid "    " and resid "17  " and name "HA  ")
 )(
     (segid "    " and resid "85  " and name "HD2 ")
  OR 
     (segid "    " and resid "20  " and name "HD2 ")
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 ASSI (
     (segid "    " and resid "27  " and name "HG2 ")
 )(
     (segid "    " and resid "24  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10547 weight  0.10000E+01 volume -0.22800E+00 ppm1      1.483 ppm2      4.000
 ASSI (
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
 )(
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  OR 
     (segid "    " and resid "89  " and name "HD22")
  OR 
     (segid "    " and resid "89  " and name "HD21")
 )
      3.300     3.300     0.000 peak 10548 weight  0.10000E+01 volume -0.20710E+01 ppm1      0.952 ppm2      0.605
 ASSI (
     (segid "    " and resid "147 " and name "HD13")
  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")
  OR 
     (segid "    " and resid "117 " and name "HG12")
 )
      3.300     3.300     0.000 peak 10550 weight  0.10000E+01 volume -0.23690E+01 ppm1      1.193 ppm2      0.766
 ASSI (
     (segid "    " and resid "27  " and name "HG2 ")
 )(
     (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 "HG21")
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      5.000     5.000     0.000 peak 10551 weight  0.10000E+01 volume -0.87400E+00 ppm1      1.496 ppm2      0.933
 ASSI (
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "111 " and name "HB1 ")
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 ASSI (
     (segid "    " and resid "27  " and name "HG1 ")
 )(
     (segid "    " and resid "61  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10553 weight  0.10000E+01 volume -0.38100E+00 ppm1      1.696 ppm2      2.454
 ASSI (
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
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 )
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 ASSI (
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
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  OR 
     (segid "    " and resid "118 " and name "HD1 ")
 )
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 ASSI (
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
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  OR 
     (segid "    " and resid "93  " and name "HA  ")
  OR 
     (segid "    " and resid "89  " and name "HA  ")
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 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 "84  " and name "HA  ")
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 ASSI (
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 )(
     (segid "    " and resid "144 " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 10558 weight  0.10000E+01 volume -0.37100E+00 ppm1      1.673 ppm2      4.288
 ASSI (
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
  OR 
     (segid "    " and resid "92  " and name "HD11")
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     (segid "    " and resid "127 " and name "HE2 ")
  OR 
     (segid "    " and resid "127 " and name "HE1 ")
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 ASSI (
     (segid "    " and resid "116 " and name "HA  ")
  OR 
     (segid "    " and resid "17  " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "22  " and name "HB2 ")
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 ASSI (
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 )(
     (segid "    " and resid "134 " and name "HD22")
  OR 
     (segid "    " and resid "134 " and name "HD21")
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 ASSI (
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  OR 
     (segid "    " and resid "17  " and name "HA  ")
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  OR 
     (segid "    " and resid "20  " and name "HA  ")
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 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "69  " and name "HD2 ")
  OR 
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     (segid "    " and resid "64  " and name "HA  ")
  OR 
     (segid "    " and resid "57  " and name "HA  ")
  OR 
     (segid "    " and resid "37  " and name "HA  ")
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 ASSI (
     (segid "    " and resid "51  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG11")
  OR 
     (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 10564 weight  0.10000E+01 volume  0.65300E+00 ppm1      3.439 ppm2      0.942
 ASSI (
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
 )(
     (segid "    " and resid "114 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10565 weight  0.10000E+01 volume -0.10250E+01 ppm1      1.193 ppm2      3.987
 ASSI (
     (segid "    " and resid "144 " and name "HG1 ")
  OR 
     (segid "    " and resid "13  " and name "HG2 ")
 )(
     (segid "    " and resid "132 " and name "HB2 ")
  OR 
     (segid "    " and resid "132 " and name "HB1 ")
  OR 
     (segid "    " and resid "114 " and name "HB2 ")
  OR 
     (segid "    " and resid "11  " and name "HA1 ")
 )
      5.000     5.000     0.000 peak 10566 weight  0.10000E+01 volume -0.30600E+00 ppm1      1.684 ppm2      3.554
 ASSI (
     (segid "    " and resid "116 " and name "HA  ")
  OR 
     (segid "    " and resid "57  " and name "HA  ")
  OR 
     (segid "    " and resid "17  " and name "HA  ")
 )(
     (segid "    " and resid "117 " and name "HA  ")
  OR 
     (segid "    " and resid "85  " and name "HD1 ")
  OR 
     (segid "    " and resid "58  " and name "HA  ")
  OR 
     (segid "    " and resid "51  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10567 weight  0.10000E+01 volume  0.21600E+00 ppm1      4.130 ppm2      3.464
 ASSI (
     (segid "    " and resid "84  " and name "HA  ")
 )(
     (segid "    " and resid "124 " and name "HB  ")
  OR 
     (segid "    " and resid "119 " and name "HG2 ")
 )
      6.000     6.000     0.000 peak 10568 weight  0.10000E+01 volume  0.25000E+00 ppm1      4.011 ppm2      2.389
 ASSI (
     (segid "    " and resid "144 " and name "HG2 ")
 )(
     (segid "    " and resid "144 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 10569 weight  0.10000E+01 volume -0.20900E+00 ppm1      0.549 ppm2      1.782
 ASSI (
     (segid "    " and resid "116 " and name "HA  ")
  OR 
     (segid "    " and resid "17  " and name "HA  ")
 )(
     (segid "    " and resid "125 " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 10570 weight  0.10000E+01 volume  0.31400E+00 ppm1      4.136 ppm2      3.370
 ASSI (
     (segid "    " and resid "51  " and name "HA  ")
 )(
     (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 10571 weight  0.10000E+01 volume  0.12500E+00 ppm1      3.441 ppm2      1.684
 ASSI (
     (segid "    " and resid "144 " and name "HG1 ")
  OR 
     (segid "    " and resid "13  " and name "HG2 ")
 )(
     (segid "    " and resid "134 " and name "HA  ")
  OR 
     (segid "    " and resid "10  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10572 weight  0.10000E+01 volume -0.84800E+00 ppm1      1.684 ppm2      3.885
 ASSI (
     (segid "    " and resid "112 " and name "HG1 ")
  OR 
     (segid "    " and resid "13  " and name "HG1 ")
 )(
     (segid "    " and resid "102 " and name "HA  ")
  OR 
     (segid "    " and resid "10  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10573 weight  0.10000E+01 volume -0.89700E+00 ppm1      1.806 ppm2      3.888
 ASSI (
     (segid "    " and resid "84  " 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 10574 weight  0.10000E+01 volume  0.18500E+00 ppm1      3.992 ppm2      0.595
 ASSI (
     (segid "    " and resid "52  " and name "HA  ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
 )(
     (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 "HB1 ")
  OR 
     (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 10575 weight  0.10000E+01 volume  0.94400E+00 ppm1      4.288 ppm2      1.319
 ASSI (
     (segid "    " and resid "84  " and name "HA  ")
 )(
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "89  " and name "HA  ")
  OR 
     (segid "    " and resid "85  " and name "HA  ")
  OR 
     (segid "    " and resid "80  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10576 weight  0.10000E+01 volume  0.65500E+00 ppm1      3.990 ppm2      3.732
 ASSI (
     (segid "    " and resid "161 " and name "HB2 ")
 )(
     (segid "    " and resid "145 " and name "HD23")
  OR 
     (segid "    " and resid "145 " and name "HD22")
  OR 
     (segid "    " and resid "145 " and name "HD12")
 )
      5.000     5.000     0.000 peak 10577 weight  0.10000E+01 volume -0.86800E+00 ppm1      2.128 ppm2      0.996
 ASSI (
     (segid "    " and resid "27  " and name "HG1 ")
 )(
     (segid "    " and resid "26  " and name "HB  ")
  OR 
     (segid "    " and resid "24  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10578 weight  0.10000E+01 volume -0.88100E+00 ppm1      1.673 ppm2      2.207
 ASSI (
     (segid "    " and resid "27  " and name "HG2 ")
 )(
     (segid "    " and resid "61  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10579 weight  0.10000E+01 volume -0.24700E+00 ppm1      1.486 ppm2      2.447
 ASSI (
     (segid "    " and resid "161 " and name "HB2 ")
 )(
     (segid "    " and resid "158 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10580 weight  0.10000E+01 volume -0.70000E+00 ppm1      2.127 ppm2      4.342
 ASSI (
     (segid "    " and resid "144 " and name "HG1 ")
  OR 
     (segid "    " and resid "27  " and name "HG1 ")
 )(
     (segid "    " and resid "135 " and name "HA  ")
  OR 
     (segid "    " and resid "25  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10581 weight  0.10000E+01 volume -0.15900E+00 ppm1      1.682 ppm2      4.674
 ASSI (
     (segid "    " and resid "84  " and name "HA  ")
  OR 
     (segid "    " and resid "34  " and name "HA  ")
 )(
     (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 "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 10582 weight  0.10000E+01 volume  0.77900E+00 ppm1      3.992 ppm2      0.721
 ASSI (
     (segid "    " and resid "134 " and name "HA  ")
  OR 
     (segid "    " and resid "128 " and name "HA  ")
  OR 
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "130 " and name "HA  ")
  OR 
     (segid "    " and resid "112 " and name "HA  ")
  OR 
     (segid "    " and resid "97  " and name "HA  ")
  OR 
     (segid "    " and resid "37  " and name "HA  ")
  OR 
     (segid "    " and resid "17  " and name "HA  ")
  OR 
     (segid "    " and resid "14  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10583 weight  0.10000E+01 volume  0.76100E+00 ppm1      3.853 ppm2      4.118
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HD12")
  OR 
     (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 10584 weight  0.10000E+01 volume  0.15330E+01 ppm1      3.726 ppm2      0.690
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "95  " and name "HD23")
  OR 
     (segid "    " and resid "95  " and name "HD22")
  OR 
     (segid "    " and resid "58  " and name "HG21")
  OR 
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
 )
      3.300     3.300     0.000 peak 10585 weight  0.10000E+01 volume  0.35210E+01 ppm1      3.739 ppm2      0.950
 ASSI (
     (segid "    " and resid "161 " and name "HB1 ")
 )(
     (segid "    " and resid "158 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10586 weight  0.10000E+01 volume -0.63100E+00 ppm1      2.202 ppm2      4.337
 ASSI (
     (segid "    " and resid "139 " and name "HA  ")
  OR 
     (segid "    " and resid "116 " and name "HA  ")
  OR 
     (segid "    " and resid "57  " and name "HA  ")
 )(
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
  OR 
     (segid "    " and resid "128 " and name "HB2 ")
  OR 
     (segid "    " and resid "115 " and name "HD13")
  OR 
     (segid "    " and resid "115 " and name "HD12")
  OR 
     (segid "    " and resid "115 " and name "HD11")
  OR 
     (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 "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 10587 weight  0.10000E+01 volume  0.68400E+00 ppm1      4.101 ppm2      1.190
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
  OR 
     (segid "    " and resid "62  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak 10588 weight  0.10000E+01 volume  0.11430E+01 ppm1      3.728 ppm2      1.174
 ASSI (
     (segid "    " and resid "161 " and name "HB1 ")
 )(
     (segid "    " and resid "164 " and name "HG1 ")
  OR 
     (segid "    " and resid "158 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10589 weight  0.10000E+01 volume -0.20200E+00 ppm1      2.206 ppm2      2.744
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "62  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10590 weight  0.10000E+01 volume  0.79400E+00 ppm1      3.725 ppm2      1.844
 ASSI (
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (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 10591 weight  0.10000E+01 volume  0.79200E+00 ppm1      3.730 ppm2      1.699
 ASSI (
     (segid "    " and resid "59  " 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")
  OR 
     (segid "    " and resid "63  " and name "HD23")
  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 10592 weight  0.10000E+01 volume  0.21530E+01 ppm1      3.731 ppm2      0.801
 ASSI (
     (segid "    " and resid "57  " and name "HA  ")
 )(
     (segid "    " and resid "60  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10593 weight  0.10000E+01 volume  0.11880E+01 ppm1      4.102 ppm2      1.805
 ASSI (
     (segid "    " and resid "150 " and name "HB1 ")
 )(
     (segid "    " and resid "147 " and name "HG  ")
  OR 
     (segid "    " and resid "147 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 10594 weight  0.10000E+01 volume -0.17200E+00 ppm1      2.404 ppm2      1.509
 ASSI (
     (segid "    " and resid "83  " and name "HA  ")
 )(
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak 10595 weight  0.10000E+01 volume  0.15000E+00 ppm1      3.814 ppm2      7.324
 ASSI (
     (segid "    " and resid "83  " and name "HA  ")
 )(
     (segid "    " and resid "86  " and name "HB  ")
  OR 
     (segid "    " and resid "86  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10596 weight  0.10000E+01 volume  0.43000E+00 ppm1      3.799 ppm2      4.342
 ASSI (
     (segid "    " and resid "148 " and name "HA  ")
  OR 
     (segid "    " and resid "59  " and name "HA  ")
 )(
     (segid "    " and resid "147 " and name "HB2 ")
  OR 
     (segid "    " and resid "63  " and name "HG  ")
  OR 
     (segid "    " and resid "48  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10597 weight  0.10000E+01 volume  0.85700E+00 ppm1      3.725 ppm2      1.556
 ASSI (
     (segid "    " and resid "128 " and name "HA  ")
  OR 
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "102 " and name "HB  ")
  OR 
     (segid "    " and resid "52  " and name "HB1 ")
  OR 
     (segid "    " and resid "26  " and name "HB  ")
 )
      5.000     5.000     0.000 peak 10598 weight  0.10000E+01 volume  0.40300E+00 ppm1      3.831 ppm2      2.174
 ASSI (
     (segid "    " and resid "118 " and name "HG2 ")
 )(
     (segid "    " and resid "150 " and name "HB1 ")
  OR 
     (segid "    " and resid "119 " and name "HG2 ")
 )
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 ASSI (
     (segid "    " and resid "118 " and name "HG2 ")
 )(
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD11")
 )
      5.000     5.000     0.000 peak 10600 weight  0.10000E+01 volume -0.11070E+01 ppm1      1.620 ppm2      1.193
 ASSI (
     (segid "    " and resid "83  " and name "HA  ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
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 ASSI (
     (segid "    " and resid "134 " and name "HA  ")
  OR 
     (segid "    " and resid "128 " and name "HA  ")
  OR 
     (segid "    " and resid "83  " and name "HA  ")
  OR 
     (segid "    " and resid "18  " and name "HA  ")
 )(
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  OR 
     (segid "    " and resid "127 " and name "HA  ")
  OR 
     (segid "    " and resid "86  " and name "HA  ")
  OR 
     (segid "    " and resid "21  " and name "HA1 ")
  OR 
     (segid "    " and resid "19  " and name "HA  ")
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      5.000     5.000     0.000 peak 10602 weight  0.10000E+01 volume  0.63500E+00 ppm1      3.846 ppm2      4.289
 ASSI (
     (segid "    " and resid "83  " and name "HA  ")
  OR 
     (segid "    " and resid "18  " and name "HA  ")
 )(
     (segid "    " and resid "88  " and name "HB2 ")
  OR 
     (segid "    " and resid "87  " and name "HA2 ")
  OR 
     (segid "    " and resid "52  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak 10603 weight  0.10000E+01 volume  0.26300E+00 ppm1      3.805 ppm2      2.543
 ASSI (
     (segid "    " and resid "128 " and name "HA  ")
 )(
     (segid "    " and resid "131 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10604 weight  0.10000E+01 volume  0.45900E+00 ppm1      3.845 ppm2      2.311
 ASSI (
     (segid "    " and resid "150 " and name "HB1 ")
 )(
     (segid "    " and resid "147 " and name "HD23")
  OR 
     (segid "    " and resid "147 " and name "HD22")
  OR 
     (segid "    " and resid "147 " and name "HD21")
 )
      5.000     5.000     0.000 peak 10605 weight  0.10000E+01 volume -0.81700E+00 ppm1      2.407 ppm2      1.033
 ASSI (
     (segid "    " and resid "83  " and name "HA  ")
 )(
     (segid "    " and resid "88  " and name "HD2 ")
  OR 
     (segid "    " and resid "88  " and name "HD1 ")
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 ASSI (
     (segid "    " and resid "128 " and name "HA  ")
 )(
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )
      6.000     6.000     0.000 peak 10607 weight  0.10000E+01 volume  0.24200E+00 ppm1      3.864 ppm2      7.121
 ASSI (
     (segid "    " and resid "134 " and name "HA  ")
 )(
     (segid "    " and resid "143 " and name "HB  ")
  OR 
     (segid "    " and resid "135 " and name "HA  ")
  OR 
     (segid "    " and resid "133 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10608 weight  0.10000E+01 volume  0.18000E+00 ppm1      3.872 ppm2      4.703
 ASSI (
     (segid "    " and resid "148 " and name "HA  ")
 )(
     (segid "    " and resid "117 " and name "HG23")
  OR 
     (segid "    " and resid "117 " and name "HG22")
  OR 
     (segid "    " and resid "117 " and name "HG21")
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      3.300     3.300     0.000 peak 10609 weight  0.10000E+01 volume  0.27740E+01 ppm1      3.752 ppm2      0.775
 ASSI (
     (segid "    " and resid "148 " and name "HA  ")
 )(
     (segid "    " and resid "151 " and name "HG2 ")
  OR 
     (segid "    " and resid "151 " and name "HG1 ")
  OR 
     (segid "    " and resid "151 " and name "HB2 ")
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 ASSI (
     (segid "    " and resid "150 " and name "HB2 ")
  OR 
     (segid "    " and resid "65  " and name "HB1 ")
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  OR 
     (segid "    " and resid "142 " and name "HD22")
  OR 
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD22")
  OR 
     (segid "    " and resid "30  " and name "HD21")
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      5.000     5.000     0.000 peak 10611 weight  0.10000E+01 volume -0.79800E+00 ppm1      2.180 ppm2      0.766
 ASSI (
     (segid "    " and resid "154 " and name "HB1 ")
  OR 
     (segid "    " and resid "150 " and name "HB2 ")
  OR 
     (segid "    " and resid "65  " and name "HB1 ")
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
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  OR 
     (segid "    " and resid "62  " and name "HD22")
  OR 
     (segid "    " and resid "62  " and name "HD21")
 )
      5.000     5.000     0.000 peak 10612 weight  0.10000E+01 volume -0.11130E+01 ppm1      2.184 ppm2      0.912
 ASSI (
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "37  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak 10613 weight  0.10000E+01 volume -0.14200E+00 ppm1      2.180 ppm2      3.301
 ASSI (
     (segid "    " and resid "154 " and name "HB1 ")
  OR 
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "152 " and name "HA2 ")
  OR 
     (segid "    " and resid "63  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10614 weight  0.10000E+01 volume -0.37900E+00 ppm1      2.153 ppm2      3.861
 ASSI (
     (segid "    " and resid "65  " and name "HB1 ")
 )(
     (segid "    " and resid "30  " and name "HD13")
  OR 
     (segid "    " and resid "30  " and name "HD12")
 )
      5.000     5.000     0.000 peak 10615 weight  0.10000E+01 volume -0.53300E+00 ppm1      2.180 ppm2      0.676
 ASSI (
     (segid "    " and resid "135 " 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 10616 weight  0.10000E+01 volume  0.14520E+01 ppm1      4.717 ppm2      1.253
 ASSI (
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (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 10617 weight  0.10000E+01 volume -0.11510E+01 ppm1      2.039 ppm2      0.783
 ASSI (
     (segid "    " and resid "33  " and name "HB1 ")
 )(
     (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 10618 weight  0.10000E+01 volume -0.52300E+00 ppm1      2.418 ppm2      0.768
 ASSI (
     (segid "    " and resid "97  " and name "HB2 ")
  OR 
     (segid "    " and resid "65  " and name "HB2 ")
 )(
     (segid "    " and resid "93  " and name "HG2 ")
  OR 
     (segid "    " and resid "30  " and name "HD12")
  OR 
     (segid "    " and resid "30  " and name "HD11")
 )
      5.000     5.000     0.000 peak 10619 weight  0.10000E+01 volume -0.12520E+01 ppm1      2.034 ppm2      0.671
 ASSI (
     (segid "    " and resid "33  " and name "HB1 ")
 )(
     (segid "    " and resid "35  " and name "HG23")
  OR 
     (segid "    " and resid "35  " and name "HG22")
  OR 
     (segid "    " and resid "35  " and name "HG13")
  OR 
     (segid "    " and resid "35  " and name "HG12")
 )
      5.000     5.000     0.000 peak 10620 weight  0.10000E+01 volume -0.85400E+00 ppm1      2.417 ppm2      0.975
 ASSI (
     (segid "    " and resid "33  " and name "HB2 ")
 )(
     (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 10621 weight  0.10000E+01 volume -0.73900E+00 ppm1      2.326 ppm2      0.767
 ASSI (
     (segid "    " and resid "33  " and name "HB2 ")
 )(
     (segid "    " and resid "35  " and name "HG22")
  OR 
     (segid "    " and resid "35  " and name "HG13")
  OR 
     (segid "    " and resid "35  " and name "HG12")
 )
      5.000     5.000     0.000 peak 10622 weight  0.10000E+01 volume -0.11940E+01 ppm1      2.330 ppm2      0.980
 ASSI (
     (segid "    " and resid "33  " and name "HB1 ")
 )(
     (segid "    " and resid "29  " and name "HB2 ")
  OR 
     (segid "    " and resid "10  " and name "HG13")
  OR 
     (segid "    " and resid "10  " and name "HG12")
  OR 
     (segid "    " and resid "10  " and name "HG11")
 )
      5.000     5.000     0.000 peak 10623 weight  0.10000E+01 volume -0.35400E+00 ppm1      2.394 ppm2      1.139
 ASSI (
     (segid "    " and resid "33  " and name "HB1 ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10624 weight  0.10000E+01 volume -0.58600E+00 ppm1      2.410 ppm2      3.896
 ASSI (
     (segid "    " and resid "33  " and name "HB2 ")
 )(
     (segid "    " and resid "33  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10625 weight  0.10000E+01 volume -0.41200E+00 ppm1      2.319 ppm2      4.456
 ASSI (
     (segid "    " and resid "164 " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "161 " and name "HA  ")
  OR 
     (segid "    " and resid "55  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10626 weight  0.10000E+01 volume  0.27100E+00 ppm1      4.506 ppm2      4.018
 ASSI (
     (segid "    " and resid "164 " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "130 " and name "HA  ")
  OR 
     (segid "    " and resid "17  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10627 weight  0.10000E+01 volume  0.32700E+00 ppm1      4.510 ppm2      4.151
 ASSI (
     (segid "    " and resid "151 " and name "HA  ")
 )(
     (segid "    " and resid "157 " and name "HA  ")
  OR 
     (segid "    " and resid "148 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10628 weight  0.10000E+01 volume  0.18600E+00 ppm1      4.285 ppm2      3.748
 ASSI (
     (segid "    " and resid "151 " and name "HA  ")
 )(
     (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 "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 10629 weight  0.10000E+01 volume  0.23700E+00 ppm1      4.295 ppm2      1.037
 ASSI (
     (segid "    " and resid "151 " and name "HA  ")
 )(
     (segid "    " and resid "157 " and name "HG2 ")
  OR 
     (segid "    " and resid "150 " and name "HG2 ")
 )
      5.000     5.000     0.000 peak 10630 weight  0.10000E+01 volume  0.46500E+00 ppm1      4.293 ppm2      2.341
 ASSI (
     (segid "    " and resid "151 " and name "HA  ")
 )(
     (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 10631 weight  0.10000E+01 volume  0.34800E+00 ppm1      4.296 ppm2      1.380
 ASSI (
     (segid "    " and resid "68  " and name "HA  ")
 )(
     (segid "    " and resid "71  " and name "HG11")
  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 "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 10632 weight  0.10000E+01 volume  0.36600E+00 ppm1      4.753 ppm2      0.815
 ASSI (
     (segid "    " and resid "164 " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (segid "    " and resid "166 " and name "HG11")
  OR 
     (segid "    " and resid "134 " and name "HB2 ")
  OR 
     (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 10633 weight  0.10000E+01 volume  0.49600E+00 ppm1      4.501 ppm2      1.571
 ASSI (
     (segid "    " and resid "135 " and name "HA  ")
  OR 
     (segid "    " and resid "68  " and name "HA  ")
 )(
     (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 "164 " and name "HB2 ")
  OR 
     (segid "    " and resid "134 " and name "HG  ")
  OR 
     (segid "    " and resid "69  " and name "HB1 ")
  OR 
     (segid "    " and resid "37  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10634 weight  0.10000E+01 volume  0.52800E+00 ppm1      4.764 ppm2      1.950
 ASSI (
     (segid "    " and resid "64  " and name "HD2 ")
  OR 
     (segid "    " and resid "64  " and name "HD1 ")
 )(
     (segid "    " and resid "60  " and name "HD23")
  OR 
     (segid "    " and resid "60  " and name "HD22")
  OR 
     (segid "    " and resid "60  " and name "HD21")
 )
      3.300     3.300     0.000 peak 10635 weight  0.10000E+01 volume -0.21060E+01 ppm1      1.697 ppm2      0.957
 ASSI (
     (segid "    " and resid "164 " and name "HA  ")
  OR 
     (segid "    " and resid "20  " and name "HA  ")
 )(
     (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 "58  " and name "HG13")
 )
      5.000     5.000     0.000 peak 10636 weight  0.10000E+01 volume  0.80900E+00 ppm1      4.504 ppm2      0.925
 ASSI (
     (segid "    " and resid "135 " and name "HA  ")
  OR 
     (segid "    " and resid "68  " and name "HA  ")
 )(
     (segid "    " and resid "144 " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak 10637 weight  0.10000E+01 volume  0.42100E+00 ppm1      4.766 ppm2      1.814
 ASSI (
     (segid "    " and resid "135 " and name "HA  ")
  OR 
     (segid "    " and resid "68  " and name "HA  ")
 )(
     (segid "    " and resid "165 " and name "HB2 ")
  OR 
     (segid "    " and resid "146 " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10638 weight  0.10000E+01 volume  0.46600E+00 ppm1      4.766 ppm2      2.120
 ASSI (
     (segid "    " and resid "25  " and name "HB1 ")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10639 weight  0.10000E+01 volume -0.39300E+00 ppm1      1.958 ppm2      4.627
 ASSI (
     (segid "    " and resid "36  " 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")
 )
      6.000     6.000     0.000 peak 10640 weight  0.10000E+01 volume  0.24900E+00 ppm1      4.375 ppm2      0.765
 ASSI (
     (segid "    " and resid "164 " and name "HA  ")
  OR 
     (segid "    " and resid "155 " and name "HA  ")
 )(
     (segid "    " and resid "164 " and name "HG1 ")
  OR 
     (segid "    " and resid "158 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10641 weight  0.10000E+01 volume  0.11230E+01 ppm1      4.476 ppm2      2.664
 ASSI (
     (segid "    " and resid "98  " and name "HB2 ")
 )(
     (segid "    " and resid "63  " and name "HD23")
  OR 
     (segid "    " and resid "63  " and name "HD22")
  OR 
     (segid "    " and resid "63  " and name "HD21")
 )
      6.000     6.000     0.000 peak 10642 weight  0.10000E+01 volume -0.18600E+00 ppm1      2.858 ppm2      0.824
 ASSI (
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )(
     (segid "    " and resid "124 " and name "HB  ")
  OR 
     (segid "    " and resid "96  " and name "HB  ")
 )
      6.000     6.000     0.000 peak 10643 weight  0.10000E+01 volume -0.20200E+00 ppm1      1.451 ppm2      2.357
 ASSI (
     (segid "    " and resid "113 " and name "HG11")
  OR 
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )(
     (segid "    " and resid "125 " and name "HG21")
  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 10644 weight  0.10000E+01 volume -0.14340E+01 ppm1      1.452 ppm2      0.834
 ASSI (
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )(
     (segid "    " and resid "127 " and name "HZ  ")
 )
      6.000     6.000     0.000 peak 10645 weight  0.10000E+01 volume -0.17000E+00 ppm1      1.448 ppm2      7.324
 ASSI (
     (segid "    " and resid "121 " and name "HB1 ")
 )(
     (segid "    " and resid "124 " and name "HB  ")
 )
      5.000     5.000     0.000 peak 10646 weight  0.10000E+01 volume -0.36500E+00 ppm1      3.139 ppm2      2.397
 ASSI (
     (segid "    " and resid "121 " and name "HB2 ")
 )(
     (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 "HG11")
 )
      5.000     5.000     0.000 peak 10647 weight  0.10000E+01 volume -0.74300E+00 ppm1      3.007 ppm2      0.957
 ASSI (
     (segid "    " and resid "121 " and name "HB2 ")
 )(
     (segid "    " and resid "124 " and name "HB  ")
 )
      5.000     5.000     0.000 peak 10648 weight  0.10000E+01 volume -0.37100E+00 ppm1      3.019 ppm2      2.396
 ASSI (
     (segid "    " and resid "121 " and name "HB2 ")
 )(
     (segid "    " and resid "87  " and name "HA2 ")
 )
      6.000     6.000     0.000 peak 10649 weight  0.10000E+01 volume -0.25200E+00 ppm1      3.003 ppm2      2.596
 ASSI (
     (segid "    " and resid "121 " and name "HB1 ")
 )(
     (segid "    " and resid "124 " and name "HG23")
  OR 
     (segid "    " and resid "124 " and name "HG22")
  OR 
     (segid "    " and resid "124 " and name "HG21")
 )
      5.000     5.000     0.000 peak 10650 weight  0.10000E+01 volume -0.62100E+00 ppm1      3.140 ppm2      0.953
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (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 10652 weight  0.10000E+01 volume  0.12080E+01 ppm1      3.783 ppm2      0.695
 ASSI (
     (segid "    " and resid "151 " and name "HB2 ")
 )(
     (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 10653 weight  0.10000E+01 volume -0.81500E+00 ppm1      1.803 ppm2      1.366
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10654 weight  0.10000E+01 volume  0.40700E+00 ppm1      3.785 ppm2      1.976
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (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 "50  " and name "HG23")
  OR 
     (segid "    " and resid "50  " and name "HG22")
 )
      5.000     5.000     0.000 peak 10655 weight  0.10000E+01 volume  0.58200E+00 ppm1      3.788 ppm2      0.927
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "51  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak 10656 weight  0.10000E+01 volume  0.45500E+00 ppm1      3.780 ppm2      1.172
 ASSI (
     (segid "    " and resid "48  " and name "HA  ")
 )(
     (segid "    " and resid "51  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10657 weight  0.10000E+01 volume  0.26000E+00 ppm1      3.784 ppm2      2.334
 ASSI (
     (segid "    " and resid "51  " and name "HG1 ")
 )(
     (segid "    " and resid "62  " and name "HD23")
  OR 
     (segid "    " and resid "62  " and name "HD22")
  OR 
     (segid "    " and resid "58  " and name "HG23")
  OR 
     (segid "    " and resid "58  " and name "HG13")
  OR 
     (segid "    " and resid "58  " and name "HG12")
  OR 
     (segid "    " and resid "58  " and name "HG11")
  OR 
     (segid "    " and resid "50  " and name "HG21")
 )
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 ASSI (
     (segid "    " and resid "6   " and name "HA  ")
 )(
     (segid "    " and resid "5   " and name "HG  ")
  OR 
     (segid "    " and resid "5   " and name "HB2 ")
  OR 
     (segid "    " and resid "5   " and name "HB1 ")
  OR 
     (segid "    " and resid "4   " and name "HG  ")
  OR 
     (segid "    " and resid "4   " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10659 weight  0.10000E+01 volume  0.49500E+00 ppm1      4.283 ppm2      1.664
 ASSI (
     (segid "    " and resid "51  " and name "HG2 ")
 )(
     (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 10660 weight  0.10000E+01 volume -0.79500E+00 ppm1      1.192 ppm2      1.304
 ASSI (
     (segid "    " and resid "51  " and name "HG2 ")
 )(
     (segid "    " and resid "51  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10661 weight  0.10000E+01 volume -0.87700E+00 ppm1      1.188 ppm2      1.447
 ASSI (
     (segid "    " and resid "51  " and name "HG2 ")
 )(
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10662 weight  0.10000E+01 volume -0.11470E+01 ppm1      1.180 ppm2      1.956
 ASSI (
     (segid "    " and resid "51  " and name "HG2 ")
 )(
     (segid "    " and resid "63  " and name "HA  ")
  OR 
     (segid "    " and resid "53  " and name "HA  ")
 )
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 ASSI (
     (segid "    " and resid "33  " and name "HA  ")
 )(
     (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 "HD11")
 )
      6.000     6.000     0.000 peak 10664 weight  0.10000E+01 volume  0.22300E+00 ppm1      4.468 ppm2      0.774
 ASSI (
     (segid "    " and resid "113 " and name "HG12")
 )(
     (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 10665 weight  0.10000E+01 volume -0.82500E+00 ppm1      1.326 ppm2      0.891
 ASSI (
     (segid "    " and resid "121 " and name "HB2 ")
 )(
     (segid "    " and resid "116 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10666 weight  0.10000E+01 volume -0.14800E+00 ppm1      3.010 ppm2      4.170
 ASSI (
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
 )(
     (segid "    " and resid "127 " and name "HD2 ")
  OR 
     (segid "    " and resid "127 " and name "HD1 ")
 )
      6.000     6.000     0.000 peak 10667 weight  0.10000E+01 volume -0.13800E+00 ppm1      1.445 ppm2      7.120
 ASSI (
     (segid "    " and resid "32  " and name "HA  ")
 )(
     (segid "    " and resid "34  " and name "HB1 ")
  OR 
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10668 weight  0.10000E+01 volume  0.40800E+00 ppm1      4.668 ppm2      1.971
 ASSI (
     (segid "    " and resid "33  " and name "HA  ")
 )(
     (segid "    " and resid "29  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10669 weight  0.10000E+01 volume  0.21500E+00 ppm1      4.464 ppm2      3.897
 ASSI (
     (segid "    " and resid "33  " 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")
  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 "34  " and name "HD13")
  OR 
     (segid "    " and resid "34  " and name "HD12")
 )
      5.000     5.000     0.000 peak 10670 weight  0.10000E+01 volume  0.41800E+00 ppm1      4.471 ppm2      0.956
 ASSI (
     (segid "    " and resid "51  " and name "HG1 ")
 )(
     (segid "    " and resid "79  " and name "HB2 ")
  OR 
     (segid "    " and resid "51  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10671 weight  0.10000E+01 volume -0.15630E+01 ppm1      2.328 ppm2      1.954
 ASSI (
     (segid "    " and resid "51  " and name "HG1 ")
 )(
     (segid "    " and resid "18  " and name "HB2 ")
  OR 
     (segid "    " and resid "18  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10672 weight  0.10000E+01 volume -0.42500E+00 ppm1      2.330 ppm2      1.327
 ASSI (
     (segid "    " and resid "33  " and name "HA  ")
 )(
     (segid "    " and resid "32  " and name "HG1 ")
  OR 
     (segid "    " and resid "29  " and name "HG  ")
  OR 
     (segid "    " and resid "13  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10673 weight  0.10000E+01 volume  0.11600E+00 ppm1      4.449 ppm2      1.815
 ASSI (
     (segid "    " and resid "118 " 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 10674 weight  0.10000E+01 volume -0.10470E+01 ppm1      2.068 ppm2      1.195
 ASSI (
     (segid "    " and resid "156 " and name "HA  ")
 )(
     (segid "    " and resid "159 " and name "HA  ")
  OR 
     (segid "    " and resid "148 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10675 weight  0.10000E+01 volume  0.35500E+00 ppm1      4.155 ppm2      3.771
 ASSI (
     (segid "    " and resid "113 " and name "HG11")
  OR 
     (segid "    " and resid "45  " and name "HD2 ")
 )(
     (segid "    " and resid "117 " and name "HD13")
  OR 
     (segid "    " and resid "117 " and name "HD12")
  OR 
     (segid "    " and resid "117 " and name "HD11")
  OR 
     (segid "    " and resid "50  " and name "HG13")
  OR 
     (segid "    " and resid "50  " and name "HG12")
 )
      5.000     5.000     0.000 peak 10676 weight  0.10000E+01 volume -0.17500E+01 ppm1      1.478 ppm2      0.859
 ASSI (
     (segid "    " and resid "27  " and name "HB2 ")
  OR 
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "61  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10677 weight  0.10000E+01 volume -0.66000E+00 ppm1      1.886 ppm2      2.420
 ASSI (
     (segid "    " and resid "156 " and name "HA  ")
 )(
     (segid "    " and resid "153 " and name "HB3 ")
  OR 
     (segid "    " and resid "153 " and name "HB2 ")
  OR 
     (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 10678 weight  0.10000E+01 volume  0.46400E+00 ppm1      4.146 ppm2      1.401
 ASSI (
     (segid "    " and resid "156 " 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")
 )
      3.300     3.300     0.000 peak 10679 weight  0.10000E+01 volume  0.22920E+01 ppm1      4.156 ppm2      0.901
 ASSI (
     (segid "    " and resid "156 " and name "HA  ")
 )(
     (segid "    " and resid "152 " and name "HA2 ")
  OR 
     (segid "    " and resid "126 " and name "HB2 ")
  OR 
     (segid "    " and resid "126 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10680 weight  0.10000E+01 volume  0.33800E+00 ppm1      4.150 ppm2      3.881
 ASSI (
     (segid "    " and resid "149 " and name "HB2 ")
  OR 
     (segid "    " and resid "112 " and name "HB2 ")
  OR 
     (segid "    " and resid "27  " and name "HB2 ")
  OR 
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "146 " and name "HA  ")
  OR 
     (segid "    " and resid "112 " and name "HD2 ")
  OR 
     (segid "    " and resid "24  " and name "HA  ")
 )
      3.300     3.300     0.000 peak 10681 weight  0.10000E+01 volume -0.22070E+01 ppm1      1.886 ppm2      4.006
 ASSI (
     (segid "    " and resid "156 " and name "HA  ")
 )(
     (segid "    " and resid "157 " and name "HB1 ")
  OR 
     (segid "    " and resid "125 " and name "HB  ")
 )
      5.000     5.000     0.000 peak 10682 weight  0.10000E+01 volume  0.30200E+00 ppm1      4.153 ppm2      2.249
 ASSI (
     (segid "    " and resid "45  " and name "HD1 ")
 )(
     (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 10683 weight  0.10000E+01 volume -0.78100E+00 ppm1      1.583 ppm2      0.861
 ASSI (
     (segid "    " and resid "28  " and name "HB2 ")
  OR 
     (segid "    " and resid "28  " and name "HB1 ")
 )(
     (segid "    " and resid "25  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10684 weight  0.10000E+01 volume -0.54400E+00 ppm1      1.967 ppm2      4.635
 ASSI (
     (segid "    " and resid "78  " and name "HA  ")
 )(
     (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 10686 weight  0.10000E+01 volume  0.78000E-01 ppm1      5.862 ppm2      2.239
 ASSI (
     (segid "    " and resid "78  " and name "HA  ")
 )(
     (segid "    " and resid "80  " and name "HG23")
  OR 
     (segid "    " and resid "80  " and name "HG13")
  OR 
     (segid "    " and resid "80  " and name "HG12")
  OR 
     (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 10687 weight  0.10000E+01 volume  0.93000E-01 ppm1      5.864 ppm2      0.844
 ASSI (
     (segid "    " and resid "78  " and name "HA  ")
 )(
     (segid "    " and resid "79  " and name "HG2 ")
  OR 
     (segid "    " and resid "79  " and name "HG1 ")
  OR 
     (segid "    " and resid "79  " and name "HB2 ")
  OR 
     (segid "    " and resid "72  " and name "HB1 ")
  OR 
     (segid "    " and resid "71  " and name "HB  ")
 )
      6.000     6.000     0.000 peak 10688 weight  0.10000E+01 volume  0.10400E+00 ppm1      5.863 ppm2      2.010
 ASSI (
     (segid "    " and resid "158 " and name "HA  ")
 )(
     (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")
 )
      5.000     5.000     0.000 peak 10689 weight  0.10000E+01 volume  0.99300E+00 ppm1      4.329 ppm2      0.773
 ASSI (
     (segid "    " and resid "163 " and name "HA  ")
 )(
     (segid "    " and resid "166 " and name "HD13")
  OR 
     (segid "    " and resid "166 " and name "HD12")
  OR 
     (segid "    " and resid "166 " 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 10690 weight  0.10000E+01 volume  0.88000E+00 ppm1      4.629 ppm2      0.926
 ASSI (
     (segid "    " and resid "158 " 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 10691 weight  0.10000E+01 volume  0.73500E+00 ppm1      4.326 ppm2      1.003
 ASSI (
     (segid "    " and resid "158 " and name "HA  ")
 )(
     (segid "    " and resid "161 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10692 weight  0.10000E+01 volume  0.43900E+00 ppm1      4.339 ppm2      2.538
 ASSI (
     (segid "    " and resid "115 " and name "HA  ")
 )(
     (segid "    " and resid "151 " and name "HG2 ")
  OR 
     (segid "    " and resid "151 " and name "HB2 ")
  OR 
     (segid "    " and resid "128 " and name "HB1 ")
  OR 
     (segid "    " and resid "113 " and name "HB  ")
  OR 
     (segid "    " and resid "112 " and name "HG1 ")
  OR 
     (segid "    " and resid "85  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10693 weight  0.10000E+01 volume  0.28300E+00 ppm1      4.071 ppm2      1.764
 ASSI (
     (segid "    " and resid "158 " and name "HA  ")
 )(
     (segid "    " and resid "161 " and name "HG2 ")
  OR 
     (segid "    " and resid "157 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10694 weight  0.10000E+01 volume  0.42600E+00 ppm1      4.336 ppm2      2.367
 ASSI (
     (segid "    " and resid "158 " and name "HA  ")
 )(
     (segid "    " and resid "162 " and name "HA1 ")
  OR 
     (segid "    " and resid "161 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10695 weight  0.10000E+01 volume  0.24800E+00 ppm1      4.340 ppm2      4.014
 ASSI (
     (segid "    " and resid "115 " and name "HA  ")
 )(
     (segid "    " and resid "118 " and name "HA  ")
  OR 
     (segid "    " and resid "114 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10696 weight  0.10000E+01 volume  0.22000E+00 ppm1      4.071 ppm2      3.647
 ASSI (
     (segid "    " and resid "117 " and name "HG12")
 )(
     (segid "    " and resid "156 " and name "HD13")
  OR 
     (segid "    " and resid "156 " and name "HD12")
  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 10697 weight  0.10000E+01 volume -0.51200E+00 ppm1      0.774 ppm2      1.000
 ASSI (
     (segid "    " and resid "56  " and name "HB1 ")
 )(
     (segid "    " and resid "90  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10698 weight  0.10000E+01 volume -0.28100E+00 ppm1      2.051 ppm2      2.735
 ASSI (
     (segid "    " and resid "20  " and name "HB1 ")
 )(
     (segid "    " and resid "52  " and name "HG2 ")
  OR 
     (segid "    " and resid "52  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10699 weight  0.10000E+01 volume -0.28900E+00 ppm1      1.970 ppm2      2.593
 ASSI (
     (segid "    " and resid "115 " and name "HA  ")
 )(
     (segid "    " and resid "118 " and name "HD2 ")
  OR 
     (segid "    " and resid "118 " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 10700 weight  0.10000E+01 volume  0.44100E+00 ppm1      4.067 ppm2      3.242
 ASSI (
     (segid "    " and resid "89  " and name "HA  ")
 )(
     (segid "    " and resid "92  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10701 weight  0.10000E+01 volume  0.81100E+00 ppm1      3.721 ppm2      2.077
 ASSI (
     (segid "    " and resid "129 " and name "HA  ")
  OR 
     (segid "    " and resid "89  " and name "HA  ")
 )(
     (segid "    " and resid "144 " and name "HG1 ")
  OR 
     (segid "    " and resid "93  " and name "HB2 ")
  OR 
     (segid "    " and resid "92  " and name "HG  ")
 )
      5.000     5.000     0.000 peak 10702 weight  0.10000E+01 volume  0.49400E+00 ppm1      3.722 ppm2      1.638
 ASSI (
     (segid "    " and resid "56  " and name "HB1 ")
 )(
     (segid "    " and resid "93  " and name "HE2 ")
  OR 
     (segid "    " and resid "90  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10703 weight  0.10000E+01 volume -0.33300E+00 ppm1      2.047 ppm2      2.590
 ASSI (
     (segid "    " and resid "115 " and name "HA  ")
 )(
     (segid "    " and resid "110 " and name "HB2 ")
  OR 
     (segid "    " and resid "85  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10704 weight  0.10000E+01 volume  0.43400E+00 ppm1      4.074 ppm2      3.744
 ASSI (
     (segid "    " and resid "115 " and name "HA  ")
 )(
     (segid "    " and resid "118 " and name "HG2 ")
 )
      5.000     5.000     0.000 peak 10705 weight  0.10000E+01 volume  0.57500E+00 ppm1      4.059 ppm2      1.618
 ASSI (
     (segid "    " and resid "56  " and name "HB2 ")
 )(
     (segid "    " and resid "90  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10706 weight  0.10000E+01 volume -0.24300E+00 ppm1      1.967 ppm2      2.750
 ASSI (
     (segid "    " and resid "158 " and name "HA  ")
 )(
     (segid "    " and resid "159 " and name "HA  ")
  OR 
     (segid "    " and resid "157 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10707 weight  0.10000E+01 volume  0.26100E+00 ppm1      4.337 ppm2      3.739
 ASSI (
     (segid "    " and resid "85  " and name "HB2 ")
  OR 
     (segid "    " and resid "85  " and name "HB1 ")
 )(
     (segid "    " and resid "119 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10708 weight  0.10000E+01 volume -0.48400E+00 ppm1      2.051 ppm2      2.992
 ASSI (
     (segid "    " and resid "129 " and name "HA  ")
 )(
     (segid "    " and resid "113 " and name "HG11")
 )
      5.000     5.000     0.000 peak 10709 weight  0.10000E+01 volume  0.51000E+00 ppm1      3.710 ppm2      1.457
 ASSI (
     (segid "    " and resid "82  " and name "HA  ")
 )(
     (segid "    " and resid "85  " and name "HD2 ")
  OR 
     (segid "    " and resid "81  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 10710 weight  0.10000E+01 volume  0.23300E+00 ppm1      4.447 ppm2      3.237
 ASSI (
     (segid "    " and resid "82  " and name "HA  ")
  OR 
     (segid "    " and resid "2   " and name "HA  ")
 )(
     (segid "    " and resid "85  " and name "HA  ")
  OR 
     (segid "    " and resid "83  " and name "HA  ")
  OR 
     (segid "    " and resid "81  " and name "HB1 ")
  OR 
     (segid "    " and resid "1   " and name "HA2 ")
  OR 
     (segid "    " and resid "1   " and name "HA1 ")
 )
      5.000     5.000     0.000 peak 10711 weight  0.10000E+01 volume  0.36400E+00 ppm1      4.432 ppm2      3.781
 ASSI (
     (segid "    " and resid "80  " and name "HB  ")
 )(
     (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")
 )
      5.000     5.000     0.000 peak 10712 weight  0.10000E+01 volume -0.16630E+01 ppm1      1.913 ppm2      1.139
 ASSI (
     (segid "    " and resid "80  " and name "HB  ")
 )(
     (segid "    " and resid "102 " and name "HA  ")
  OR 
     (segid "    " and resid "81  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10713 weight  0.10000E+01 volume -0.84600E+00 ppm1      1.922 ppm2      3.897
 ASSI (
     (segid "    " and resid "82  " and name "HA  ")
 )(
     (segid "    " and resid "85  " and name "HB2 ")
  OR 
     (segid "    " and resid "85  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10714 weight  0.10000E+01 volume  0.15880E+01 ppm1      4.441 ppm2      2.048
 ASSI (
     (segid "    " and resid "82  " and name "HA  ")
 )(
     (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 10715 weight  0.10000E+01 volume  0.50400E+00 ppm1      4.454 ppm2      1.231
 ASSI (
     (segid "    " and resid "82  " and name "HA  ")
 )(
     (segid "    " and resid "86  " and name "HG23")
  OR 
     (segid "    " and resid "86  " and name "HG22")
  OR 
     (segid "    " and resid "86  " and name "HG21")
 )
      5.000     5.000     0.000 peak 10716 weight  0.10000E+01 volume  0.45100E+00 ppm1      4.450 ppm2      1.328
 ASSI (
     (segid "    " and resid "2   " and name "HA  ")
 )(
     (segid "    " and resid "5   " and name "HD12")
  OR 
     (segid "    " and resid "5   " and name "HD11")
  OR 
     (segid "    " and resid "4   " and name "HD13")
  OR 
     (segid "    " and resid "4   " and name "HD11")
 )
      6.000     6.000     0.000 peak 10717 weight  0.10000E+01 volume  0.25700E+00 ppm1      4.453 ppm2      0.952
 ASSI (
     (segid "    " and resid "82  " and name "HA  ")
 )(
     (segid "    " and resid "85  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10718 weight  0.10000E+01 volume  0.31300E+00 ppm1      4.448 ppm2      1.759
 ASSI (
     (segid "    " and resid "129 " and name "HA  ")
 )(
     (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 10719 weight  0.10000E+01 volume  0.36200E+00 ppm1      3.758 ppm2      3.517
 ASSI (
     (segid "    " and resid "82  " and name "HA  ")
  OR 
     (segid "    " and resid "2   " and name "HA  ")
 )(
     (segid "    " and resid "85  " and name "HG2 ")
  OR 
     (segid "    " and resid "5   " and name "HB2 ")
  OR 
     (segid "    " and resid "4   " and name "HG  ")
  OR 
     (segid "    " and resid "4   " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10720 weight  0.10000E+01 volume  0.20100E+00 ppm1      4.447 ppm2      1.604
 ASSI (
     (segid "    " and resid "129 " and name "HA  ")
  OR 
     (segid "    " and resid "89  " and name "HA  ")
  OR 
     (segid "    " and resid "81  " and name "HB1 ")
  OR 
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "130 " and name "HD1 ")
  OR 
     (segid "    " and resid "127 " and name "HB1 ")
  OR 
     (segid "    " and resid "88  " and name "HB1 ")
  OR 
     (segid "    " and resid "85  " and name "HD1 ")
  OR 
     (segid "    " and resid "58  " and name "HA  ")
 )
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 ASSI (
     (segid "    " and resid "88  " and name "HA  ")
  OR 
     (segid "    " and resid "31  " and name "HA  ")
  OR 
     (segid "    " and resid "12  " and name "HA  ")
 )(
     (segid "    " and resid "89  " and name "HD12")
  OR 
     (segid "    " and resid "89  " and name "HD11")
  OR 
     (segid "    " and resid "50  " and name "HG11")
  OR 
     (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 10722 weight  0.10000E+01 volume  0.98900E+00 ppm1      4.634 ppm2      0.841
 ASSI (
     (segid "    " and resid "144 " and name "HB2 ")
 )(
     (segid "    " and resid "144 " and name "HG2 ")
 )
      6.000     6.000     0.000 peak 10723 weight  0.10000E+01 volume -0.26200E+00 ppm1      1.778 ppm2      0.533
 ASSI (
     (segid "    " and resid "147 " and name "HA  ")
 )(
     (segid "    " and resid "150 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10724 weight  0.10000E+01 volume  0.99500E+00 ppm1      4.211 ppm2      2.400
 ASSI (
     (segid "    " and resid "124 " and name "HB  ")
 )(
     (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 10725 weight  0.10000E+01 volume -0.19120E+01 ppm1      2.396 ppm2      1.495
 ASSI (
     (segid "    " and resid "160 " and name "HA  ")
 )(
     (segid "    " and resid "163 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak 10726 weight  0.10000E+01 volume  0.26500E+00 ppm1      3.889 ppm2      7.012
 ASSI (
     (segid "    " and resid "36  " and name "HB2 ")
 )(
     (segid "    " and resid "36  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak 10727 weight  0.10000E+01 volume -0.11600E+00 ppm1      2.876 ppm2      7.177
 ASSI (
     (segid "    " and resid "12  " and name "HA  ")
 )(
     (segid "    " and resid "43  " and name "HB2 ")
  OR 
     (segid "    " and resid "41  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10728 weight  0.10000E+01 volume  0.65600E+00 ppm1      4.635 ppm2      2.837
 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")
 )
      3.300     3.300     0.000 peak 10729 weight  0.10000E+01 volume  0.29120E+01 ppm1      4.209 ppm2      0.888
 ASSI (
     (segid "    " and resid "147 " and name "HA  ")
 )(
     (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 10730 weight  0.10000E+01 volume  0.15420E+01 ppm1      4.210 ppm2      0.755
 ASSI (
     (segid "    " and resid "60  " and name "HA  ")
 )(
     (segid "    " and resid "95  " and name "HB2 ")
  OR 
     (segid "    " and resid "91  " and name "HG23")
  OR 
     (segid "    " and resid "91  " and name "HG22")
  OR 
     (segid "    " and resid "91  " and name "HG21")
  OR 
     (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 10731 weight  0.10000E+01 volume  0.40500E+00 ppm1      3.630 ppm2      1.114
 ASSI (
     (segid "    " and resid "75  " and name "HA  ")
  OR 
     (segid "    " and resid "31  " and name "HA  ")
  OR 
     (segid "    " and resid "12  " and name "HA  ")
 )(
     (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 "30  " and name "HB1 ")
  OR 
     (segid "    " and resid "19  " and name "HB1 ")
  OR 
     (segid "    " and resid "17  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10732 weight  0.10000E+01 volume  0.51100E+00 ppm1      4.658 ppm2      1.550
 ASSI (
     (segid "    " and resid "163 " and name "HB1 ")
  OR 
     (segid "    " and resid "81  " and name "HB2 ")
 )(
     (segid "    " and resid "159 " and name "HG23")
  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "134 " and name "HD13")
  OR 
     (segid "    " and resid "134 " and name "HD12")
  OR 
     (segid "    " and resid "80  " and name "HG13")
  OR 
     (segid "    " and resid "80  " and name "HG12")
  OR 
     (segid "    " and resid "80  " and name "HG11")
 )
      6.000     6.000     0.000 peak 10733 weight  0.10000E+01 volume -0.28300E+00 ppm1      3.268 ppm2      0.937
 ASSI (
     (segid "    " and resid "124 " and name "HB  ")
 )(
     (segid "    " and resid "121 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10734 weight  0.10000E+01 volume -0.50600E+00 ppm1      2.394 ppm2      3.141
 ASSI (
     (segid "    " and resid "137 " and name "HB1 ")
 )(
     (segid "    " and resid "144 " and name "HD2 ")
  OR 
     (segid "    " and resid "141 " and name "HA2 ")
 )
      6.000     6.000     0.000 peak 10735 weight  0.10000E+01 volume -0.25700E+00 ppm1      1.540 ppm2      3.701
 ASSI (
     (segid "    " and resid "124 " and name "HB  ")
 )(
     (segid "    " and resid "121 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10736 weight  0.10000E+01 volume -0.78000E-01 ppm1      2.394 ppm2      5.222
 ASSI (
     (segid "    " and resid "36  " and name "HB1 ")
 )(
     (segid "    " and resid "36  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak 10737 weight  0.10000E+01 volume -0.16900E+00 ppm1      3.194 ppm2      7.171
 ASSI (
     (segid "    " and resid "160 " and name "HA  ")
 )(
     (segid "    " and resid "163 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 10738 weight  0.10000E+01 volume  0.21000E+00 ppm1      3.888 ppm2      2.716
 ASSI (
     (segid "    " and resid "163 " and name "HB2 ")
 )(
     (segid "    " and resid "159 " and name "HG22")
  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 10739 weight  0.10000E+01 volume -0.32600E+00 ppm1      2.719 ppm2      0.935
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HG2 ")
  OR 
     (segid "    " and resid "61  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10740 weight  0.10000E+01 volume  0.24100E+00 ppm1      3.774 ppm2      2.458
 ASSI (
     (segid "    " and resid "62  " and name "HA  ")
 )(
     (segid "    " and resid "65  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10741 weight  0.10000E+01 volume  0.37200E+00 ppm1      3.775 ppm2      2.177
 ASSI (
     (segid "    " and resid "160 " and name "HA  ")
 )(
     (segid "    " and resid "164 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10742 weight  0.10000E+01 volume  0.21100E+00 ppm1      3.909 ppm2      4.455
 ASSI (
     (segid "    " and resid "60  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HD13")
  OR 
     (segid "    " and resid "63  " and name "HD12")
  OR 
     (segid "    " and resid "63  " and name "HD11")
 )
      5.000     5.000     0.000 peak 10743 weight  0.10000E+01 volume  0.14130E+01 ppm1      3.632 ppm2      0.648
 ASSI (
     (segid "    " and resid "60  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HD23")
  OR 
     (segid "    " and resid "63  " and name "HD21")
  OR 
     (segid "    " and resid "63  " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10744 weight  0.10000E+01 volume  0.78900E+00 ppm1      3.628 ppm2      0.848
 ASSI (
     (segid "    " and resid "147 " and name "HA  ")
 )(
     (segid "    " and resid "150 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10745 weight  0.10000E+01 volume  0.17670E+01 ppm1      4.207 ppm2      2.209
 ASSI (
     (segid "    " and resid "60  " 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 10746 weight  0.10000E+01 volume  0.30000E+00 ppm1      3.628 ppm2      1.301
 ASSI (
     (segid "    " and resid "60  " and name "HA  ")
 )(
     (segid "    " and resid "95  " and name "HA  ")
  OR 
     (segid "    " and resid "63  " and name "HA  ")
  OR 
     (segid "    " and resid "61  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10747 weight  0.10000E+01 volume  0.13400E+00 ppm1      3.629 ppm2      3.892
 ASSI (
     (segid "    " and resid "60  " and name "HA  ")
 )(
     (segid "    " and resid "94  " and name "HG11")
  OR 
     (segid "    " and resid "63  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10748 weight  0.10000E+01 volume  0.49200E+00 ppm1      3.629 ppm2      1.198
 ASSI (
     (segid "    " and resid "90  " and name "HA  ")
 )(
     (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")
 )
      5.000     5.000     0.000 peak 10749 weight  0.10000E+01 volume  0.34200E+00 ppm1      4.251 ppm2      0.608
 ASSI (
     (segid "    " and resid "124 " and name "HB  ")
 )(
     (segid "    " and resid "121 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10751 weight  0.10000E+01 volume -0.34700E+00 ppm1      2.394 ppm2      3.032
 ASSI (
     (segid "    " and resid "49  " and name "HA  ")
  OR 
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "79  " and name "HB2 ")
  OR 
     (segid "    " and resid "42  " and name "HB1 ")
 )
      3.300     3.300     0.000 peak 10752 weight  0.10000E+01 volume  0.29420E+01 ppm1      4.157 ppm2      1.944
 ASSI (
     (segid "    " and resid "137 " 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")
  OR 
     (segid "    " and resid "117 " and name "HD13")
  OR 
     (segid "    " and resid "105 " and name "HD13")
  OR 
     (segid "    " and resid "105 " and name "HD12")
  OR 
     (segid "    " and resid "105 " and name "HD11")
 )
      6.000     6.000     0.000 peak 10753 weight  0.10000E+01 volume -0.14300E+00 ppm1      1.270 ppm2      0.865
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak 10754 weight  0.10000E+01 volume  0.29900E+00 ppm1      4.156 ppm2      0.275
 ASSI (
     (segid "    " and resid "42  " and name "HA  ")
 )(
     (segid "    " and resid "42  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10755 weight  0.10000E+01 volume  0.10780E+01 ppm1      4.156 ppm2      1.275
 ASSI (
     (segid "    " and resid "145 " and name "HA  ")
  OR 
     (segid "    " and resid "29  " and name "HA  ")
 )(
     (segid "    " and resid "147 " and name "HA  ")
  OR 
     (segid "    " and resid "30  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10756 weight  0.10000E+01 volume  0.39900E+00 ppm1      3.917 ppm2      4.220
 ASSI (
     (segid "    " and resid "131 " and name "HB2 ")
 )(
     (segid "    " and resid "128 " and name "HD23")
  OR 
     (segid "    " and resid "102 " and name "HG23")
  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 10757 weight  0.10000E+01 volume -0.12790E+01 ppm1      1.486 ppm2      0.872
 ASSI (
     (segid "    " and resid "94  " and name "HB  ")
 )(
     (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 10758 weight  0.10000E+01 volume -0.10220E+01 ppm1      2.260 ppm2      1.326
 ASSI (
     (segid "    " and resid "160 " and name "HA  ")
 )(
     (segid "    " and resid "164 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10759 weight  0.10000E+01 volume  0.20900E+00 ppm1      3.872 ppm2      4.469
 ASSI (
     (segid "    " and resid "69  " and name "HB2 ")
 )(
     (segid "    " and resid "95  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10760 weight  0.10000E+01 volume -0.56500E+00 ppm1      1.673 ppm2      2.287
 ASSI (
     (segid "    " and resid "166 " and name "HA  ")
 )(
     (segid "    " and resid "168 " and name "HB2 ")
  OR 
     (segid "    " and resid "167 " and name "HG2 ")
  OR 
     (segid "    " and resid "167 " and name "HB2 ")
  OR 
     (segid "    " and resid "164 " and name "HE1 ")
  OR 
     (segid "    " and resid "134 " and name "HG  ")
 )
      5.000     5.000     0.000 peak 10761 weight  0.10000E+01 volume  0.41800E+00 ppm1      4.510 ppm2      2.000
 ASSI (
     (segid "    " and resid "136 " and name "HA  ")
 )(
     (segid "    " and resid "133 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10762 weight  0.10000E+01 volume  0.37200E+00 ppm1      4.266 ppm2      2.928
 ASSI (
     (segid "    " and resid "136 " 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")
  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 10763 weight  0.10000E+01 volume  0.54300E+00 ppm1      4.268 ppm2      1.209
 ASSI (
     (segid "    " and resid "166 " and name "HA  ")
 )(
     (segid "    " and resid "167 " and name "HD2 ")
 )
      3.300     3.300     0.000 peak 10764 weight  0.10000E+01 volume  0.21110E+01 ppm1      4.524 ppm2      3.731
 ASSI (
     (segid "    " and resid "166 " and name "HA  ")
 )(
     (segid "    " and resid "168 " and name "HE2 ")
  OR 
     (segid "    " and resid "167 " and name "HG1 ")
  OR 
     (segid "    " and resid "165 " and name "HE3 ")
  OR 
     (segid "    " and resid "165 " and name "HE1 ")
  OR 
     (segid "    " and resid "165 " and name "HB2 ")
  OR 
     (segid "    " and resid "165 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10765 weight  0.10000E+01 volume  0.22500E+00 ppm1      4.532 ppm2      2.119
 ASSI (
     (segid "    " and resid "69  " and name "HB2 ")
  OR 
     (segid "    " and resid "37  " and name "HB2 ")
 )(
     (segid "    " and resid "69  " and name "HD2 ")
  OR 
     (segid "    " and resid "69  " and name "HD1 ")
  OR 
     (segid "    " and resid "37  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10766 weight  0.10000E+01 volume -0.98000E+00 ppm1      1.694 ppm2      4.102
 ASSI (
     (segid "    " and resid "97  " and name "HA  ")
  OR 
     (segid "    " and resid "14  " and name "HA  ")
 )(
     (segid "    " and resid "131 " and name "HA  ")
  OR 
     (segid "    " and resid "41  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10767 weight  0.10000E+01 volume  0.21200E+00 ppm1      4.109 ppm2      4.512
 ASSI (
     (segid "    " and resid "140 " 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 ")
 )
      6.000     6.000     0.000 peak 10768 weight  0.10000E+01 volume  0.29700E+00 ppm1      4.504 ppm2      1.400
 ASSI (
     (segid "    " and resid "165 " and name "HB2 ")
  OR 
     (segid "    " and resid "52  " and name "HB1 ")
  OR 
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "166 " and name "HG11")
  OR 
     (segid "    " and resid "48  " and name "HB1 ")
  OR 
     (segid "    " and resid "45  " and name "HD1 ")
  OR 
     (segid "    " and resid "45  " and name "HB2 ")
  OR 
     (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 10769 weight  0.10000E+01 volume -0.87700E+00 ppm1      2.120 ppm2      1.553
 ASSI (
     (segid "    " and resid "166 " and name "HA  ")
 )(
     (segid "    " and resid "168 " and name "HG2 ")
  OR 
     (segid "    " and resid "168 " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10770 weight  0.10000E+01 volume  0.19800E+00 ppm1      4.522 ppm2      2.580
 ASSI (
     (segid "    " and resid "52  " and name "HB1 ")
  OR 
     (segid "    " and resid "49  " and name "HB2 ")
 )(
     (segid "    " and resid "73  " and name "HB1 ")
  OR 
     (segid "    " and resid "21  " and name "HA2 ")
 )
      6.000     6.000     0.000 peak 10771 weight  0.10000E+01 volume -0.28700E+00 ppm1      2.127 ppm2      3.568
 ASSI (
     (segid "    " and resid "165 " and name "HB2 ")
  OR 
     (segid "    " and resid "165 " and name "HB1 ")
 )(
     (segid "    " and resid "167 " and name "HD2 ")
 )
      5.000     5.000     0.000 peak 10772 weight  0.10000E+01 volume -0.48400E+00 ppm1      2.127 ppm2      3.701
 ASSI (
     (segid "    " and resid "79  " and name "HB2 ")
 )(
     (segid "    " and resid "53  " and name "HZ  ")
 )
      6.000     6.000     0.000 peak 10773 weight  0.10000E+01 volume -0.11200E+00 ppm1      1.993 ppm2      7.437
 ASSI (
     (segid "    " and resid "79  " and name "HB1 ")
 )(
     (segid "    " and resid "95  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD21")
  OR 
     (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 10774 weight  0.10000E+01 volume -0.16650E+01 ppm1      2.451 ppm2      0.813
 ASSI (
     (segid "    " and resid "69  " and name "HB2 ")
 )(
     (segid "    " and resid "100 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10775 weight  0.10000E+01 volume -0.97900E+00 ppm1      1.700 ppm2      4.242
 ASSI (
     (segid "    " and resid "79  " and name "HB1 ")
 )(
     (segid "    " and resid "100 " and name "HA  ")
  OR 
     (segid "    " and resid "78  " and name "HB2 ")
  OR 
     (segid "    " and resid "52  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10776 weight  0.10000E+01 volume -0.40400E+00 ppm1      2.447 ppm2      4.252
 ASSI (
     (segid "    " and resid "136 " and name "HB2 ")
 )(
     (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 10777 weight  0.10000E+01 volume -0.33500E+00 ppm1      3.060 ppm2      1.194
 ASSI (
     (segid "    " and resid "150 " and name "HA  ")
  OR 
     (segid "    " and resid "146 " and name "HA  ")
 )(
     (segid "    " and resid "151 " and name "HD1 ")
  OR 
     (segid "    " and resid "149 " and name "HD2 ")
  OR 
     (segid "    " and resid "149 " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 10778 weight  0.10000E+01 volume  0.36400E+00 ppm1      3.998 ppm2      3.247
 ASSI (
     (segid "    " and resid "93  " and name "HB2 ")
  OR 
     (segid "    " and resid "69  " and name "HB2 ")
 )(
     (segid "    " and resid "97  " and name "HG2 ")
  OR 
     (segid "    " and resid "69  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10779 weight  0.10000E+01 volume -0.13650E+01 ppm1      1.700 ppm2      2.127
 ASSI (
     (segid "    " and resid "35  " and name "HB  ")
 )(
     (segid "    " and resid "30  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10780 weight  0.10000E+01 volume -0.58700E+00 ppm1      1.579 ppm2      4.228
 ASSI (
     (segid "    " and resid "132 " and name "HA  ")
 )(
     (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")
 )
      5.000     5.000     0.000 peak 10781 weight  0.10000E+01 volume  0.34500E+00 ppm1      5.095 ppm2      0.718
 ASSI (
     (segid "    " and resid "132 " and name "HA  ")
 )(
     (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 10782 weight  0.10000E+01 volume  0.10700E+01 ppm1      5.099 ppm2      0.870
 ASSI (
     (segid "    " and resid "132 " and name "HA  ")
 )(
     (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 10783 weight  0.10000E+01 volume  0.13300E+00 ppm1      5.091 ppm2      1.190
 ASSI (
     (segid "    " and resid "97  " and name "HA  ")
 )(
     (segid "    " and resid "131 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10784 weight  0.10000E+01 volume  0.41400E+00 ppm1      4.107 ppm2      1.511
 ASSI (
     (segid "    " and resid "35  " and name "HB  ")
 )(
     (segid "    " and resid "30  " and name "HD23")
  OR 
     (segid "    " and resid "30  " and name "HD21")
  OR 
     (segid "    " and resid "29  " and name "HD22")
  OR 
     (segid "    " and resid "29  " and name "HD21")
 )
      5.000     5.000     0.000 peak 10785 weight  0.10000E+01 volume -0.87800E+00 ppm1      1.576 ppm2      0.770
 ASSI (
     (segid "    " and resid "97  " and name "HA  ")
 )(
     (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 "93  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10786 weight  0.10000E+01 volume  0.95600E+00 ppm1      4.101 ppm2      1.123
 ASSI (
     (segid "    " and resid "161 " and name "HA  ")
  OR 
     (segid "    " and resid "150 " and name "HA  ")
  OR 
     (segid "    " and resid "146 " and name "HA  ")
 )(
     (segid "    " and resid "158 " and name "HA  ")
  OR 
     (segid "    " and resid "149 " and name "HA  ")
  OR 
     (segid "    " and resid "144 " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 10787 weight  0.10000E+01 volume  0.59700E+00 ppm1      4.012 ppm2      4.343
 ASSI (
     (segid "    " and resid "97  " and name "HA  ")
 )(
     (segid "    " and resid "131 " and name "HA  ")
  OR 
     (segid "    " and resid "98  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10788 weight  0.10000E+01 volume  0.19200E+00 ppm1      4.104 ppm2      4.552
 ASSI (
     (segid "    " and resid "95  " and name "HA  ")
 )(
     (segid "    " and resid "63  " and name "HD13")
  OR 
     (segid "    " and resid "63  " and name "HD12")
  OR 
     (segid "    " and resid "63  " and name "HD11")
 )
      5.000     5.000     0.000 peak 10789 weight  0.10000E+01 volume  0.19430E+01 ppm1      3.921 ppm2      0.648
 ASSI (
     (segid "    " and resid "161 " and name "HA  ")
 )(
     (segid "    " and resid "164 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10790 weight  0.10000E+01 volume  0.44400E+00 ppm1      4.017 ppm2      2.698
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (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 "80  " and name "HG23")
  OR 
     (segid "    " and resid "80  " and name "HG22")
  OR 
     (segid "    " and resid "80  " and name "HG21")
 )
      6.000     6.000     0.000 peak 10791 weight  0.10000E+01 volume  0.28900E+00 ppm1      3.745 ppm2      0.832
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (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 "115 " and name "HD23")
  OR 
     (segid "    " and resid "115 " and name "HD22")
  OR 
     (segid "    " and resid "115 " and name "HD21")
  OR 
     (segid "    " and resid "92  " and name "HD13")
  OR 
     (segid "    " and resid "92  " and name "HD12")
 )
      5.000     5.000     0.000 peak 10792 weight  0.10000E+01 volume  0.57400E+00 ppm1      3.762 ppm2      0.961
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (segid "    " and resid "115 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10793 weight  0.10000E+01 volume  0.53800E+00 ppm1      3.750 ppm2      1.354
 ASSI (
     (segid "    " and resid "46  " and name "HA  ")
 )(
     (segid "    " and resid "40  " and name "HD23")
  OR 
     (segid "    " and resid "40  " and name "HD22")
  OR 
     (segid "    " and resid "40  " and name "HD21")
 )
      5.000     5.000     0.000 peak 10794 weight  0.10000E+01 volume  0.41700E+00 ppm1      4.770 ppm2      0.653
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (segid "    " and resid "115 " and name "HA  ")
  OR 
     (segid "    " and resid "84  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10795 weight  0.10000E+01 volume  0.85000E+00 ppm1      3.751 ppm2      4.034
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (segid "    " and resid "121 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak 10796 weight  0.10000E+01 volume  0.19100E+00 ppm1      3.758 ppm2      7.261
 ASSI (
     (segid "    " and resid "161 " and name "HA  ")
 )(
     (segid "    " and resid "164 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10797 weight  0.10000E+01 volume  0.17500E+00 ppm1      4.019 ppm2      4.485
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (segid "    " and resid "119 " and name "HB2 ")
  OR 
     (segid "    " and resid "85  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak 10798 weight  0.10000E+01 volume  0.86400E+00 ppm1      3.746 ppm2      1.609
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (segid "    " and resid "85  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak 10799 weight  0.10000E+01 volume  0.15500E+00 ppm1      3.745 ppm2      3.216
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (segid "    " and resid "85  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10800 weight  0.10000E+01 volume  0.73700E+00 ppm1      3.755 ppm2      1.756
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (segid "    " and resid "119 " and name "HG2 ")
 )
      5.000     5.000     0.000 peak 10801 weight  0.10000E+01 volume  0.33500E+00 ppm1      3.744 ppm2      2.388
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (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 ")
 )
      5.000     5.000     0.000 peak 10802 weight  0.10000E+01 volume  0.60600E+00 ppm1      3.744 ppm2      1.480
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (segid "    " and resid "116 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10803 weight  0.10000E+01 volume  0.60700E+00 ppm1      3.754 ppm2      4.130
 ASSI (
     (segid "    " and resid "46  " and name "HA  ")
 )(
     (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 "HG11")
  OR 
     (segid "    " and resid "40  " and name "HD13")
  OR 
     (segid "    " and resid "40  " and name "HD12")
  OR 
     (segid "    " and resid "40  " and name "HD11")
 )
      5.000     5.000     0.000 peak 10805 weight  0.10000E+01 volume  0.36900E+00 ppm1      4.773 ppm2      0.895
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (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 10806 weight  0.10000E+01 volume  0.35000E+00 ppm1      3.745 ppm2      1.232
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (segid "    " and resid "85  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak 10807 weight  0.10000E+01 volume  0.19300E+00 ppm1      3.759 ppm2      3.459
 ASSI (
     (segid "    " and resid "24  " and name "HA  ")
 )(
     (segid "    " and resid "28  " and name "HD1 ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
  OR 
     (segid "    " and resid "23  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10808 weight  0.10000E+01 volume  0.19200E+00 ppm1      4.015 ppm2      3.401
 ASSI (
     (segid "    " and resid "85  " and name "HA  ")
 )(
     (segid "    " and resid "119 " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10809 weight  0.10000E+01 volume  0.19300E+00 ppm1      3.739 ppm2      2.986
 ASSI (
     (segid "    " and resid "164 " and name "HG2 ")
 )(
     (segid "    " and resid "134 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10810 weight  0.10000E+01 volume -0.44800E+00 ppm1      2.343 ppm2      1.601
 ASSI (
     (segid "    " and resid "24  " and name "HA  ")
 )(
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 10811 weight  0.10000E+01 volume  0.62200E+00 ppm1      4.019 ppm2      3.103
 ASSI (
     (segid "    " and resid "164 " and name "HG1 ")
 )(
     (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 10812 weight  0.10000E+01 volume -0.75100E+00 ppm1      2.707 ppm2      0.930
 ASSI (
     (segid "    " and resid "164 " and name "HG1 ")
 )(
     (segid "    " and resid "163 " and name "HB1 ")
  OR 
     (segid "    " and resid "135 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10813 weight  0.10000E+01 volume -0.10200E+00 ppm1      2.709 ppm2      3.267
 ASSI (
     (segid "    " and resid "164 " and name "HG1 ")
 )(
     (segid "    " and resid "161 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10814 weight  0.10000E+01 volume -0.14100E+00 ppm1      2.695 ppm2      4.021
 ASSI (
     (segid "    " and resid "164 " and name "HG2 ")
 )(
     (segid "    " and resid "134 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 10817 weight  0.10000E+01 volume  0.10600E+00 ppm1      2.343 ppm2      1.604
 ASSI (
     (segid "    " and resid "164 " and name "HG1 ")
 )(
     (segid "    " and resid "134 " and name "HD13")
  OR 
     (segid "    " and resid "134 " and name "HD12")
  OR 
     (segid "    " and resid "134 " and name "HD11")
 )
      6.000     6.000     0.000 peak 10818 weight  0.10000E+01 volume  0.26800E+00 ppm1      2.711 ppm2      0.930
 ASSI (
     (segid "    " and resid "164 " and name "HG1 ")
 )(
     (segid "    " and resid "134 " and name "HD13")
  OR 
     (segid "    " and resid "134 " and name "HD12")
  OR 
     (segid "    " and resid "134 " and name "HD11")
 )
      6.000     6.000     0.000 peak 10819 weight  0.10000E+01 volume  0.26800E+00 ppm1      2.714 ppm2      0.930
 ASSI (
     (segid "    " and resid "164 " and name "HG2 ")
 )(
     (segid "    " and resid "134 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 10820 weight  0.10000E+01 volume  0.13800E+00 ppm1      2.343 ppm2      1.606
 ASSI (
     (segid "    " and resid "164 " and name "HG2 ")
 )(
     (segid "    " and resid "134 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 10821 weight  0.10000E+01 volume  0.13800E+00 ppm1      2.342 ppm2      1.608
 ASSI (
     (segid "    " and resid "64  " and name "HA  ")
  OR 
     (segid "    " and resid "13  " and name "HA  ")
 )(
     (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 "29  " and name "HD23")
  OR 
     (segid "    " and resid "29  " and name "HD21")
 )
      5.000     5.000     0.000 peak  9648 weight  0.10000E+01 volume -0.46900E+00 ppm1      4.119 ppm2      0.774
 ASSI (
     (segid "    " and resid "149 " and name "HA  ")
 )(
     (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  9651 weight  0.10000E+01 volume -0.39000E+00 ppm1      4.342 ppm2      1.433
 ASSI (
     (segid "    " and resid "50  " and name "HA  ")
 )(
     (segid "    " and resid "45  " and name "HD1 ")
  OR 
     (segid "    " and resid "45  " and name "HB2 ")
  OR 
     (segid "    " and resid "19  " and name "HB3 ")
  OR 
     (segid "    " and resid "19  " and name "HB2 ")
  OR 
     (segid "    " and resid "19  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10822 weight  0.10000E+01 volume -0.24300E+00 ppm1      4.657 ppm2      1.535
 ASSI (
     (segid "    " and resid "149 " and name "HA  ")
 )(
     (segid "    " and resid "152 " and name "HA1 ")
  OR 
     (segid "    " and resid "150 " and name "HA  ")
  OR 
     (segid "    " and resid "146 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10823 weight  0.10000E+01 volume -0.65200E+00 ppm1      4.335 ppm2      4.002
 ASSI (
     (segid "    " and resid "143 " and name "HA  ")
 )(
     (segid "    " and resid "137 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10824 weight  0.10000E+01 volume -0.44200E+00 ppm1      5.382 ppm2      4.235
 ASSI (
     (segid "    " and resid "143 " and name "HA  ")
 )(
     (segid "    " and resid "144 " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 10825 weight  0.10000E+01 volume -0.49400E+00 ppm1      5.382 ppm2      4.288
 ASSI (
     (segid "    " and resid "27  " and name "HA  ")
 )(
     (segid "    " and resid "31  " and name "HD2 ")
 )
      5.000     5.000     0.000 peak 10826 weight  0.10000E+01 volume -0.55800E+00 ppm1      3.672 ppm2      6.950
 ASSI (
     (segid "    " and resid "127 " 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")
  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 "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 "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")
  OR 
     (segid "    " and resid "92  " and name "HD11")
 )
      5.000     5.000     0.000 peak 10827 weight  0.10000E+01 volume -0.97100E+00 ppm1      4.304 ppm2      0.942
 ASSI (
     (segid "    " and resid "127 " and name "HA  ")
 )(
     (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")
 )
      5.000     5.000     0.000 peak 10828 weight  0.10000E+01 volume -0.43700E+00 ppm1      4.303 ppm2      0.605
 ASSI (
     (segid "    " and resid "93  " and name "HA  ")
 )(
     (segid "    " and resid "93  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak 10829 weight  0.10000E+01 volume -0.11210E+01 ppm1      3.701 ppm2      0.632
 ASSI (
     (segid "    " and resid "93  " and name "HA  ")
 )(
     (segid "    " and resid "96  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  9711 weight  0.10000E+01 volume -0.90200E+00 ppm1      3.701 ppm2      2.340
 ASSI (
     (segid "    " and resid "127 " and name "HA  ")
 )(
     (segid "    " and resid "159 " and name "HA  ")
  OR 
     (segid "    " and resid "129 " and name "HA  ")
  OR 
     (segid "    " and resid "124 " and name "HA  ")
  OR 
     (segid "    " and resid "93  " and name "HA  ")
  OR 
     (segid "    " and resid "89  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10830 weight  0.10000E+01 volume -0.30000E+00 ppm1      4.303 ppm2      3.734
 ASSI (
     (segid "    " and resid "108 " 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 ")
 )
      5.000     5.000     0.000 peak 10831 weight  0.10000E+01 volume -0.12330E+01 ppm1      4.620 ppm2      1.400
 ASSI (
     (segid "    " and resid "123 " and name "HA  ")
 )(
     (segid "    " and resid "159 " and name "HD12")
  OR 
     (segid "    " and resid "159 " and name "HD11")
  OR 
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  OR 
     (segid "    " and resid "159 " and name "HG22")
  OR 
     (segid "    " and resid "159 " and name "HG21")
  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")
 )
      5.000     5.000     0.000 peak 10832 weight  0.10000E+01 volume -0.39000E+00 ppm1      4.336 ppm2      0.922
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "88  " and name "HD2 ")
  OR 
     (segid "    " and resid "88  " and name "HD1 ")
  OR 
     (segid "    " and resid "53  " and name "HZ  ")
 )
      6.000     6.000     0.000 peak 10833 weight  0.10000E+01 volume -0.94000E-01 ppm1      3.899 ppm2      7.438
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak 10834 weight  0.10000E+01 volume -0.14300E+00 ppm1      3.899 ppm2      7.321
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "88  " and name "HB1 ")
  OR 
     (segid "    " and resid "51  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10835 weight  0.10000E+01 volume -0.17400E+00 ppm1      3.915 ppm2      3.448
 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 10836 weight  0.10000E+01 volume -0.18500E+00 ppm1      4.021 ppm2      0.605
 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 10837 weight  0.10000E+01 volume -0.11300E+01 ppm1      3.910 ppm2      1.141
 ASSI (
     (segid "    " and resid "53  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HB  ")
  OR 
     (segid "    " and resid "51  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10838 weight  0.10000E+01 volume -0.20300E+00 ppm1      3.907 ppm2      2.311
 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")
  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 "HD12")
 )
      5.000     5.000     0.000 peak 10840 weight  0.10000E+01 volume -0.17960E+01 ppm1      3.791 ppm2      0.737
 ASSI (
     (segid "    " and resid "126 " and name "HB2 ")
  OR 
     (segid "    " and resid "126 " and name "HB1 ")
 )(
     (segid "    " and resid "159 " and name "HG11")
  OR 
     (segid "    " and resid "159 " and name "HB  ")
 )
      5.000     5.000     0.000 peak 10841 weight  0.10000E+01 volume -0.30100E+00 ppm1      3.878 ppm2      1.903
 ASSI (
     (segid "    " and resid "126 " and name "HB2 ")
  OR 
     (segid "    " and resid "126 " and name "HB1 ")
 )(
     (segid "    " and resid "125 " and name "HB  ")
 )
      5.000     5.000     0.000 peak 10842 weight  0.10000E+01 volume -0.57100E+00 ppm1      3.878 ppm2      2.245
 ASSI (
     (segid "    " and resid "126 " and name "HA  ")
  OR 
     (segid "    " and resid "107 " and name "HB2 ")
  OR 
     (segid "    " and resid "107 " and name "HB1 ")
  OR 
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "128 " and name "HB1 ")
  OR 
     (segid "    " and resid "113 " and name "HB  ")
  OR 
     (segid "    " and resid "105 " and name "HG  ")
  OR 
     (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  9756 weight  0.10000E+01 volume -0.21600E+00 ppm1      3.988 ppm2      1.690
 ASSI (
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
  OR 
     (segid "    " and resid "56  " and name "HB1 ")
  OR 
     (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 10843 weight  0.10000E+01 volume -0.44900E+00 ppm1      3.682 ppm2      2.083
 ASSI (
     (segid "    " and resid "126 " and name "HA  ")
  OR 
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "165 " and name "HE2 ")
  OR 
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
  OR 
     (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 ")
 )
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 ASSI (
     (segid "    " and resid "55  " and name "HB1 ")
 )(
     (segid "    " and resid "58  " and name "HB  ")
 )
      5.000     5.000     0.000 peak  9761 weight  0.10000E+01 volume -0.57900E+00 ppm1      3.988 ppm2      2.319
 ASSI (
     (segid "    " and resid "110 " and name "HB2 ")
  OR 
     (segid "    " and resid "55  " and name "HB2 ")
 )(
     (segid "    " and resid "109 " and name "HA1 ")
  OR 
     (segid "    " and resid "56  " and name "HA  ")
  OR 
     (segid "    " and resid "21  " and name "HA1 ")
 )
      5.000     5.000     0.000 peak 10845 weight  0.10000E+01 volume -0.42200E+00 ppm1      3.685 ppm2      4.275
 ASSI (
     (segid "    " and resid "35  " and name "HA  ")
 )(
     (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 "HG12")
  OR 
     (segid "    " and resid "10  " and name "HG11")
 )
      5.000     5.000     0.000 peak 10846 weight  0.10000E+01 volume -0.83000E+00 ppm1      3.796 ppm2      1.121
 ASSI (
     (segid "    " and resid "35  " 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 ")
  OR 
     (segid "    " and resid "34  " and name "HG  ")
  OR 
     (segid "    " and resid "14  " and name "HB2 ")
 )
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 ASSI (
     (segid "    " and resid "69  " 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 ")
  OR 
     (segid "    " and resid "95  " and name "HB2 ")
  OR 
     (segid "    " and resid "67  " and name "HB3 ")
  OR 
     (segid "    " and resid "67  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10848 weight  0.10000E+01 volume -0.49800E+00 ppm1      4.406 ppm2      1.135
 ASSI (
     (segid "    " and resid "69  " and name "HA  ")
 )(
     (segid "    " and resid "48  " and name "HD13")
  OR 
     (segid "    " and resid "48  " and name "HD12")
  OR 
     (segid "    " and resid "48  " and name "HD11")
 )
      3.300     3.300     0.000 peak 10849 weight  0.10000E+01 volume -0.32590E+01 ppm1      4.408 ppm2      0.819
 ASSI (
     (segid "    " and resid "140 " and name "HB1 ")
 )(
     (segid "    " and resid "142 " and name "HG  ")
 )
      5.000     5.000     0.000 peak 10850 weight  0.10000E+01 volume -0.42000E+00 ppm1      4.102 ppm2      1.513
 ASSI (
     (segid "    " and resid "114 " and name "HA  ")
 )(
     (segid "    " and resid "117 " and name "HG21")
  OR 
     (segid "    " and resid "117 " and name "HG12")
  OR 
     (segid "    " and resid "113 " and name "HG23")
  OR 
     (segid "    " and resid "113 " and name "HG22")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )
      5.000     5.000     0.000 peak 10851 weight  0.10000E+01 volume -0.12360E+01 ppm1      3.968 ppm2      0.766
 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 10852 weight  0.10000E+01 volume -0.12990E+01 ppm1      4.099 ppm2      0.767
 ASSI (
     (segid "    " and resid "37  " 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 10853 weight  0.10000E+01 volume -0.73000E+00 ppm1      4.101 ppm2      1.121
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "94  " and name "HA  ")
  OR 
     (segid "    " and resid "56  " and name "HD1 ")
  OR 
     (segid "    " and resid "55  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10854 weight  0.10000E+01 volume -0.57100E+00 ppm1      4.314 ppm2      4.011
 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 10855 weight  0.10000E+01 volume -0.10820E+01 ppm1      4.311 ppm2      1.319
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "94  " and name "HG22")
  OR 
     (segid "    " and resid "94  " and name "HG21")
 )
      5.000     5.000     0.000 peak 10856 weight  0.10000E+01 volume -0.53800E+00 ppm1      4.307 ppm2      0.969
 ASSI (
     (segid "    " and resid "117 " and name "HA  ")
 )(
     (segid "    " and resid "156 " and name "HB2 ")
  OR 
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
 )
      6.000     6.000     0.000 peak 10857 weight  0.10000E+01 volume -0.23200E+00 ppm1      3.514 ppm2      1.193
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "57  " and name "HB3 ")
  OR 
     (segid "    " and resid "57  " and name "HB2 ")
  OR 
     (segid "    " and resid "57  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak  9845 weight  0.10000E+01 volume -0.18700E+00 ppm1      4.315 ppm2      1.433
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "94  " and name "HB  ")
 )
      6.000     6.000     0.000 peak 10858 weight  0.10000E+01 volume -0.27500E+00 ppm1      4.311 ppm2      2.273
 ASSI (
     (segid "    " and resid "56  " and name "HA  ")
 )(
     (segid "    " and resid "91  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10859 weight  0.10000E+01 volume -0.91800E+00 ppm1      4.309 ppm2      3.761
 ASSI (
     (segid "    " and resid "130 " and name "HA  ")
 )(
     (segid "    " and resid "134 " and name "HD13")
  OR 
     (segid "    " and resid "134 " and name "HD12")
  OR 
     (segid "    " and resid "134 " and name "HD11")
 )
      6.000     6.000     0.000 peak 10860 weight  0.10000E+01 volume -0.18100E+00 ppm1      4.156 ppm2      0.919
 ASSI (
     (segid "    " and resid "78  " and name "HB2 ")
 )(
     (segid "    " and resid "72  " and name "HG2 ")
  OR 
     (segid "    " and resid "72  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10861 weight  0.10000E+01 volume -0.49000E+00 ppm1      4.288 ppm2      2.247
 ASSI (
     (segid "    " and resid "78  " and name "HB1 ")
 )(
     (segid "    " and resid "80  " and name "HG12")
  OR 
     (segid "    " and resid "80  " and name "HG11")
  OR 
     (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 10862 weight  0.10000E+01 volume -0.41000E+00 ppm1      4.456 ppm2      0.852
 ASSI (
     (segid "    " and resid "78  " and name "HB2 ")
 )(
     (segid "    " and resid "80  " and name "HG13")
  OR 
     (segid "    " and resid "80  " and name "HG12")
 )
      5.000     5.000     0.000 peak 10863 weight  0.10000E+01 volume -0.45200E+00 ppm1      4.288 ppm2      0.872
 ASSI (
     (segid "    " and resid "78  " and name "HB1 ")
 )(
     (segid "    " and resid "106 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB3 ")
  OR 
     (segid "    " and resid "104 " and name "HB2 ")
  OR 
     (segid "    " and resid "104 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10864 weight  0.10000E+01 volume -0.19300E+00 ppm1      4.475 ppm2      1.326
 ASSI (
     (segid "    " and resid "78  " and name "HB1 ")
 )(
     (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 10865 weight  0.10000E+01 volume -0.23200E+00 ppm1      4.448 ppm2      2.233
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "13  " and name "HD2 ")
  OR 
     (segid "    " and resid "13  " and name "HD1 ")
 )
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 ASSI (
     (segid "    " and resid "113 " and name "HA  ")
 )(
     (segid "    " and resid "125 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10867 weight  0.10000E+01 volume -0.27600E+00 ppm1      3.835 ppm2      3.381
 ASSI (
     (segid "    " and resid "132 " and name "HB2 ")
  OR 
     (segid "    " and resid "132 " and name "HB1 ")
 )(
     (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 10868 weight  0.10000E+01 volume -0.38000E+00 ppm1      3.514 ppm2      1.166
 ASSI (
     (segid "    " and resid "10  " and name "HA  ")
 )(
     (segid "    " and resid "14  " and name "HA  ")
  OR 
     (segid "    " and resid "13  " and name "HA  ")
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 ASSI (
     (segid "    " and resid "132 " and name "HB2 ")
  OR 
     (segid "    " and resid "132 " and name "HB1 ")
 )(
     (segid "    " and resid "129 " and name "HA  ")
 )
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 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 ")
 )
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 ASSI (
     (segid "    " and resid "124 " and name "HA  ")
 )(
     (segid "    " and resid "127 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10872 weight  0.10000E+01 volume -0.47100E+00 ppm1      3.752 ppm2      2.952
 ASSI (
     (segid "    " and resid "91  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HG2 ")
  OR 
     (segid "    " and resid "56  " and name "HG1 ")
  OR 
     (segid "    " and resid "56  " and name "HB1 ")
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 ASSI (
     (segid "    " and resid "124 " and name "HA  ")
 )(
     (segid "    " and resid "127 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10873 weight  0.10000E+01 volume -0.61800E+00 ppm1      3.755 ppm2      3.408
 ASSI (
     (segid "    " and resid "94  " 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 ")
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 ASSI (
     (segid "    " and resid "91  " and name "HA  ")
 )(
     (segid "    " and resid "56  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10874 weight  0.10000E+01 volume -0.74200E+00 ppm1      3.761 ppm2      4.306
 ASSI (
     (segid "    " and resid "144 " and name "HA  ")
 )(
     (segid "    " and resid "144 " and name "HD1 ")
 )
      6.000     6.000     0.000 peak 10875 weight  0.10000E+01 volume -0.20200E+00 ppm1      3.680 ppm2      4.296
 ASSI (
     (segid "    " and resid "144 " and name "HA  ")
 )(
     (segid "    " and resid "147 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10876 weight  0.10000E+01 volume -0.48500E+00 ppm1      3.675 ppm2      2.149
 ASSI (
     (segid "    " and resid "144 " and name "HA  ")
 )(
     (segid "    " and resid "114 " and name "HD2 ")
 )
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 ASSI (
     (segid "    " and resid "112 " and name "HA  ")
 )(
     (segid "    " and resid "115 " and name "HD22")
  OR 
     (segid "    " and resid "115 " and name "HD21")
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 ASSI (
     (segid "    " and resid "112 " and name "HA  ")
 )(
     (segid "    " and resid "112 " and name "HG1 ")
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      5.000     5.000     0.000 peak 10879 weight  0.10000E+01 volume -0.43500E+00 ppm1      4.137 ppm2      1.802
 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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 ASSI (
     (segid "    " and resid "112 " and name "HA  ")
 )(
     (segid "    " and resid "115 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10881 weight  0.10000E+01 volume -0.28700E+00 ppm1      4.141 ppm2      2.234
 ASSI (
     (segid "    " and resid "112 " and name "HA  ")
 )(
     (segid "    " and resid "81  " and name "HA  ")
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      5.000     5.000     0.000 peak 10882 weight  0.10000E+01 volume -0.91500E+00 ppm1      4.136 ppm2      3.888
 ASSI (
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  OR 
     (segid "    " and resid "58  " and name "HA  ")
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  OR 
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  OR 
     (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 10883 weight  0.10000E+01 volume -0.13600E+00 ppm1      3.419 ppm2      0.685
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "26  " and name "HG23")
  OR 
     (segid "    " and resid "26  " and name "HG21")
 )
      5.000     5.000     0.000 peak 10884 weight  0.10000E+01 volume -0.73800E+00 ppm1      3.415 ppm2      0.814
 ASSI (
     (segid "    " and resid "127 " and name "HB1 ")
  OR 
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "128 " and name "HA  ")
  OR 
     (segid "    " and resid "126 " and name "HB2 ")
  OR 
     (segid "    " and resid "126 " and name "HB1 ")
  OR 
     (segid "    " and resid "61  " and name "HA  ")
  OR 
     (segid "    " and resid "18  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10885 weight  0.10000E+01 volume -0.11000E+00 ppm1      3.420 ppm2      3.851
 ASSI (
     (segid "    " and resid "127 " and name "HB1 ")
  OR 
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "116 " and name "HB3 ")
  OR 
     (segid "    " and resid "93  " and name "HD2 ")
  OR 
     (segid "    " and resid "93  " and name "HD1 ")
  OR 
     (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 ")
  OR 
     (segid "    " and resid "27  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak 10886 weight  0.10000E+01 volume -0.25900E+00 ppm1      3.417 ppm2      1.447
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "61  " and name "HB1 ")
  OR 
     (segid "    " and resid "23  " and name "HB  ")
 )
      5.000     5.000     0.000 peak 10887 weight  0.10000E+01 volume -0.49000E+00 ppm1      3.417 ppm2      1.960
 ASSI (
     (segid "    " and resid "58  " and name "HA  ")
 )(
     (segid "    " and resid "26  " and name "HB  ")
 )
      6.000     6.000     0.000 peak 10888 weight  0.10000E+01 volume -0.24800E+00 ppm1      3.413 ppm2      2.146
 ASSI (
     (segid "    " and resid "91  " and name "HB  ")
 )(
     (segid "    " and resid "95  " and name "HD13")
  OR 
     (segid "    " and resid "95  " and name "HD12")
  OR 
     (segid "    " and resid "95  " and name "HD11")
 )
      6.000     6.000     0.000 peak 10889 weight  0.10000E+01 volume -0.10600E+00 ppm1      4.208 ppm2      0.766
 ASSI (
     (segid "    " and resid "91  " and name "HB  ")
 )(
     (segid "    " and resid "90  " and name "HB2 ")
  OR 
     (segid "    " and resid "88  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 10890 weight  0.10000E+01 volume -0.28800E+00 ppm1      4.208 ppm2      2.532
 ASSI (
     (segid "    " and resid "91  " and name "HB  ")
 )(
     (segid "    " and resid "88  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10891 weight  0.10000E+01 volume -0.25800E+00 ppm1      4.208 ppm2      3.434
 ASSI (
     (segid "    " and resid "125 " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
 )(
     (segid "    " and resid "128 " and name "HA  ")
  OR 
     (segid "    " and resid "113 " and name "HA  ")
  OR 
     (segid "    " and resid "18  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10892 weight  0.10000E+01 volume -0.41800E+00 ppm1      3.376 ppm2      3.828
 ASSI (
     (segid "    " and resid "125 " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
 )(
     (segid "    " and resid "128 " and name "HB1 ")
  OR 
     (segid "    " and resid "113 " and name "HB  ")
  OR 
     (segid "    " and resid "62  " and name "HG  ")
 )
      5.000     5.000     0.000 peak 10893 weight  0.10000E+01 volume -0.44200E+00 ppm1      3.372 ppm2      1.728
 ASSI (
     (segid "    " and resid "125 " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
 )(
     (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 "29  " and name "HD13")
  OR 
     (segid "    " and resid "29  " and name "HD12")
  OR 
     (segid "    " and resid "29  " and name "HD11")
 )
      3.300     3.300     0.000 peak 10894 weight  0.10000E+01 volume -0.32160E+01 ppm1      3.367 ppm2      0.740
 ASSI (
     (segid "    " and resid "125 " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
 )(
     (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 "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10895 weight  0.10000E+01 volume -0.11540E+01 ppm1      3.367 ppm2      1.477
 ASSI (
     (segid "    " and resid "108 " and name "HB  ")
 )(
     (segid "    " and resid "139 " and name "HB3 ")
  OR 
     (segid "    " and resid "139 " and name "HB2 ")
  OR 
     (segid "    " and resid "139 " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10034 weight  0.10000E+01 volume -0.64100E+00 ppm1      4.555 ppm2      1.396
 ASSI (
     (segid "    " and resid "46  " 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")
 )
      6.000     6.000     0.000 peak 10896 weight  0.10000E+01 volume -0.18500E+00 ppm1      4.929 ppm2      0.926
 ASSI (
     (segid "    " and resid "31  " and name "HD2 ")
 )(
     (segid "    " and resid "27  " and name "HB2 ")
  OR 
     (segid "    " and resid "27  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10897 weight  0.10000E+01 volume -0.20700E+00 ppm1      6.957 ppm2      1.886
 ASSI (
     (segid "    " and resid "31  " and name "HD2 ")
 )(
     (segid "    " and resid "27  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10898 weight  0.10000E+01 volume -0.15900E+00 ppm1      6.957 ppm2      1.713
 ASSI (
     (segid "    " and resid "31  " and name "HD2 ")
 )(
     (segid "    " and resid "27  " and name "HG2 ")
 )
      5.000     5.000     0.000 peak 10899 weight  0.10000E+01 volume -0.31700E+00 ppm1      6.958 ppm2      1.485
 ASSI (
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 10900 weight  0.10000E+01 volume -0.79100E+00 ppm1      1.326 ppm2      7.197
 ASSI (
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
 )(
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )
      5.000     5.000     0.000 peak 10901 weight  0.10000E+01 volume -0.47200E+00 ppm1      1.325 ppm2      7.313
 ASSI (
     (segid "    " and resid "83  " and name "HB3 ")
  OR 
     (segid "    " and resid "83  " and name "HB2 ")
  OR 
     (segid "    " and resid "83  " and name "HB1 ")
 )(
     (segid "    " and resid "53  " and name "HZ  ")
 )
      6.000     6.000     0.000 peak 10902 weight  0.10000E+01 volume -0.17500E+00 ppm1      1.326 ppm2      7.437
 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")
  OR 
     (segid "    " and resid "46  " and name "HG22")
  OR 
     (segid "    " and resid "46  " and name "HG21")
 )(
     (segid "    " and resid "93  " and name "HE1 ")
  OR 
     (segid "    " and resid "90  " and name "HB1 ")
  OR 
     (segid "    " and resid "49  " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 10903 weight  0.10000E+01 volume -0.31000E+00 ppm1      1.193 ppm2      2.740
 ASSI (
     (segid "    " and resid "112 " and name "HD1 ")
 )(
     (segid "    " and resid "111 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10905 weight  0.10000E+01 volume  0.70600E+00 ppm1      4.295 ppm2      5.287
 ASSI (
     (segid "    " and resid "112 " and name "HD2 ")
 )(
     (segid "    " and resid "111 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10906 weight  0.10000E+01 volume  0.26600E+00 ppm1      3.964 ppm2      5.282
 ASSI (
     (segid "    " and resid "114 " and name "HD2 ")
 )(
     (segid "    " and resid "147 " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10907 weight  0.10000E+01 volume -0.24900E+00 ppm1      6.957 ppm2      2.127
 ASSI (
     (segid "    " and resid "114 " and name "HD2 ")
 )(
     (segid "    " and resid "147 " and name "HB2 ")
 )
      5.000     5.000     0.000 peak 10908 weight  0.10000E+01 volume -0.45300E+00 ppm1      6.958 ppm2      1.567
 ASSI (
     (segid "    " and resid "114 " and name "HD2 ")
 )(
     (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 10909 weight  0.10000E+01 volume -0.10140E+01 ppm1      6.962 ppm2      1.187
 ASSI (
     (segid "    " and resid "114 " and name "HD2 ")
 )(
     (segid "    " and resid "147 " and name "HD23")
  OR 
     (segid "    " and resid "147 " and name "HD22")
  OR 
     (segid "    " and resid "147 " and name "HD21")
 )
      5.000     5.000     0.000 peak 10910 weight  0.10000E+01 volume -0.39600E+00 ppm1      6.957 ppm2      1.043
 ASSI (
     (segid "    " and resid "16  " and name "HA1 ")
 )(
     (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 10251 weight  0.10000E+01 volume  0.52500E+00 ppm1      3.979 ppm2      1.545
 ASSI (
     (segid "    " and resid "16  " and name "HA2 ")
 )(
     (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 10250 weight  0.10000E+01 volume  0.57700E+00 ppm1      3.838 ppm2      1.547
 ASSI (
     (segid "    " and resid "22  " and name "HB1 ")
 )(
     (segid "    " and resid "25  " and name "HB1 ")
 )
      6.000     6.000     0.000 peak 10946 weight  0.10000E+01 volume  0.27700E+00 ppm1      3.082 ppm2      1.963
 ASSI (
     (segid "    " and resid "22  " and name "HB2 ")
 )(
     (segid "    " and resid "25  " and name "HB1 ")
  OR 
     (segid "    " and resid "20  " and name "HB2 ")
  OR 
     (segid "    " and resid "20  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10947 weight  0.10000E+01 volume  0.44000E+00 ppm1      2.421 ppm2      1.950
 ASSI (
     (segid "    " and resid "22  " and name "HB1 ")
 )(
     (segid "    " and resid "17  " and name "HB3 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10948 weight  0.10000E+01 volume  0.38500E+00 ppm1      3.071 ppm2      1.515
 ASSI (
     (segid "    " and resid "22  " and name "HB1 ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10949 weight  0.10000E+01 volume  0.24800E+00 ppm1      3.061 ppm2      4.133
 ASSI (
     (segid "    " and resid "22  " and name "HB2 ")
 )(
     (segid "    " and resid "17  " and name "HB3 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10950 weight  0.10000E+01 volume  0.31500E+00 ppm1      2.441 ppm2      1.514
 ASSI (
     (segid "    " and resid "22  " and name "HB2 ")
 )(
     (segid "    " and resid "17  " and name "HA  ")
 )
      6.000     6.000     0.000 peak 10951 weight  0.10000E+01 volume  0.19600E+00 ppm1      2.436 ppm2      4.144
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "58  " and name "HG11")
  OR 
     (segid "    " and resid "26  " and name "HG13")
  OR 
     (segid "    " and resid "26  " and name "HG12")
  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 "HG11")
 )
      2.700     2.700     0.000 peak 10956 weight  0.10000E+01 volume -0.44560E+01 ppm1      3.381 ppm2      0.926
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (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 "27  " and name "HG2 ")
 )
      6.000     6.000     0.000 peak 10957 weight  0.10000E+01 volume -0.18800E+00 ppm1      3.372 ppm2      1.468
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (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 10959 weight  0.10000E+01 volume -0.90900E+00 ppm1      3.372 ppm2      0.809
 ASSI (
     (segid "    " and resid "23  " and name "HA  ")
 )(
     (segid "    " and resid "26  " and name "HB  ")
 )
      5.000     5.000     0.000 peak 10960 weight  0.10000E+01 volume -0.14400E+01 ppm1      3.381 ppm2      2.172
 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 "56  " and name "HD1 ")
  OR 
     (segid "    " and resid "55  " and name "HB1 ")
  OR 
     (segid "    " and resid "24  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10965 weight  0.10000E+01 volume -0.11460E+01 ppm1      0.919 ppm2      4.009
 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 "55  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 10966 weight  0.10000E+01 volume -0.25400E+00 ppm1      0.913 ppm2      3.673
 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 "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )
      5.000     5.000     0.000 peak 10967 weight  0.10000E+01 volume -0.86000E+00 ppm1      0.916 ppm2      3.100
 ASSI (
     (segid "    " and resid "24  " and name "HG1 ")
 )(
     (segid "    " and resid "23  " and name "HG21")
  OR 
     (segid "    " and resid "23  " and name "HG13")
  OR 
     (segid "    " and resid "23  " and name "HG11")
 )
      5.000     5.000     0.000 peak 10968 weight  0.10000E+01 volume  0.10450E+01 ppm1      2.504 ppm2      0.917
 ASSI (
     (segid "    " and resid "24  " and name "HG2 ")
 )(
     (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 10969 weight  0.10000E+01 volume  0.96100E+00 ppm1      2.455 ppm2      0.919
 ASSI (
     (segid "    " and resid "125 " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
 )(
     (segid "    " and resid "128 " and name "HG  ")
  OR 
     (segid "    " and resid "30  " and name "HG  ")
  OR 
     (segid "    " and resid "29  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10977 weight  0.10000E+01 volume -0.65200E+00 ppm1      3.389 ppm2      1.983
 ASSI (
     (segid "    " and resid "125 " and name "HA  ")
  OR 
     (segid "    " and resid "26  " and name "HA  ")
 )(
     (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 "17  " and name "HB2 ")
  OR 
     (segid "    " and resid "17  " and name "HB1 ")
 )
      5.000     5.000     0.000 peak 10978 weight  0.10000E+01 volume -0.10670E+01 ppm1      3.392 ppm2      1.505
 ASSI (
     (segid "    " and resid "27  " and name "HB2 ")
  OR 
     (segid "    " and resid "27  " and name "HB1 ")
 )(
     (segid "    " and resid "31  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak 10985 weight  0.10000E+01 volume -0.16900E+00 ppm1      1.886 ppm2      6.957
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "61  " and name "HG1 ")
  OR 
     (segid "    " and resid "24  " and name "HG2 ")
  OR 
     (segid "    " and resid "24  " and name "HG1 ")
 )
      6.000     6.000     0.000 peak 10988 weight  0.10000E+01 volume  0.24500E+00 ppm1      3.102 ppm2      2.464
 ASSI (
     (segid "    " and resid "27  " and name "HD2 ")
  OR 
     (segid "    " and resid "27  " and name "HD1 ")
 )(
     (segid "    " and resid "28  " and name "HA  ")
  OR 
     (segid "    " and resid "24  " and name "HA  ")
 )
      5.000     5.000     0.000 peak 10989 weight  0.10000E+01 volume  0.67900E+00 ppm1      3.103 ppm2      4.014
 ASSI (
     (segid "    " and resid "27  " and name "HG1 ")
 )(
     (segid "    " and resid "31  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak 10991 weight  0.10000E+01 volume -0.11100E+00 ppm1      1.700 ppm2      6.957
 ASSI (
     (segid "    " and resid "27  " and name "HG2 ")
 )(
     (segid "    " and resid "31  " and name "HD2 ")
 )
      6.000     6.000     0.000 peak 10992 weight  0.10000E+01 volume -0.12300E+00 ppm1      1.478 ppm2      6.958
 ASSI (
     (segid "    " and resid "31  " and name "HD2 ")
 )(
     (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 ")
 )
      6.000     6.000     0.000 peak 11039 weight  0.10000E+01 volume -0.17600E+00 ppm1      6.954 ppm2      3.110
 ASSI (
     (segid "    " and resid "62  " and name "HD13")
  OR 
     (segid "    " and resid "62  " and name "HD12")
  OR 
     (segid "    " and resid "62  " and name "HD11")
 )(
     (segid "    " and resid "48  " and name "HA  ")
  OR 
     (segid "    " and resid "18  " and name "HA  ")
 )
      3.300     3.300     0.000 peak 11335 weight  0.10000E+01 volume -0.36560E+01 ppm1      0.699 ppm2      3.783
 ASSI (
     (segid "    " and resid "81  " and name "HD2 ")
 )(
     (segid "    " and resid "81  " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 11469 weight  0.10000E+01 volume -0.99000E-01 ppm1      6.527 ppm2      3.273
 ASSI (
     (segid "    " and resid "95  " and name "HD13")
  OR 
     (segid "    " and resid "95  " and name "HD12")
  OR 
     (segid "    " and resid "95  " and name "HD11")
 )(
     (segid "    " and resid "53  " and name "HD2 ")
  OR 
     (segid "    " and resid "53  " and name "HD1 ")
 )
      6.000     6.000     0.000 peak 11601 weight  0.10000E+01 volume -0.12900E+00 ppm1      0.766 ppm2      7.197
 ASSI (
     (segid "    " and resid "95  " and name "HD13")
  OR 
     (segid "    " and resid "95  " and name "HD12")
  OR 
     (segid "    " and resid "95  " and name "HD11")
 )(
     (segid "    " and resid "53  " and name "HE2 ")
  OR 
     (segid "    " and resid "53  " and name "HE1 ")
 )
      6.000     6.000     0.000 peak 11602 weight  0.10000E+01 volume -0.21200E+00 ppm1      0.766 ppm2      7.304
 ASSI (
     (segid "    " and resid "95  " and name "HD12")
  OR 
     (segid "    " and resid "95  " and name "HD11")
 )(
     (segid "    " and resid "53  " and name "HZ  ")
 )
      6.000     6.000     0.000 peak 11603 weight  0.10000E+01 volume -0.50000E-01 ppm1      0.766 ppm2      7.451
 ASSI (
     (segid "    " and resid "111 " and name "HD13")
  OR 
     (segid "    " and resid "111 " and name "HD12")
  OR 
     (segid "    " and resid "111 " and name "HD11")
 )(
     (segid "    " and resid "103 " and name "HA  ")
 )
      6.000     6.000     0.000 peak 11706 weight  0.10000E+01 volume -0.29300E+00 ppm1      1.193 ppm2      5.316
 ASSI (
     (segid "    " and resid "113 " and name "HA  ")
 )(
     (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 "HD12")
 )
      3.300     3.300     0.000 peak 11725 weight  0.10000E+01 volume -0.27790E+01 ppm1      3.835 ppm2      0.744
 ASSI (
     (segid "    " and resid "113 " and name "HB  ")
 )(
     (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")
  OR 
     (segid "    " and resid "113 " and name "HG23")
  OR 
     (segid "    " and resid "113 " and name "HG22")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )
      3.300     3.300     0.000 peak 11727 weight  0.10000E+01 volume  0.24040E+01 ppm1      1.735 ppm2      0.735
 ASSI (
     (segid "    " and resid "113 " and name "HG11")
 )(
     (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 "HG23")
  OR 
     (segid "    " and resid "113 " and name "HG22")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )
      5.000     5.000     0.000 peak 11735 weight  0.10000E+01 volume -0.17210E+01 ppm1      1.438 ppm2      0.741
 ASSI (
     (segid "    " and resid "113 " and name "HG12")
 )(
     (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")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )
      5.000     5.000     0.000 peak 11736 weight  0.10000E+01 volume -0.13780E+01 ppm1      1.329 ppm2      0.736
 ASSI (
     (segid "    " and resid "114 " and name "HE1 ")
 )(
     (segid "    " and resid "111 " and name "HG  ")
  OR 
     (segid "    " and resid "111 " and name "HB2 ")
 )
      6.000     6.000     0.000 peak 11751 weight  0.10000E+01 volume -0.17400E+00 ppm1      7.826 ppm2      1.959
 ASSI (
     (segid "    " and resid "114 " and name "HE1 ")
 )(
     (segid "    " and resid "144 " and name "HD1 ")
 )
      6.000     6.000     0.000 peak 11752 weight  0.10000E+01 volume -0.10800E+00 ppm1      7.828 ppm2      4.292
 ASSI (
     (segid "    " and resid "114 " and name "HE1 ")
 )(
     (segid "    " and resid "113 " and name "HG23")
  OR 
     (segid "    " and resid "113 " and name "HG22")
  OR 
     (segid "    " and resid "113 " and name "HG21")
 )
      6.000     6.000     0.000 peak 11753 weight  0.10000E+01 volume -0.71000E-01 ppm1      7.830 ppm2      0.736
 ASSI (
     (segid "    " and resid "119 " and name "HB1 ")
 )(
     (segid "    " and resid "121 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak 11798 weight  0.10000E+01 volume -0.12800E+00 ppm1      2.072 ppm2      7.277
 ASSI (
     (segid "    " and resid "126 " and name "HB2 ")
  OR 
     (segid "    " and resid "126 " and name "HB1 ")
 )(
     (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")
 )
      3.300     3.300     0.000 peak 11838 weight  0.10000E+01 volume -0.23170E+01 ppm1      3.880 ppm2      0.731
 ASSI (
     (segid "    " and resid "136 " and name "HD2 ")
 )(
     (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 11938 weight  0.10000E+01 volume -0.50000E-01 ppm1      6.745 ppm2      0.956
 ASSI (
     (segid "    " and resid "137 " and name "HB2 ")
 )(
     (segid "    " and resid "137 " and name "HG1 ")
 )
      5.000     5.000     0.000 peak 11954 weight  0.10000E+01 volume -0.63700E+00 ppm1      1.273 ppm2      1.683
 ASSI (
     (segid "    " and resid "147 " and name "HD13")
  OR 
     (segid "    " and resid "147 " and name "HD12")
  OR 
     (segid "    " and resid "147 " and name "HD11")
 )(
     (segid "    " and resid "114 " and name "HD2 ")
 )
      5.000     5.000     0.000 peak 12032 weight  0.10000E+01 volume -0.10960E+01 ppm1      1.186 ppm2      6.957
 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 "114 " and name "HD2 ")
 )
      6.000     6.000     0.000 peak 12036 weight  0.10000E+01 volume -0.22800E+00 ppm1      1.048 ppm2      6.961
 ASSI (
     (segid "    " and resid "150 " and name "HG1 ")
 )(
     (segid "    " and resid "150 " and name "HA  ")
 )
      5.000     5.000     0.000 peak 12052 weight  0.10000E+01 volume  0.15780E+01 ppm1      2.554 ppm2      4.048
 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")
 )
      3.300     3.300     0.000 peak 12105 weight  0.10000E+01 volume -0.36490E+01 ppm1      3.760 ppm2      0.904
 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")
  OR 
     (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 12109 weight  0.10000E+01 volume  0.29930E+01 ppm1      1.864 ppm2      0.901
{helix I}
 {PHI}
assign ( residue 13 and name C )
 ( residue 14 and name N )
 ( residue 14 and name CA)
 ( residue 14 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 14 and name C )
 ( residue 15 and name N )
 ( residue 15 and name CA)
 ( residue 15 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 15 and name C )
 ( residue 16 and name N )
 ( residue 16 and name CA)
 ( residue 16 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 16 and name C )
 ( residue 17 and name N )
 ( residue 17 and name CA)
 ( residue 17 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 17 and name C )
 ( residue 18 and name N )
 ( residue 18 and name CA)
 ( residue 18 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 18 and name C )
 ( residue 19 and name N )
 ( residue 19 and name CA)
 ( residue 19 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 19 and name C )
 ( residue 20 and name N )
 ( residue 20 and name CA)
 ( residue 20 and name C )
 1.0 -63.0 20.0 2
{PHI}
!assign ( residue 20 and name C )
! ( residue 21 and name N )
! ( residue 21 and name CA)
! ( residue 21 and name C )
! 1.0 -63.0 20.0 2

{helix II}
 {PHI}
assign ( residue 22 and name C )
 ( residue 23 and name N )
 ( residue 23 and name CA)
 ( residue 23 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 23 and name C )
 ( residue 24 and name N )
 ( residue 24 and name CA)
 ( residue 24 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 24 and name C )
 ( residue 25 and name N )
 ( residue 25 and name CA)
 ( residue 25 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 25 and name C )
 ( residue 26 and name N )
 ( residue 26 and name CA)
 ( residue 26 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 26 and name C )
 ( residue 27 and name N )
 ( residue 27 and name CA)
 ( residue 27 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 27 and name C )
 ( residue 28 and name N )
 ( residue 28 and name CA)
 ( residue 28 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 28 and name C )
 ( residue 29 and name N )
 ( residue 29 and name CA)
 ( residue 29 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 29 and name C )
 ( residue 30 and name N )
 ( residue 30 and name CA)
 ( residue 30 and name C )
 1.0 -63.0 20.0 2
 {PHI}
assign ( residue 30 and name C )
 ( residue 31 and name N )
 ( residue 31 and name CA)
 ( residue 31 and name C )
 1.0 -63.0 20.0 2

{helix III}
  {PHI}
assign ( residue 46 and name C )
 ( residue 47 and name N )
 ( residue 47 and name CA)
 ( residue 47 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 47 and name C )
 ( residue 48 and name N )
 ( residue 48 and name CA)
 ( residue 48 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 48 and name C )
 ( residue 49 and name N )
 ( residue 49 and name CA)
 ( residue 49 and name C )
 1.0 -63.0 20.0 2

{helix IV}
  {PHI}
!assign ( residue 55 and name C )
! ( residue 56 and name N )
! ( residue 56 and name CA)
! ( residue 56 and name C )
! 1.0 -63.0 0.0 2
  {PHI}
assign ( residue 56 and name C )
 ( residue 57 and name N )
 ( residue 57 and name CA)
 ( residue 57 and name C )
 1.0 -63.0 0.0 2
  {PHI}
assign ( residue 57 and name C )
 ( residue 58 and name N )
 ( residue 58 and name CA)
 ( residue 58 and name C )
 1.0 -63.0 0.0 2
  {PHI}
assign ( residue 58 and name C )
 ( residue 59 and name N )
 ( residue 59 and name CA)
 ( residue 59 and name C )
 1.0 -63.0 0.0 2
  {PHI}
assign ( residue 59 and name C )
 ( residue 60 and name N )
 ( residue 60 and name CA)
 ( residue 60 and name C )
 1.0 -63.0 0.0 2
  {PHI}
assign ( residue 60 and name C )
 ( residue 61 and name N )
 ( residue 61 and name CA)
 ( residue 61 and name C )
 1.0 -63.0 0.0 2
  {PHI}
assign ( residue 61 and name C )
 ( residue 62 and name N )
 ( residue 62 and name CA)
 ( residue 62 and name C )
 1.0 -63.0 0.0 2
  {PHI}
assign ( residue 62 and name C )
 ( residue 63 and name N )
 ( residue 63 and name CA)
 ( residue 63 and name C )
 1.0 -63.0 0.0 2
  {PHI}
assign ( residue 63 and name C )
 ( residue 64 and name N )
 ( residue 64 and name CA)
 ( residue 64 and name C )
 1.0 -63.0 0.0 2

{helix V}
  {PHI}
!assign ( residue 78 and name C )
! ( residue 79 and name N )
! ( residue 79 and name CA)
! ( residue 79 and name C )
! 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 79 and name C )
 ( residue 80 and name N )
 ( residue 80 and name CA)
 ( residue 80 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 80 and name C )
 ( residue 81 and name N )
 ( residue 81 and name CA)
 ( residue 81 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 81 and name C )
 ( residue 82 and name N )
 ( residue 82 and name CA)
 ( residue 82 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 82 and name C )
 ( residue 83 and name N )
 ( residue 83 and name CA)
 ( residue 83 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 83 and name C )
 ( residue 84 and name N )
 ( residue 84 and name CA)
 ( residue 84 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 84 and name C )
 ( residue 85 and name N )
 ( residue 85 and name CA)
 ( residue 85 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 85 and name C )
 ( residue 86 and name N )
 ( residue 86 and name CA)
 ( residue 86 and name C )
 1.0 -63.0 20.0 2

{helix VI}
  {PHI}
assign ( residue 88 and name C )
 ( residue 89 and name N )
 ( residue 89 and name CA)
 ( residue 89 and name C )
 1.0 -63.0 20.0 2
assign ( residue 89 and name C )
 ( residue 90 and name N )
 ( residue 90 and name CA)
 ( residue 90 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 90 and name C )
 ( residue 91 and name N )
 ( residue 91 and name CA)
 ( residue 91 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 91 and name C )
 ( residue 92 and name N )
 ( residue 92 and name CA)
 ( residue 92 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 92 and name C )
 ( residue 93 and name N )
 ( residue 93 and name CA)
 ( residue 93 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 93 and name C )
 ( residue 94 and name N )
 ( residue 94 and name CA)
 ( residue 94 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 94 and name C )
 ( residue 95 and name N )
 ( residue 95 and name CA)
 ( residue 95 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 95 and name C )
 ( residue 96 and name N )
 ( residue 96 and name CA)
 ( residue 96 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 96 and name C )
 ( residue 97 and name N )
 ( residue 97 and name CA)
 ( residue 97 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 97 and name C )
 ( residue 98 and name N )
 ( residue 98 and name CA)
 ( residue 98 and name C )
 1.0 -63.0 20.0 2
  {PHI}
!assign ( residue 98 and name C )
! ( residue 99 and name N )
! ( residue 99 and name CA)
! ( residue 99 and name C )
! 1.0 -63.0 20.0 2

{helix VII}
  {PHI}
!assign ( residue 111 and name C )
! ( residue 112 and name N )
! ( residue 112 and name CA)
! ( residue 112 and name C )
! 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 112 and name C )
 ( residue 113 and name N )
 ( residue 113 and name CA)
 ( residue 113 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 113 and name C )
 ( residue 114 and name N )
 ( residue 114 and name CA)
 ( residue 114 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 114 and name C )
 ( residue 115 and name N )
 ( residue 115 and name CA)
 ( residue 115 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 115 and name C )
 ( residue 116 and name N )
 ( residue 116 and name CA)
 ( residue 116 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 116 and name C )
 ( residue 117 and name N )
 ( residue 117 and name CA)
 ( residue 117 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 117 and name C )
 ( residue 118 and name N )
 ( residue 118 and name CA)
 ( residue 118 and name C )
 1.0 -63.0 20.0 2

{helix VIII}
  {PHI}
assign ( residue 122 and name C )
 ( residue 123 and name N )
 ( residue 123 and name CA)
 ( residue 123 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 123 and name C )
 ( residue 124 and name N )
 ( residue 124 and name CA)
 ( residue 124 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 124 and name C )
 ( residue 125 and name N )
 ( residue 125 and name CA)
 ( residue 125 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 125 and name C )
 ( residue 126 and name N )
 ( residue 126 and name CA)
 ( residue 126 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 126 and name C )
 ( residue 127 and name N )
 ( residue 127 and name CA)
 ( residue 127 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 127 and name C )
 ( residue 128 and name N )
 ( residue 128 and name CA)
 ( residue 128 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 128 and name C )
 ( residue 129 and name N )
 ( residue 129 and name CA)
 ( residue 129 and name C )
 1.0 -63.0 20.0 2

{helix VIII}
  {PHI}
!assign ( residue 143 and name C )
! ( residue 144 and name N )
! ( residue 144 and name CA)
! ( residue 144 and name C )
! 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 144 and name C )
 ( residue 145 and name N )
 ( residue 145 and name CA)
 ( residue 145 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 145 and name C )
 ( residue 146 and name N )
 ( residue 146 and name CA)
 ( residue 146 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 146 and name C )
 ( residue 147 and name N )
 ( residue 147 and name CA)
 ( residue 147 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 147 and name C )
 ( residue 148 and name N )
 ( residue 148 and name CA)
 ( residue 148 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 148 and name C )
 ( residue 149 and name N )
 ( residue 149 and name CA)
 ( residue 149 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 149 and name C )
 ( residue 150 and name N )
 ( residue 150 and name CA)
 ( residue 150 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 150 and name C )
 ( residue 151 and name N )
 ( residue 151 and name CA)
 ( residue 151 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 151 and name C )
 ( residue 152 and name N )
 ( residue 152 and name CA)
 ( residue 152 and name C )
 1.0 -63.0 20.0 2

{helix VIII}
  {PHI}
assign ( residue 154 and name C )
 ( residue 155 and name N )
 ( residue 155 and name CA)
 ( residue 155 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 155 and name C )
 ( residue 156 and name N )
 ( residue 156 and name CA)
 ( residue 156 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 156 and name C )
 ( residue 157 and name N )
 ( residue 157 and name CA)
 ( residue 157 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 157 and name C )
 ( residue 158 and name N )
 ( residue 158 and name CA)
 ( residue 158 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 158 and name C )
 ( residue 159 and name N )
 ( residue 159 and name CA)
 ( residue 159 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 159 and name C )
 ( residue 160 and name N )
 ( residue 160 and name CA)
 ( residue 160 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 160 and name C )
 ( residue 161 and name N )
 ( residue 161 and name CA)
 ( residue 161 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 161 and name C )
 ( residue 162 and name N )
 ( residue 162 and name CA)
 ( residue 162 and name C )
 1.0 -63.0 20.0 2
  {PHI}
assign ( residue 162 and name C )
 ( residue 163 and name N )
 ( residue 163 and name CA)
 ( residue 163 and name C )
 1.0 -63.0 20.0 2


! beta strands

  {PHI}
assign ( residue 70 and name C )
 ( residue 71 and name N )
 ( residue 71 and name CA)
 ( residue 71 and name C )
  1.0 -120.0 35.0 2

  {PHI}
assign ( residue 71 and name C )
 ( residue 72 and name N )
 ( residue 72 and name CA)
 ( residue 72 and name C )
  1.0 -120.0 35.0 2

  {PHI}
assign ( residue 72 and name C )
 ( residue 73 and name N )
 ( residue 73 and name CA)
 ( residue 73 and name C )
  1.0 -120.0 35.0 2

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    GLY   1           HT2      GLY   1 -33.886 -21.027 -21.027
    2   2H    GLY   1           HT1      GLY   1 -35.458 -21.380 -21.380
    3   3H    GLY   1           HT3      GLY   1 -34.293 -22.607 -22.607
    4   1HA   GLY   1           HA1      GLY   1 -34.420 -22.095 -22.095
    5   2HA   GLY   1           HA2      GLY   1 -34.512 -20.373 -20.373
    6    H    SER   2           HN       SER   2 -32.766 -20.789 -20.789
    7    HA   SER   2           HA       SER   2 -30.146 -21.035 -21.035
    8   1HB   SER   2           HB1      SER   2 -30.781 -22.678 -22.678
    9   2HB   SER   2           HB2      SER   2 -30.594 -21.306 -21.306
   10    HG   SER   2           HG       SER   2 -28.694 -22.827 -22.827
   11    H    MET   3           HN       MET   3 -28.577 -19.484 -19.484
   12    HA   MET   3           HA       MET   3 -27.780 -17.373 -17.373
   13   1HB   MET   3           HB1      MET   3 -29.049 -18.142 -18.142
   14   2HB   MET   3           HB2      MET   3 -28.857 -16.406 -16.406
   15   1HG   MET   3           HG1      MET   3 -26.481 -16.677 -16.677
   16   2HG   MET   3           HG2      MET   3 -26.643 -18.430 -18.430
   17   1HE   MET   3           HE3      MET   3 -25.474 -19.278 -19.278
   18   2HE   MET   3           HE2      MET   3 -26.657 -19.693 -19.693
   19   3HE   MET   3           HE1      MET   3 -25.201 -18.798 -18.798
   20    H    LEU   4           HN       LEU   4 -29.157 -16.791 -16.791
   21    HA   LEU   4           HA       LEU   4 -31.339 -14.970 -14.970
   22   1HB   LEU   4           HB1      LEU   4 -31.931 -15.235 -15.235
   23   2HB   LEU   4           HB2      LEU   4 -32.361 -16.506 -16.506
   24    HG   LEU   4           HG       LEU   4 -29.725 -16.850 -16.850
   25   1HD1  LEU   4          HD21      LEU   4 -32.204 -16.552 -16.552
   26   2HD1  LEU   4          HD23      LEU   4 -31.043 -17.805 -17.805
   27   3HD1  LEU   4          HD22      LEU   4 -30.540 -16.116 -16.116
   28   1HD2  LEU   4          HD13      LEU   4 -32.144 -18.578 -18.578
   29   2HD2  LEU   4          HD12      LEU   4 -30.614 -18.593 -18.593
   30   3HD2  LEU   4          HD11      LEU   4 -30.676 -19.145 -19.145
   31    H    LEU   5           HN       LEU   5 -28.195 -15.112 -15.112
   32    HA   LEU   5           HA       LEU   5 -28.428 -12.400 -12.400
   33   1HB   LEU   5           HB1      LEU   5 -27.198 -14.788 -14.788
   34   2HB   LEU   5           HB2      LEU   5 -26.004 -13.518 -13.518
   35    HG   LEU   5           HG       LEU   5 -26.847 -13.376 -13.376
   36   1HD1  LEU   5          HD12      LEU   5 -27.436 -11.283 -11.283
   37   2HD1  LEU   5          HD11      LEU   5 -28.426 -11.176 -11.176
   38   3HD1  LEU   5          HD13      LEU   5 -26.667 -11.181 -11.181
   39   1HD2  LEU   5          HD21      LEU   5 -29.609 -13.335 -13.335
   40   2HD2  LEU   5          HD23      LEU   5 -28.888 -14.662 -14.662
   41   3HD2  LEU   5          HD22      LEU   5 -29.228 -13.127 -13.127
   42    H    GLU   6           HN       GLU   6 -27.795 -11.032 -11.032
   43    HA   GLU   6           HA       GLU   6 -25.253 -11.597 -11.597
   44   1HB   GLU   6           HB2      GLU   6 -27.492 -11.665 -11.665
   45   2HB   GLU   6           HB1      GLU   6 -27.376  -9.912  -9.912
   46   1HG   GLU   6           HG2      GLU   6 -25.496  -9.834  -9.834
   47   2HG   GLU   6           HG1      GLU   6 -25.027 -11.489 -11.489
   48    H    GLU   7           HN       GLU   7 -23.721 -10.140 -10.140
   49    HA   GLU   7           HA       GLU   7 -24.498  -7.376  -7.376
   50   1HB   GLU   7           HB1      GLU   7 -24.043  -8.419  -8.419
   51   2HB   GLU   7           HB2      GLU   7 -22.514  -9.052  -9.052
   52   1HG   GLU   7           HG1      GLU   7 -21.450  -7.054  -7.054
   53   2HG   GLU   7           HG2      GLU   7 -22.917  -6.119  -6.119
   54    H    VAL   8           HN       VAL   8 -23.731  -8.102  -8.102
   55    HA   VAL   8           HA       VAL   8 -20.927  -7.203  -7.203
   56    HB   VAL   8           HB       VAL   8 -21.286  -9.464  -9.464
   57   1HG1  VAL   8          HG23      VAL   8 -23.314  -8.036  -8.036
   58   2HG1  VAL   8          HG22      VAL   8 -22.571  -9.548  -9.548
   59   3HG1  VAL   8          HG21      VAL   8 -23.511  -9.498  -9.498
   60   1HG2  VAL   8          HG13      VAL   8 -19.747  -7.580  -7.580
   61   2HG2  VAL   8          HG12      VAL   8 -19.915  -9.150  -9.150
   62   3HG2  VAL   8          HG11      VAL   8 -20.830  -7.764  -7.764
   63    H    CYS   9           HN       CYS   9 -24.212  -6.632  -6.632
   64    HA   CYS   9           HA       CYS   9 -24.043  -5.076  -5.076
   65   1HB   CYS   9           HB2      CYS   9 -26.164  -5.561  -5.561
   66   2HB   CYS   9           HB1      CYS   9 -25.717  -4.508  -4.508
   67    HG   CYS   9           HG       CYS   9 -25.827  -3.030  -3.030
   68    H    VAL  10           HN       VAL  10 -23.149  -4.190  -4.190
   69    HA   VAL  10           HA       VAL  10 -22.443  -1.485  -1.485
   70    HB   VAL  10           HB       VAL  10 -22.422  -2.851  -2.851
   71   1HG1  VAL  10          HG12      VAL  10 -20.518  -1.335  -1.335
   72   2HG1  VAL  10          HG11      VAL  10 -21.576  -0.034  -0.034
   73   3HG1  VAL  10          HG13      VAL  10 -21.760  -0.698  -0.698
   74   1HG2  VAL  10          HG23      VAL  10 -24.567  -1.984  -1.984
   75   2HG2  VAL  10          HG22      VAL  10 -24.292  -1.594  -1.594
   76   3HG2  VAL  10          HG21      VAL  10 -23.958  -0.391  -0.391
   77    H    GLY  11           HN       GLY  11 -20.997  -4.549  -4.549
   78   1HA   GLY  11           HA2      GLY  11 -18.409  -3.975  -3.975
   79   2HA   GLY  11           HA1      GLY  11 -18.843  -5.276  -5.276
   80    H    ASP  12           HN       ASP  12 -18.909  -4.828  -4.828
   81    HA   ASP  12           HA       ASP  12 -16.694  -3.506  -3.506
   82   1HB   ASP  12           HB2      ASP  12 -17.796  -3.647  -3.647
   83   2HB   ASP  12           HB1      ASP  12 -17.870  -5.160  -5.160
   84    H    ARG  13           HN       ARG  13 -19.863  -2.244  -2.244
   85    HA   ARG  13           HA       ARG  13 -20.159   0.013   0.013
   86   1HB   ARG  13           HB1      ARG  13 -21.616  -0.639  -0.639
   87   2HB   ARG  13           HB2      ARG  13 -20.379  -0.106  -0.106
   88   1HG   ARG  13           HG1      ARG  13 -20.971   2.034   2.034
   89   2HG   ARG  13           HG2      ARG  13 -21.122   1.939   1.939
   90   1HD   ARG  13           HD1      ARG  13 -23.278   0.523   0.523
   91   2HD   ARG  13           HD2      ARG  13 -23.161   1.527   1.527
   92    HE   ARG  13           HE       ARG  13 -23.953   3.266   3.266
   93   1HH1  ARG  13          HH11      ARG  13 -22.528   0.941   0.941
   94   2HH1  ARG  13          HH12      ARG  13 -22.974   1.807   1.807
   95   1HH2  ARG  13          HH21      ARG  13 -24.546   4.415   4.415
   96   2HH2  ARG  13          HH22      ARG  13 -24.121   3.783   3.783
   97    H    LEU  14           HN       LEU  14 -18.568   0.381   0.381
   98    HA   LEU  14           HA       LEU  14 -17.181   2.722   2.722
   99   1HB   LEU  14           HB2      LEU  14 -17.635   2.807   2.807
  100   2HB   LEU  14           HB1      LEU  14 -17.314   1.102   1.102
  101    HG   LEU  14           HG       LEU  14 -14.841   1.699   1.699
  102   1HD1  LEU  14          HD23      LEU  14 -16.075   4.289   4.289
  103   2HD1  LEU  14          HD22      LEU  14 -14.895   4.284   4.284
  104   3HD1  LEU  14          HD21      LEU  14 -14.411   3.796   3.796
  105   1HD2  LEU  14          HD11      LEU  14 -16.546   2.088   2.088
  106   2HD2  LEU  14          HD13      LEU  14 -15.059   1.160   1.160
  107   3HD2  LEU  14          HD12      LEU  14 -14.984   2.901   2.901
  108    H    SER  15           HN       SER  15 -16.464  -0.652  -0.652
  109    HA   SER  15           HA       SER  15 -13.643  -0.518  -0.518
  110   1HB   SER  15           HB1      SER  15 -14.017  -2.719  -2.719
  111   2HB   SER  15           HB2      SER  15 -15.675  -2.543  -2.543
  112    HG   SER  15           HG       SER  15 -13.734  -3.703  -3.703
  113    H    GLY  16           HN       GLY  16 -15.981  -0.740  -0.740
  114   1HA   GLY  16           HA2      GLY  16 -13.972  -0.548  -0.548
  115   2HA   GLY  16           HA1      GLY  16 -15.706  -0.400  -0.400
  116    H    ALA  17           HN       ALA  17 -15.858   1.777   1.777
  117    HA   ALA  17           HA       ALA  17 -15.468   3.956   3.956
  118   1HB   ALA  17           HB1      ALA  17 -16.647   3.552   3.552
  119   2HB   ALA  17           HB3      ALA  17 -15.953   5.151   5.151
  120   3HB   ALA  17           HB2      ALA  17 -17.199   4.540   4.540
  121    H    ALA  18           HN       ALA  18 -14.013   3.186   3.186
  122    HA   ALA  18           HA       ALA  18 -12.138   5.265   5.265
  123   1HB   ALA  18           HB3      ALA  18 -12.348   2.657   2.657
  124   2HB   ALA  18           HB2      ALA  18 -10.880   3.623   3.623
  125   3HB   ALA  18           HB1      ALA  18 -12.434   4.300   4.300
  126    H    ALA  19           HN       ALA  19 -11.988   2.008   2.008
  127    HA   ALA  19           HA       ALA  19  -9.206   2.101   2.101
  128   1HB   ALA  19           HB2      ALA  19 -11.463   0.273   0.273
  129   2HB   ALA  19           HB1      ALA  19  -9.929   0.139   0.139
  130   3HB   ALA  19           HB3      ALA  19  -9.979  -0.061  -0.061
  131    H    ARG  20           HN       ARG  20 -12.153   2.968   2.968
  132    HA   ARG  20           HA       ARG  20 -10.968   3.209   3.209
  133   1HB   ARG  20           HB2      ARG  20 -13.027   4.026   4.026
  134   2HB   ARG  20           HB1      ARG  20 -13.464   2.980   2.980
  135   1HG   ARG  20           HG1      ARG  20 -14.506   4.660   4.660
  136   2HG   ARG  20           HG2      ARG  20 -13.007   5.591   5.591
  137   1HD   ARG  20           HD2      ARG  20 -13.666   6.909   6.909
  138   2HD   ARG  20           HD1      ARG  20 -14.229   5.541   5.541
  139    HE   ARG  20           HE       ARG  20 -15.937   6.348   6.348
  140   1HH1  ARG  20          HH11      ARG  20 -15.241   6.551   6.551
  141   2HH1  ARG  20          HH12      ARG  20 -16.842   7.055   7.055
  142   1HH2  ARG  20          HH21      ARG  20 -18.047   7.010   7.010
  143   2HH2  ARG  20          HH22      ARG  20 -18.437   7.318   7.318
  144    H    GLY  21           HN       GLY  21 -10.646   5.040   5.040
  145   1HA   GLY  21           HA1      GLY  21  -9.502   6.998   6.998
  146   2HA   GLY  21           HA2      GLY  21  -9.079   7.022   7.022
  147    H    ASP  22           HN       ASP  22 -11.715   7.732   7.732
  148    HA   ASP  22           HA       ASP  22 -12.361  10.098  10.098
  149   1HB   ASP  22           HB1      ASP  22 -13.846   7.899   7.899
  150   2HB   ASP  22           HB2      ASP  22 -14.711   8.547   8.547
  151    H    VAL  23           HN       VAL  23 -11.440  11.228  11.228
  152    HA   VAL  23           HA       VAL  23 -12.055  10.952  10.952
  153    HB   VAL  23           HB       VAL  23 -10.331  12.500  12.500
  154   1HG1  VAL  23          HG11      VAL  23 -12.569  13.687  13.687
  155   2HG1  VAL  23          HG13      VAL  23 -12.089  14.803  14.803
  156   3HG1  VAL  23          HG12      VAL  23 -10.936  14.352  14.352
  157   1HG2  VAL  23          HG22      VAL  23 -11.838  12.743  12.743
  158   2HG2  VAL  23          HG21      VAL  23 -10.114  12.984  12.984
  159   3HG2  VAL  23          HG23      VAL  23 -11.243  14.318  14.318
  160    H    GLN  24           HN       GLN  24 -14.016  12.173  12.173
  161    HA   GLN  24           HA       GLN  24 -15.794  13.739  13.739
  162   1HB   GLN  24           HB1      GLN  24 -16.159  12.445  12.445
  163   2HB   GLN  24           HB2      GLN  24 -17.301  13.568  13.568
  164   1HG   GLN  24           HG2      GLN  24 -15.814  15.367  15.367
  165   2HG   GLN  24           HG1      GLN  24 -14.433  14.308  14.308
  166   1HE2  GLN  24          HE22      GLN  24 -16.830  15.488  15.488
  167   2HE2  GLN  24          HE21      GLN  24 -17.221  15.822  15.822
  168    H    GLU  25           HN       GLU  25 -15.885  10.414  10.414
  169    HA   GLU  25           HA       GLU  25 -18.425   9.820   9.820
  170   1HB   GLU  25           HB1      GLU  25 -16.268   7.914   7.914
  171   2HB   GLU  25           HB2      GLU  25 -17.956   7.513   7.513
  172   1HG   GLU  25           HG1      GLU  25 -16.704   8.952   8.952
  173   2HG   GLU  25           HG2      GLU  25 -17.984   7.739   7.739
  174    H    VAL  26           HN       VAL  26 -15.075   8.984   8.984
  175    HA   VAL  26           HA       VAL  26 -15.637   7.516   7.516
  176    HB   VAL  26           HB       VAL  26 -13.231   9.186   9.186
  177   1HG1  VAL  26          HG22      VAL  26 -13.936   8.021   8.021
  178   2HG1  VAL  26          HG21      VAL  26 -12.438   7.342   7.342
  179   3HG1  VAL  26          HG23      VAL  26 -12.595   9.086   9.086
  180   1HG2  VAL  26          HG13      VAL  26 -14.152   6.560   6.560
  181   2HG2  VAL  26          HG12      VAL  26 -12.731   7.432   7.432
  182   3HG2  VAL  26          HG11      VAL  26 -12.630   6.449   6.449
  183    H    ARG  27           HN       ARG  27 -15.561  10.952  10.952
  184    HA   ARG  27           HA       ARG  27 -15.443  11.746  11.746
  185   1HB   ARG  27           HB1      ARG  27 -15.864  13.044  13.044
  186   2HB   ARG  27           HB2      ARG  27 -16.580  13.865  13.865
  187   1HG   ARG  27           HG1      ARG  27 -13.830  13.011  13.011
  188   2HG   ARG  27           HG2      ARG  27 -14.009  14.158  14.158
  189   1HD   ARG  27           HD2      ARG  27 -15.279  15.648  15.648
  190   2HD   ARG  27           HD1      ARG  27 -14.985  14.519  14.519
  191    HE   ARG  27           HE       ARG  27 -12.509  15.163  15.163
  192   1HH1  ARG  27          HH11      ARG  27 -15.153  16.815  16.815
  193   2HH1  ARG  27          HH12      ARG  27 -14.148  18.035  18.035
  194   1HH2  ARG  27          HH21      ARG  27 -11.174  16.764  16.764
  195   2HH2  ARG  27          HH22      ARG  27 -11.884  18.006  18.006
  196    H    ARG  28           HN       ARG  28 -18.118  11.908  11.908
  197    HA   ARG  28           HA       ARG  28 -20.090  12.401  12.401
  198   1HB   ARG  28           HB1      ARG  28 -20.151  11.704  11.704
  199   2HB   ARG  28           HB2      ARG  28 -21.640  11.663  11.663
  200   1HG   ARG  28           HG2      ARG  28 -21.854  13.834  13.834
  201   2HG   ARG  28           HG1      ARG  28 -20.424  14.099  14.099
  202   1HD   ARG  28           HD1      ARG  28 -19.118  13.551  13.551
  203   2HD   ARG  28           HD2      ARG  28 -20.644  13.917  13.917
  204    HE   ARG  28           HE       ARG  28 -20.298  16.069  16.069
  205   1HH1  ARG  28          HH11      ARG  28 -18.173  14.422  14.422
  206   2HH1  ARG  28          HH12      ARG  28 -17.292  15.852  15.852
  207   1HH2  ARG  28          HH21      ARG  28 -19.144  17.959  17.959
  208   2HH2  ARG  28          HH22      ARG  28 -17.842  17.863  17.863
  209    H    LEU  29           HN       LEU  29 -18.626   9.538   9.538
  210    HA   LEU  29           HA       LEU  29 -20.601   7.635   7.635
  211   1HB   LEU  29           HB2      LEU  29 -17.689   7.663   7.663
  212   2HB   LEU  29           HB1      LEU  29 -18.290   6.373   6.373
  213    HG   LEU  29           HG       LEU  29 -19.356   6.812   6.812
  214   1HD1  LEU  29          HD12      LEU  29 -16.765   5.726   5.726
  215   2HD1  LEU  29          HD11      LEU  29 -17.697   4.673   4.673
  216   3HD1  LEU  29          HD13      LEU  29 -17.301   6.313   6.313
  217   1HD2  LEU  29          HD23      LEU  29 -19.965   5.049   5.049
  218   2HD2  LEU  29          HD22      LEU  29 -20.695   5.133   5.133
  219   3HD2  LEU  29          HD21      LEU  29 -19.287   4.106   4.106
  220    H    LEU  30           HN       LEU  30 -17.973   8.302   8.302
  221    HA   LEU  30           HA       LEU  30 -19.366   7.035   7.035
  222   1HB   LEU  30           HB1      LEU  30 -16.963   8.861   8.861
  223   2HB   LEU  30           HB2      LEU  30 -17.530   7.892   7.892
  224    HG   LEU  30           HG       LEU  30 -16.768   6.591   6.591
  225   1HD1  LEU  30          HD12      LEU  30 -14.928   8.116   8.116
  226   2HD1  LEU  30          HD11      LEU  30 -14.837   7.057   7.057
  227   3HD1  LEU  30          HD13      LEU  30 -14.512   6.414   6.414
  228   1HD2  LEU  30          HD21      LEU  30 -17.491   5.764   5.764
  229   2HD2  LEU  30          HD23      LEU  30 -17.516   4.856   4.856
  230   3HD2  LEU  30          HD22      LEU  30 -16.016   5.002   5.002
  231    H    HIS  31           HN       HIS  31 -18.823  10.395  10.395
  232    HA   HIS  31           HA       HIS  31 -19.965  11.581  11.581
  233   1HB   HIS  31           HB2      HIS  31 -19.365  12.525  12.525
  234   2HB   HIS  31           HB1      HIS  31 -20.318  13.542  13.542
  235    HD2  HIS  31           HD2      HIS  31 -16.925  13.623  13.623
  236    HE1  HIS  31           HE1      HIS  31 -16.601  14.129  14.129
  237    HE2  HIS  31           HE2      HIS  31 -15.356  14.204  14.204
  238    H    ARG  32           HN       ARG  32 -21.379  10.002  10.002
  239    HA   ARG  32           HA       ARG  32 -24.036  10.851  10.851
  240   1HB   ARG  32           HB2      ARG  32 -23.556  10.333  10.333
  241   2HB   ARG  32           HB1      ARG  32 -24.838  11.260  11.260
  242   1HG   ARG  32           HG2      ARG  32 -22.743  12.752  12.752
  243   2HG   ARG  32           HG1      ARG  32 -22.110  12.074  12.074
  244   1HD   ARG  32           HD2      ARG  32 -23.276  13.581  13.581
  245   2HD   ARG  32           HD1      ARG  32 -24.761  12.849  12.849
  246    HE   ARG  32           HE       ARG  32 -23.806  14.553  14.553
  247   1HH1  ARG  32          HH11      ARG  32 -25.013  14.760  14.760
  248   2HH1  ARG  32          HH12      ARG  32 -25.662  16.353  16.353
  249   1HH2  ARG  32          HH21      ARG  32 -24.657  16.651  16.651
  250   2HH2  ARG  32          HH22      ARG  32 -25.461  17.428  17.428
  251    H    GLU  33           HN       GLU  33 -22.692   8.613   8.613
  252    HA   GLU  33           HA       GLU  33 -24.637   6.638   6.638
  253   1HB   GLU  33           HB2      GLU  33 -22.959   6.876   6.876
  254   2HB   GLU  33           HB1      GLU  33 -21.777   6.130   6.130
  255   1HG   GLU  33           HG1      GLU  33 -23.110   4.702   4.702
  256   2HG   GLU  33           HG2      GLU  33 -22.758   4.071   4.071
  257    H    LEU  34           HN       LEU  34 -22.126   7.529   7.529
  258    HA   LEU  34           HA       LEU  34 -21.166   6.576   6.576
  259   1HB   LEU  34           HB1      LEU  34 -24.046   5.973   5.973
  260   2HB   LEU  34           HB2      LEU  34 -23.067   4.976   4.976
  261    HG   LEU  34           HG       LEU  34 -23.242   7.991   7.991
  262   1HD1  LEU  34          HD13      LEU  34 -24.975   6.170   6.170
  263   2HD1  LEU  34          HD12      LEU  34 -23.871   6.472   6.472
  264   3HD1  LEU  34          HD11      LEU  34 -24.730   7.815   7.815
  265   1HD2  LEU  34          HD21      LEU  34 -21.447   6.072   6.072
  266   2HD2  LEU  34          HD23      LEU  34 -21.041   7.581   7.581
  267   3HD2  LEU  34          HD22      LEU  34 -21.892   7.617   7.617
  268    H    VAL  35           HN       VAL  35 -20.984   5.071   5.071
  269    HA   VAL  35           HA       VAL  35 -21.270   2.372   2.372
  270    HB   VAL  35           HB       VAL  35 -20.284   3.577   3.577
  271   1HG1  VAL  35          HG12      VAL  35 -18.707   4.933   4.933
  272   2HG1  VAL  35          HG11      VAL  35 -17.682   3.501   3.501
  273   3HG1  VAL  35          HG13      VAL  35 -18.010   4.253   4.253
  274   1HG2  VAL  35          HG23      VAL  35 -19.977   1.024   1.024
  275   2HG2  VAL  35          HG22      VAL  35 -19.211   1.730   1.730
  276   3HG2  VAL  35          HG21      VAL  35 -18.278   1.490   1.490
  277    H    HIS  36           HN       HIS  36 -20.053   0.611   0.611
  278    HA   HIS  36           HA       HIS  36 -18.656   1.108   1.108
  279   1HB   HIS  36           HB1      HIS  36 -20.200  -1.006  -1.006
  280   2HB   HIS  36           HB2      HIS  36 -18.581  -1.652  -1.652
  281    HD2  HIS  36           HD2      HIS  36 -20.833   0.652   0.652
  282    HE1  HIS  36           HE1      HIS  36 -19.273  -2.596  -2.596
  283    HE2  HIS  36           HE2      HIS  36 -20.546  -0.407  -0.407
  284    HA   PRO  37           HA       PRO  37 -14.580   0.901   0.901
  285   1HB   PRO  37           HB1      PRO  37 -13.206   0.209   0.209
  286   2HB   PRO  37           HB2      PRO  37 -13.895   1.820   1.820
  287   1HG   PRO  37           HG1      PRO  37 -14.964  -0.491  -0.491
  288   2HG   PRO  37           HG2      PRO  37 -14.910   1.228   1.228
  289   1HD   PRO  37           HD2      PRO  37 -17.150   0.011   0.011
  290   2HD   PRO  37           HD1      PRO  37 -16.790   1.724   1.724
  291    H    ASP  38           HN       ASP  38 -16.021  -1.830  -1.830
  292    HA   ASP  38           HA       ASP  38 -13.932  -3.659  -3.659
  293   1HB   ASP  38           HB1      ASP  38 -15.691  -5.359  -5.359
  294   2HB   ASP  38           HB2      ASP  38 -14.772  -4.339  -4.339
  295    H    ALA  39           HN       ALA  39 -16.300  -2.164  -2.164
  296    HA   ALA  39           HA       ALA  39 -17.878  -3.922  -3.922
  297   1HB   ALA  39           HB3      ALA  39 -17.036  -1.308  -1.308
  298   2HB   ALA  39           HB2      ALA  39 -16.626  -2.153  -2.153
  299   3HB   ALA  39           HB1      ALA  39 -18.285  -2.175  -2.175
  300    H    LEU  40           HN       LEU  40 -17.586  -5.705  -5.705
  301    HA   LEU  40           HA       LEU  40 -14.966  -6.134  -6.134
  302   1HB   LEU  40           HB2      LEU  40 -16.752  -8.126  -8.126
  303   2HB   LEU  40           HB1      LEU  40 -15.400  -8.587  -8.587
  304    HG   LEU  40           HG       LEU  40 -14.561  -6.684  -6.684
  305   1HD1  LEU  40          HD13      LEU  40 -16.432  -7.621  -7.621
  306   2HD1  LEU  40          HD12      LEU  40 -15.792  -9.243  -9.243
  307   3HD1  LEU  40          HD11      LEU  40 -14.873  -8.077  -8.077
  308   1HD2  LEU  40          HD21      LEU  40 -13.103  -8.178  -8.178
  309   2HD2  LEU  40          HD23      LEU  40 -12.883  -8.367  -8.367
  310   3HD2  LEU  40          HD22      LEU  40 -13.809  -9.563  -9.563
  311    H    ASN  41           HN       ASN  41 -14.981  -6.568  -6.568
  312    HA   ASN  41           HA       ASN  41 -17.367  -6.401  -6.401
  313   1HB   ASN  41           HB2      ASN  41 -15.827  -7.152  -7.152
  314   2HB   ASN  41           HB1      ASN  41 -15.410  -5.652  -5.652
  315   1HD2  ASN  41          HD22      ASN  41 -12.500  -8.057  -8.057
  316   2HD2  ASN  41          HD21      ASN  41 -13.791  -7.624  -7.624
  317    H    ARG  42           HN       ARG  42 -17.568  -8.190  -8.190
  318    HA   ARG  42           HA       ARG  42 -18.864 -10.357 -10.357
  319   1HB   ARG  42           HB2      ARG  42 -19.233  -9.938  -9.938
  320   2HB   ARG  42           HB1      ARG  42 -17.515  -9.942  -9.942
  321   1HG   ARG  42           HG1      ARG  42 -18.600 -11.924 -11.924
  322   2HG   ARG  42           HG2      ARG  42 -17.433 -12.352 -12.352
  323   1HD   ARG  42           HD1      ARG  42 -19.020 -13.125 -13.125
  324   2HD   ARG  42           HD2      ARG  42 -20.176 -11.873 -11.873
  325    HE   ARG  42           HE       ARG  42 -19.980 -13.563 -13.563
  326   1HH1  ARG  42          HH11      ARG  42 -20.915 -13.810 -13.810
  327   2HH1  ARG  42          HH12      ARG  42 -22.041 -15.096 -15.096
  328   1HH2  ARG  42          HH21      ARG  42 -21.460 -15.255 -15.255
  329   2HH2  ARG  42          HH22      ARG  42 -22.351 -15.920 -15.920
  330    H    PHE  43           HN       PHE  43 -15.459 -10.156 -10.156
  331    HA   PHE  43           HA       PHE  43 -14.827 -12.861 -12.861
  332   1HB   PHE  43           HB1      PHE  43 -13.452 -11.251 -11.251
  333   2HB   PHE  43           HB2      PHE  43 -12.935 -10.510 -10.510
  334    HD1  PHE  43           HD1      PHE  43 -13.411 -13.970 -13.970
  335    HD2  PHE  43           HD2      PHE  43 -10.665 -11.123 -11.123
  336    HE1  PHE  43           HE1      PHE  43 -11.593 -15.624 -15.624
  337    HE2  PHE  43           HE2      PHE  43  -8.841 -12.771 -12.771
  338    HZ   PHE  43           HZ       PHE  43  -9.305 -15.025 -15.025
  339    H    GLY  44           HN       GLY  44 -13.847  -9.993  -9.993
  340   1HA   GLY  44           HA2      GLY  44 -14.680 -10.273 -10.273
  341   2HA   GLY  44           HA1      GLY  44 -13.680 -11.716 -11.716
  342    H    LYS  45           HN       LYS  45 -13.145  -8.432  -8.432
  343    HA   LYS  45           HA       LYS  45 -10.685  -8.333  -8.333
  344   1HB   LYS  45           HB1      LYS  45 -11.137  -6.842  -6.842
  345   2HB   LYS  45           HB2      LYS  45  -9.620  -7.081  -7.081
  346   1HG   LYS  45           HG1      LYS  45  -9.403  -9.263  -9.263
  347   2HG   LYS  45           HG2      LYS  45 -11.131  -9.442  -9.442
  348   1HD   LYS  45           HD1      LYS  45 -10.564  -9.150  -9.150
  349   2HD   LYS  45           HD2      LYS  45 -10.469  -7.440  -7.440
  350   1HE   LYS  45           HE1      LYS  45  -8.109  -7.583  -7.583
  351   2HE   LYS  45           HE2      LYS  45  -8.140  -9.339  -9.339
  352   1HZ   LYS  45           HZ2      LYS  45  -9.191  -7.864  -7.864
  353   2HZ   LYS  45           HZ1      LYS  45  -7.531  -7.682  -7.682
  354   3HZ   LYS  45           HZ3      LYS  45  -8.186  -9.224  -9.224
  355    H    THR  46           HN       THR  46 -10.076  -6.324  -6.324
  356    HA   THR  46           HA       THR  46 -12.341  -4.675  -4.675
  357    HB   THR  46           HB       THR  46 -10.998  -3.814  -3.814
  358    HG1  THR  46           HG1      THR  46  -8.653  -4.203  -4.203
  359   1HG2  THR  46          HG21      THR  46 -11.212  -6.492  -6.492
  360   2HG2  THR  46          HG23      THR  46  -9.460  -6.310  -6.310
  361   3HG2  THR  46          HG22      THR  46 -10.485  -5.636  -5.636
  362    H    ALA  47           HN       ALA  47 -12.156  -2.294  -2.294
  363    HA   ALA  47           HA       ALA  47 -11.800  -1.268  -1.268
  364   1HB   ALA  47           HB2      ALA  47 -12.752  -0.308  -0.308
  365   2HB   ALA  47           HB1      ALA  47 -11.365   0.731   0.731
  366   3HB   ALA  47           HB3      ALA  47 -12.664   0.590   0.590
  367    H    LEU  48           HN       LEU  48  -9.583  -1.092  -1.092
  368    HA   LEU  48           HA       LEU  48  -7.577   0.404   0.404
  369   1HB   LEU  48           HB1      LEU  48  -7.954  -0.878  -0.878
  370   2HB   LEU  48           HB2      LEU  48  -6.390  -1.363  -1.363
  371    HG   LEU  48           HG       LEU  48  -5.761   1.010   1.010
  372   1HD1  LEU  48          HD21      LEU  48  -8.446   1.507   1.507
  373   2HD1  LEU  48          HD23      LEU  48  -7.942   2.008   2.008
  374   3HD1  LEU  48          HD22      LEU  48  -7.181   2.719   2.719
  375   1HD2  LEU  48          HD12      LEU  48  -6.650   0.014   0.014
  376   2HD2  LEU  48          HD11      LEU  48  -5.028   0.023   0.023
  377   3HD2  LEU  48          HD13      LEU  48  -5.784   1.537   1.537
  378    H    GLN  49           HN       GLN  49  -8.388  -2.970  -2.970
  379    HA   GLN  49           HA       GLN  49  -5.890  -3.887  -3.887
  380   1HB   GLN  49           HB2      GLN  49  -7.773  -5.240  -5.240
  381   2HB   GLN  49           HB1      GLN  49  -8.511  -5.291  -5.291
  382   1HG   GLN  49           HG1      GLN  49  -6.913  -6.673  -6.673
  383   2HG   GLN  49           HG2      GLN  49  -5.668  -6.102  -6.102
  384   1HE2  GLN  49          HE22      GLN  49  -6.150  -8.626  -8.626
  385   2HE2  GLN  49          HE21      GLN  49  -5.233  -7.268  -7.268
  386    H    VAL  50           HN       VAL  50  -8.797  -2.557  -2.557
  387    HA   VAL  50           HA       VAL  50  -7.855  -3.156  -3.156
  388    HB   VAL  50           HB       VAL  50 -10.139  -2.165  -2.165
  389   1HG1  VAL  50          HG12      VAL  50  -9.304  -4.719  -4.719
  390   2HG1  VAL  50          HG11      VAL  50 -10.785  -4.570  -4.570
  391   3HG1  VAL  50          HG13      VAL  50 -10.817  -4.283  -4.283
  392   1HG2  VAL  50          HG21      VAL  50 -10.513  -1.129  -1.129
  393   2HG2  VAL  50          HG23      VAL  50 -11.846  -2.137  -2.137
  394   3HG2  VAL  50          HG22      VAL  50 -10.731  -2.750  -2.750
  395    H    MET  51           HN       MET  51  -8.345  -0.568  -0.568
  396    HA   MET  51           HA       MET  51  -8.603   1.706   1.706
  397   1HB   MET  51           HB1      MET  51  -7.504   1.024   1.024
  398   2HB   MET  51           HB2      MET  51  -6.285   2.018   2.018
  399   1HG   MET  51           HG2      MET  51  -8.641   3.372   3.372
  400   2HG   MET  51           HG1      MET  51  -8.830   2.766   2.766
  401   1HE   MET  51           HE3      MET  51  -6.542   2.517   2.517
  402   2HE   MET  51           HE2      MET  51  -5.084   3.269   3.269
  403   3HE   MET  51           HE1      MET  51  -5.972   4.051   4.051
  404    H    MET  52           HN       MET  52  -7.413   3.052   3.052
  405    HA   MET  52           HA       MET  52  -5.066   1.815   1.815
  406   1HB   MET  52           HB1      MET  52  -5.509   3.230   3.230
  407   2HB   MET  52           HB2      MET  52  -6.991   2.402   2.402
  408   1HG   MET  52           HG2      MET  52  -7.909   4.356   4.356
  409   2HG   MET  52           HG1      MET  52  -6.359   5.193   5.193
  410   1HE   MET  52           HE1      MET  52  -7.108   7.312   7.312
  411   2HE   MET  52           HE3      MET  52  -5.622   6.716   6.716
  412   3HE   MET  52           HE2      MET  52  -6.914   7.357   7.357
  413    H    PHE  53           HN       PHE  53  -5.159   3.408   3.408
  414    HA   PHE  53           HA       PHE  53  -4.145   5.231   5.231
  415   1HB   PHE  53           HB2      PHE  53  -2.023   3.936   3.936
  416   2HB   PHE  53           HB1      PHE  53  -1.652   5.237   5.237
  417    HD1  PHE  53           HD1      PHE  53  -3.757   2.150   2.150
  418    HD2  PHE  53           HD2      PHE  53  -0.643   4.471   4.471
  419    HE1  PHE  53           HE1      PHE  53  -3.570   0.505   0.505
  420    HE2  PHE  53           HE2      PHE  53  -0.449   2.830   2.830
  421    HZ   PHE  53           HZ       PHE  53  -1.912   0.844   0.844
  422    H    GLY  54           HN       GLY  54  -5.579   5.932   5.932
  423   1HA   GLY  54           HA2      GLY  54  -3.953   7.778   7.778
  424   2HA   GLY  54           HA1      GLY  54  -5.696   7.593   7.593
  425    H    SER  55           HN       SER  55  -7.003   8.580   8.580
  426    HA   SER  55           HA       SER  55  -6.076  11.245  11.245
  427   1HB   SER  55           HB1      SER  55  -8.630   9.906   9.906
  428   2HB   SER  55           HB2      SER  55  -8.305  11.639  11.639
  429    HG   SER  55           HG       SER  55  -7.858  11.022  11.022
  430    HA   PRO  56           HA       PRO  56  -4.119  10.250  10.250
  431   1HB   PRO  56           HB2      PRO  56  -4.487  13.175  13.175
  432   2HB   PRO  56           HB1      PRO  56  -3.025  12.196  12.196
  433   1HG   PRO  56           HG2      PRO  56  -3.395  13.787  13.787
  434   2HG   PRO  56           HG1      PRO  56  -2.643  12.191  12.191
  435   1HD   PRO  56           HD1      PRO  56  -5.422  13.069  13.069
  436   2HD   PRO  56           HD2      PRO  56  -4.358  11.939  11.939
  437    H    ALA  57           HN       ALA  57  -6.790  12.607  12.607
  438    HA   ALA  57           HA       ALA  57  -7.563  12.322  12.322
  439   1HB   ALA  57           HB1      ALA  57  -8.405  13.819  13.819
  440   2HB   ALA  57           HB3      ALA  57  -9.825  12.979  12.979
  441   3HB   ALA  57           HB2      ALA  57  -8.880  14.020  14.020
  442    H    VAL  58           HN       VAL  58  -8.272  10.428  10.428
  443    HA   VAL  58           HA       VAL  58 -10.564   9.099   9.099
  444    HB   VAL  58           HB       VAL  58  -8.501   8.551   8.551
  445   1HG1  VAL  58          HG11      VAL  58 -10.538   6.540   6.540
  446   2HG1  VAL  58          HG13      VAL  58  -9.665   6.450   6.450
  447   3HG1  VAL  58          HG12      VAL  58  -8.784   6.363   6.363
  448   1HG2  VAL  58          HG23      VAL  58 -10.465  10.042  10.042
  449   2HG2  VAL  58          HG22      VAL  58 -10.363   8.691   8.691
  450   3HG2  VAL  58          HG21      VAL  58 -11.506   8.634   8.634
  451    H    ALA  59           HN       ALA  59  -7.116   8.485   8.485
  452    HA   ALA  59           HA       ALA  59  -7.315   5.943   5.943
  453   1HB   ALA  59           HB1      ALA  59  -5.242   7.984   7.984
  454   2HB   ALA  59           HB3      ALA  59  -5.055   6.994   6.994
  455   3HB   ALA  59           HB2      ALA  59  -5.141   6.229   6.229
  456    H    LEU  60           HN       LEU  60  -7.046   9.184   9.184
  457    HA   LEU  60           HA       LEU  60  -7.168   8.360   8.360
  458   1HB   LEU  60           HB2      LEU  60  -6.365  10.556  10.556
  459   2HB   LEU  60           HB1      LEU  60  -7.912  10.977  10.977
  460    HG   LEU  60           HG       LEU  60  -8.959  10.905  10.905
  461   1HD1  LEU  60          HD21      LEU  60  -6.920   9.280   9.280
  462   2HD1  LEU  60          HD23      LEU  60  -6.401  10.807  10.807
  463   3HD1  LEU  60          HD22      LEU  60  -7.973  10.126  10.126
  464   1HD2  LEU  60          HD12      LEU  60  -6.609  12.668  12.668
  465   2HD2  LEU  60          HD11      LEU  60  -8.328  13.060  13.060
  466   3HD2  LEU  60          HD13      LEU  60  -7.463  12.785  12.785
  467    H    GLU  61           HN       GLU  61  -9.661   9.045   9.045
  468    HA   GLU  61           HA       GLU  61 -11.852   9.250   9.250
  469   1HB   GLU  61           HB1      GLU  61 -11.620   8.434   8.434
  470   2HB   GLU  61           HB2      GLU  61 -13.170   8.469   8.469
  471   1HG   GLU  61           HG2      GLU  61 -11.516  10.665  10.665
  472   2HG   GLU  61           HG1      GLU  61 -13.263  10.557  10.557
  473    H    LEU  62           HN       LEU  62 -10.549   6.456   6.456
  474    HA   LEU  62           HA       LEU  62 -12.400   4.576   4.576
  475   1HB   LEU  62           HB1      LEU  62  -9.785   4.494   4.494
  476   2HB   LEU  62           HB2      LEU  62 -10.210   3.057   3.057
  477    HG   LEU  62           HG       LEU  62 -12.085   4.250   4.250
  478   1HD1  LEU  62          HD11      LEU  62  -9.875   3.754   3.754
  479   2HD1  LEU  62          HD13      LEU  62 -10.065   2.077   2.077
  480   3HD1  LEU  62          HD12      LEU  62 -11.205   2.784   2.784
  481   1HD2  LEU  62          HD22      LEU  62 -12.984   2.644   2.644
  482   2HD2  LEU  62          HD21      LEU  62 -13.039   2.030   2.030
  483   3HD2  LEU  62          HD23      LEU  62 -11.796   1.457   1.457
  484    H    LEU  63           HN       LEU  63  -9.036   5.186   5.186
  485    HA   LEU  63           HA       LEU  63  -9.103   3.471   3.471
  486   1HB   LEU  63           HB2      LEU  63  -7.373   5.886   5.886
  487   2HB   LEU  63           HB1      LEU  63  -7.088   4.712   4.712
  488    HG   LEU  63           HG       LEU  63  -7.320   3.366   3.366
  489   1HD1  LEU  63          HD23      LEU  63  -6.017   5.924   5.924
  490   2HD1  LEU  63          HD22      LEU  63  -4.860   4.625   4.625
  491   3HD1  LEU  63          HD21      LEU  63  -6.310   4.755   4.755
  492   1HD2  LEU  63          HD12      LEU  63  -5.925   3.145   3.145
  493   2HD2  LEU  63          HD11      LEU  63  -5.781   2.094   2.094
  494   3HD2  LEU  63          HD13      LEU  63  -4.681   3.456   3.456
  495    H    LYS  64           HN       LYS  64 -10.230   6.710   6.710
  496    HA   LYS  64           HA       LYS  64 -10.250   7.599   7.599
  497   1HB   LYS  64           HB1      LYS  64 -10.572   9.229   9.229
  498   2HB   LYS  64           HB2      LYS  64 -11.899   8.333   8.333
  499   1HG   LYS  64           HG2      LYS  64 -13.368   9.435   9.435
  500   2HG   LYS  64           HG1      LYS  64 -12.543   8.951   8.951
  501   1HD   LYS  64           HD1      LYS  64 -11.099  10.840  10.840
  502   2HD   LYS  64           HD2      LYS  64 -11.626  11.245  11.245
  503   1HE   LYS  64           HE1      LYS  64 -13.174  12.575  12.575
  504   2HE   LYS  64           HE2      LYS  64 -13.947  11.160  11.160
  505   1HZ   LYS  64           HZ2      LYS  64 -11.734  12.645  12.645
  506   2HZ   LYS  64           HZ1      LYS  64 -13.369  12.961  12.961
  507   3HZ   LYS  64           HZ3      LYS  64 -12.713  11.451  11.451
  508    H    GLN  65           HN       GLN  65 -12.389   5.501   5.501
  509    HA   GLN  65           HA       GLN  65 -14.527   5.611   5.611
  510   1HB   GLN  65           HB1      GLN  65 -14.095   4.490   4.490
  511   2HB   GLN  65           HB2      GLN  65 -14.675   3.221   3.221
  512   1HG   GLN  65           HG1      GLN  65 -16.023   5.746   5.746
  513   2HG   GLN  65           HG2      GLN  65 -16.623   4.088   4.088
  514   1HE2  GLN  65          HE22      GLN  65 -17.194   6.448   6.448
  515   2HE2  GLN  65          HE21      GLN  65 -16.327   6.973   6.973
  516    H    GLY  66           HN       GLY  66 -12.672   2.752   2.752
  517   1HA   GLY  66           HA1      GLY  66 -11.437   2.019   2.019
  518   2HA   GLY  66           HA2      GLY  66 -13.096   1.491   1.491
  519    H    ALA  67           HN       ALA  67 -10.612   1.372   1.372
  520    HA   ALA  67           HA       ALA  67 -11.473  -1.381  -1.381
  521   1HB   ALA  67           HB1      ALA  67 -10.985   0.805   0.805
  522   2HB   ALA  67           HB3      ALA  67  -9.672  -0.339  -0.339
  523   3HB   ALA  67           HB2      ALA  67 -11.347  -0.860  -0.860
  524    H    SER  68           HN       SER  68  -9.883  -2.998  -2.998
  525    HA   SER  68           HA       SER  68  -7.461  -2.584  -2.584
  526   1HB   SER  68           HB2      SER  68  -9.281  -4.719  -4.719
  527   2HB   SER  68           HB1      SER  68  -7.787  -5.288  -5.288
  528    HG   SER  68           HG       SER  68  -8.099  -4.215  -4.215
  529    HA   PRO  69           HA       PRO  69  -5.507  -2.110  -2.110
  530   1HB   PRO  69           HB2      PRO  69  -3.156  -1.176  -1.176
  531   2HB   PRO  69           HB1      PRO  69  -4.553  -0.154  -0.154
  532   1HG   PRO  69           HG1      PRO  69  -3.672  -1.338  -1.338
  533   2HG   PRO  69           HG2      PRO  69  -4.296   0.288   0.288
  534   1HD   PRO  69           HD1      PRO  69  -5.841  -1.634  -1.634
  535   2HD   PRO  69           HD2      PRO  69  -6.494  -0.430  -0.430
  536    H    ASN  70           HN       ASN  70  -4.690  -3.975  -3.975
  537    HA   ASN  70           HA       ASN  70  -2.376  -5.243  -5.243
  538   1HB   ASN  70           HB1      ASN  70  -4.012  -5.743  -5.743
  539   2HB   ASN  70           HB2      ASN  70  -2.721  -6.835  -6.835
  540   1HD2  ASN  70          HD22      ASN  70  -1.829  -3.080  -3.080
  541   2HD2  ASN  70          HD21      ASN  70  -3.388  -3.434  -3.434
  542    H    VAL  71           HN       VAL  71  -3.779  -5.669  -5.669
  543    HA   VAL  71           HA       VAL  71  -4.949  -8.360  -8.360
  544    HB   VAL  71           HB       VAL  71  -6.542  -7.840  -7.840
  545   1HG1  VAL  71          HG23      VAL  71  -6.487  -6.488  -6.488
  546   2HG1  VAL  71          HG22      VAL  71  -7.526  -5.686  -5.686
  547   3HG1  VAL  71          HG21      VAL  71  -7.789  -7.384  -7.384
  548   1HG2  VAL  71          HG11      VAL  71  -4.824  -5.810  -5.810
  549   2HG2  VAL  71          HG13      VAL  71  -6.451  -6.035  -6.035
  550   3HG2  VAL  71          HG12      VAL  71  -6.181  -4.946  -4.946
  551    H    GLN  72           HN       GLN  72  -4.329  -9.864  -9.864
  552    HA   GLN  72           HA       GLN  72  -2.673  -8.992  -8.992
  553   1HB   GLN  72           HB1      GLN  72  -1.880 -11.496 -11.496
  554   2HB   GLN  72           HB2      GLN  72  -0.890 -10.329 -10.329
  555   1HG   GLN  72           HG1      GLN  72  -0.662  -8.955  -8.955
  556   2HG   GLN  72           HG2      GLN  72  -2.135  -9.552  -9.552
  557   1HE2  GLN  72          HE22      GLN  72   1.441 -11.306 -11.306
  558   2HE2  GLN  72          HE21      GLN  72   1.249 -10.023 -10.023
  559    H    ASP  73           HN       ASP  73  -2.754 -10.307 -10.307
  560    HA   ASP  73           HA       ASP  73  -4.318 -12.744 -12.744
  561   1HB   ASP  73           HB1      ASP  73  -5.725 -11.777 -11.777
  562   2HB   ASP  73           HB2      ASP  73  -6.186 -11.392 -11.392
  563    H    ALA  74           HN       ALA  74  -3.884 -14.098 -14.098
  564    HA   ALA  74           HA       ALA  74  -2.426 -15.029 -15.029
  565   1HB   ALA  74           HB3      ALA  74  -3.466 -12.558 -12.558
  566   2HB   ALA  74           HB2      ALA  74  -2.446 -13.727 -13.727
  567   3HB   ALA  74           HB1      ALA  74  -4.006 -14.227 -14.227
  568    H    SER  75           HN       SER  75  -0.393 -15.054 -15.054
  569    HA   SER  75           HA       SER  75   1.845 -14.609 -14.609
  570   1HB   SER  75           HB1      SER  75   1.399 -13.805 -13.805
  571   2HB   SER  75           HB2      SER  75   1.339 -12.176 -12.176
  572    HG   SER  75           HG       SER  75   3.500 -13.879 -13.879
  573    H    GLY  76           HN       GLY  76  -0.086 -13.513 -13.513
  574   1HA   GLY  76           HA1      GLY  76  -0.295 -11.846 -11.846
  575   2HA   GLY  76           HA2      GLY  76   1.418 -12.192 -12.192
  576    H    THR  77           HN       THR  77  -0.703 -10.356 -10.356
  577    HA   THR  77           HA       THR  77   1.281  -8.180  -8.180
  578    HB   THR  77           HB       THR  77   0.065  -7.507  -7.507
  579    HG1  THR  77           HG1      THR  77  -0.850  -9.232  -9.232
  580   1HG2  THR  77          HG21      THR  77   2.185  -9.462  -9.462
  581   2HG2  THR  77          HG23      THR  77   1.388  -9.599  -9.599
  582   3HG2  THR  77          HG22      THR  77   2.125  -8.072  -8.072
  583    H    SER  78           HN       SER  78   0.546  -6.829  -6.829
  584    HA   SER  78           HA       SER  78  -2.292  -6.221  -6.221
  585   1HB   SER  78           HB1      SER  78  -1.885  -5.483  -5.483
  586   2HB   SER  78           HB2      SER  78  -0.472  -6.517  -6.517
  587    HG   SER  78           HG       SER  78   0.252  -4.555  -4.555
  588    HA   PRO  79           HA       PRO  79  -2.511  -2.130  -2.130
  589   1HB   PRO  79           HB1      PRO  79  -2.154  -0.794  -0.794
  590   2HB   PRO  79           HB2      PRO  79  -3.451  -0.616  -0.616
  591   1HG   PRO  79           HG1      PRO  79  -3.843  -1.987  -1.987
  592   2HG   PRO  79           HG2      PRO  79  -4.549  -2.530  -2.530
  593   1HD   PRO  79           HD2      PRO  79  -2.176  -3.579  -3.579
  594   2HD   PRO  79           HD1      PRO  79  -3.412  -4.458  -4.458
  595    H    VAL  80           HN       VAL  80  -0.054  -2.204  -2.204
  596    HA   VAL  80           HA       VAL  80   1.520  -0.096  -0.096
  597    HB   VAL  80           HB       VAL  80   3.375  -1.432  -1.432
  598   1HG1  VAL  80          HG22      VAL  80   1.079   0.150   0.150
  599   2HG1  VAL  80          HG21      VAL  80   1.988  -0.721  -0.721
  600   3HG1  VAL  80          HG23      VAL  80   2.810   0.433   0.433
  601   1HG2  VAL  80          HG13      VAL  80   1.578  -3.416  -3.416
  602   2HG2  VAL  80          HG12      VAL  80   2.791  -3.230  -3.230
  603   3HG2  VAL  80          HG11      VAL  80   1.147  -2.649  -2.649
  604    H    HIS  81           HN       HIS  81   1.630  -3.580  -3.580
  605    HA   HIS  81           HA       HIS  81   4.018  -3.679  -3.679
  606   1HB   HIS  81           HB2      HIS  81   1.518  -5.364  -5.364
  607   2HB   HIS  81           HB1      HIS  81   3.022  -5.737  -5.737
  608    HD2  HIS  81           HD2      HIS  81   5.198  -6.403  -6.403
  609    HE1  HIS  81           HE1      HIS  81   2.616  -7.322  -7.322
  610    HE2  HIS  81           HE2      HIS  81   4.931  -7.667  -7.667
  611    H    ASP  82           HN       ASP  82   0.691  -3.314  -3.314
  612    HA   ASP  82           HA       ASP  82   1.430  -3.023  -3.023
  613   1HB   ASP  82           HB2      ASP  82  -0.961  -3.230  -3.230
  614   2HB   ASP  82           HB1      ASP  82  -1.040  -1.654  -1.654
  615    H    ALA  83           HN       ALA  83   0.515  -0.616  -0.616
  616    HA   ALA  83           HA       ALA  83   0.701   1.677   1.677
  617   1HB   ALA  83           HB2      ALA  83   0.004   1.341   1.341
  618   2HB   ALA  83           HB1      ALA  83   1.703   1.667   1.667
  619   3HB   ALA  83           HB3      ALA  83   0.725   2.873   2.873
  620    H    ALA  84           HN       ALA  84   3.266  -0.286  -0.286
  621    HA   ALA  84           HA       ALA  84   5.344   1.637   1.637
  622   1HB   ALA  84           HB1      ALA  84   5.437  -0.274  -0.274
  623   2HB   ALA  84           HB3      ALA  84   5.644  -1.351  -1.351
  624   3HB   ALA  84           HB2      ALA  84   6.857  -0.120  -0.120
  625    H    ARG  85           HN       ARG  85   4.890  -1.492  -1.492
  626    HA   ARG  85           HA       ARG  85   6.616  -0.899  -0.899
  627   1HB   ARG  85           HB1      ARG  85   6.152  -3.177  -3.177
  628   2HB   ARG  85           HB2      ARG  85   4.415  -2.923  -2.923
  629   1HG   ARG  85           HG1      ARG  85   4.484  -3.557  -3.557
  630   2HG   ARG  85           HG2      ARG  85   5.465  -2.136  -2.136
  631   1HD   ARG  85           HD1      ARG  85   7.402  -3.315  -3.315
  632   2HD   ARG  85           HD2      ARG  85   6.870  -4.450  -4.450
  633    HE   ARG  85           HE       ARG  85   5.323  -5.004  -5.004
  634   1HH1  ARG  85          HH11      ARG  85   8.733  -4.918  -4.918
  635   2HH1  ARG  85          HH12      ARG  85   9.134  -6.150  -6.150
  636   1HH2  ARG  85          HH21      ARG  85   5.841  -6.626  -6.626
  637   2HH2  ARG  85          HH22      ARG  85   7.490  -7.120  -7.120
  638    H    THR  86           HN       THR  86   3.217  -0.218  -0.218
  639    HA   THR  86           HA       THR  86   2.572   0.266   0.266
  640    HB   THR  86           HB       THR  86   0.627   1.526   1.526
  641    HG1  THR  86           HG1      THR  86   0.407   1.424   1.424
  642   1HG2  THR  86          HG23      THR  86   1.268  -1.248  -1.248
  643   2HG2  THR  86          HG22      THR  86  -0.015  -0.507  -0.507
  644   3HG2  THR  86          HG21      THR  86  -0.147  -0.569  -0.569
  645    H    GLY  87           HN       GLY  87   3.318   2.537   2.537
  646   1HA   GLY  87           HA1      GLY  87   4.874   4.360   4.360
  647   2HA   GLY  87           HA2      GLY  87   4.240   4.441   4.441
  648    H    PHE  88           HN       PHE  88   3.086   4.657   4.657
  649    HA   PHE  88           HA       PHE  88   1.651   7.105   7.105
  650   1HB   PHE  88           HB2      PHE  88   0.420   4.666   4.666
  651   2HB   PHE  88           HB1      PHE  88  -0.316   6.264   6.264
  652    HD1  PHE  88           HD2      PHE  88  -0.445   7.454   7.454
  653    HD2  PHE  88           HD1      PHE  88  -0.376   3.252   3.252
  654    HE1  PHE  88           HE2      PHE  88  -1.534   7.064   7.064
  655    HE2  PHE  88           HE1      PHE  88  -1.462   2.855   2.855
  656    HZ   PHE  88           HZ       PHE  88  -2.042   4.762   4.762
  657    H    LEU  89           HN       LEU  89   3.939   7.272   7.272
  658    HA   LEU  89           HA       LEU  89   4.102   6.903   6.903
  659   1HB   LEU  89           HB1      LEU  89   5.967   7.645   7.645
  660   2HB   LEU  89           HB2      LEU  89   5.206   9.213   9.213
  661    HG   LEU  89           HG       LEU  89   5.376   9.382   9.382
  662   1HD1  LEU  89          HD22      LEU  89   6.427   6.783   6.783
  663   2HD1  LEU  89          HD21      LEU  89   7.742   7.817   7.817
  664   3HD1  LEU  89          HD23      LEU  89   6.257   7.691   7.691
  665   1HD2  LEU  89          HD11      LEU  89   7.121  10.056  10.056
  666   2HD2  LEU  89          HD13      LEU  89   7.013  10.793  10.793
  667   3HD2  LEU  89          HD12      LEU  89   8.132   9.459   9.459
  668    H    ASP  90           HN       ASP  90   2.075   9.057   9.057
  669    HA   ASP  90           HA       ASP  90   1.745  11.094  11.094
  670   1HB   ASP  90           HB2      ASP  90  -0.442  10.154  10.154
  671   2HB   ASP  90           HB1      ASP  90  -0.135  11.784  11.784
  672    H    THR  91           HN       THR  91  -0.706   8.630   8.630
  673    HA   THR  91           HA       THR  91  -1.936   8.887   8.887
  674    HB   THR  91           HB       THR  91  -2.389   6.646   6.646
  675    HG1  THR  91           HG1      THR  91  -3.984   8.051   8.051
  676   1HG2  THR  91          HG21      THR  91  -3.775   7.607   7.607
  677   2HG2  THR  91          HG23      THR  91  -4.815   7.449   7.449
  678   3HG2  THR  91          HG22      THR  91  -3.892   6.061   6.061
  679    H    LEU  92           HN       LEU  92   0.548   6.915   6.915
  680    HA   LEU  92           HA       LEU  92   0.455   4.656   4.656
  681   1HB   LEU  92           HB1      LEU  92   1.940   4.875   4.875
  682   2HB   LEU  92           HB2      LEU  92   2.866   6.105   6.105
  683    HG   LEU  92           HG       LEU  92   2.614   3.396   3.396
  684   1HD1  LEU  92          HD13      LEU  92   3.614   3.793   3.793
  685   2HD1  LEU  92          HD12      LEU  92   4.999   3.537   3.537
  686   3HD1  LEU  92          HD11      LEU  92   3.704   2.341   2.341
  687   1HD2  LEU  92          HD21      LEU  92   3.903   5.739   5.739
  688   2HD2  LEU  92          HD23      LEU  92   4.228   4.140   4.140
  689   3HD2  LEU  92          HD22      LEU  92   5.185   4.743   4.743
  690    H    LYS  93           HN       LYS  93   2.477   7.551   7.551
  691    HA   LYS  93           HA       LYS  93   3.368   6.850   6.850
  692   1HB   LYS  93           HB1      LYS  93   4.283   8.972   8.972
  693   2HB   LYS  93           HB2      LYS  93   4.141   8.746   8.746
  694   1HG   LYS  93           HG2      LYS  93   1.764   9.892   9.892
  695   2HG   LYS  93           HG1      LYS  93   2.748  10.619  10.619
  696   1HD   LYS  93           HD1      LYS  93   3.440  10.601  10.601
  697   2HD   LYS  93           HD2      LYS  93   2.725  11.963  11.963
  698   1HE   LYS  93           HE1      LYS  93   4.692  11.997  11.997
  699   2HE   LYS  93           HE2      LYS  93   5.412  10.705  10.705
  700   1HZ   LYS  93           HZ3      LYS  93   4.891  12.454  12.454
  701   2HZ   LYS  93           HZ2      LYS  93   5.107  13.532  13.532
  702   3HZ   LYS  93           HZ1      LYS  93   6.345  12.458  12.458
  703    H    VAL  94           HN       VAL  94   0.451   8.584   8.584
  704    HA   VAL  94           HA       VAL  94  -0.354   9.559   9.559
  705    HB   VAL  94           HB       VAL  94  -1.550   9.239   9.239
  706   1HG1  VAL  94          HG12      VAL  94  -3.229   8.049   8.049
  707   2HG1  VAL  94          HG11      VAL  94  -3.940   8.798   8.798
  708   3HG1  VAL  94          HG13      VAL  94  -2.883   7.398   7.398
  709   1HG2  VAL  94          HG23      VAL  94  -1.394  11.138  11.138
  710   2HG2  VAL  94          HG22      VAL  94  -2.539  11.194  11.194
  711   3HG2  VAL  94          HG21      VAL  94  -3.063  10.621  10.621
  712    H    LEU  95           HN       LEU  95  -1.390   6.442   6.442
  713    HA   LEU  95           HA       LEU  95  -2.379   5.529   5.529
  714   1HB   LEU  95           HB1      LEU  95  -2.660   3.345   3.345
  715   2HB   LEU  95           HB2      LEU  95  -3.498   4.708   4.708
  716    HG   LEU  95           HG       LEU  95  -1.078   4.701   4.701
  717   1HD1  LEU  95          HD12      LEU  95  -1.244   2.203   2.203
  718   2HD1  LEU  95          HD11      LEU  95  -1.785   1.938   1.938
  719   3HD1  LEU  95          HD13      LEU  95  -0.207   2.662   2.662
  720   1HD2  LEU  95          HD23      LEU  95  -3.681   4.739   4.739
  721   2HD2  LEU  95          HD22      LEU  95  -2.391   4.505   4.505
  722   3HD2  LEU  95          HD21      LEU  95  -3.264   3.112   3.112
  723    H    VAL  96           HN       VAL  96   0.483   4.837   4.837
  724    HA   VAL  96           HA       VAL  96   1.578   2.770   2.770
  725    HB   VAL  96           HB       VAL  96   2.839   4.984   4.984
  726   1HG1  VAL  96          HG12      VAL  96   4.178   3.143   3.143
  727   2HG1  VAL  96          HG11      VAL  96   4.900   3.272   3.272
  728   3HG1  VAL  96          HG13      VAL  96   4.692   4.715   4.715
  729   1HG2  VAL  96          HG21      VAL  96   1.982   2.220   2.220
  730   2HG2  VAL  96          HG23      VAL  96   2.193   3.535   3.535
  731   3HG2  VAL  96          HG22      VAL  96   3.585   2.584   2.584
  732    H    GLU  97           HN       GLU  97   1.806   6.257   6.257
  733    HA   GLU  97           HA       GLU  97   3.531   6.052   6.052
  734   1HB   GLU  97           HB2      GLU  97   1.742   8.302   8.302
  735   2HB   GLU  97           HB1      GLU  97   3.015   8.440   8.440
  736   1HG   GLU  97           HG2      GLU  97   3.611   7.436   7.436
  737   2HG   GLU  97           HG1      GLU  97   3.476   9.167   9.167
  738    H    HIS  98           HN       HIS  98   0.044   6.367   6.367
  739    HA   HIS  98           HA       HIS  98  -0.722   6.869   6.869
  740   1HB   HIS  98           HB2      HIS  98  -2.032   6.439   6.439
  741   2HB   HIS  98           HB1      HIS  98  -2.532   5.056   5.056
  742    HD2  HIS  98           HD2      HIS  98  -2.753   6.694   6.694
  743    HE1  HIS  98           HE1      HIS  98  -5.622   8.946   8.946
  744    HE2  HIS  98           HE2      HIS  98  -4.637   8.472   8.472
  745    H    GLY  99           HN       GLY  99  -0.434   3.708   3.708
  746   1HA   GLY  99           HA1      GLY  99   0.634   2.389   2.389
  747   2HA   GLY  99           HA2      GLY  99  -1.106   2.163   2.163
  748    H    ALA 100           HN       ALA 100  -1.176   2.210   2.210
  749    HA   ALA 100           HA       ALA 100  -1.557  -0.228  -0.228
  750   1HB   ALA 100           HB3      ALA 100  -1.185   1.930   1.930
  751   2HB   ALA 100           HB2      ALA 100   0.409   1.237   1.237
  752   3HB   ALA 100           HB1      ALA 100  -1.038   0.344   0.344
  753    H    ASP 101           HN       ASP 101  -0.669  -2.166  -2.166
  754    HA   ASP 101           HA       ASP 101   1.808  -2.688  -2.688
  755   1HB   ASP 101           HB1      ASP 101  -0.201  -4.260  -4.260
  756   2HB   ASP 101           HB2      ASP 101   0.464  -4.590  -4.590
  757    H    VAL 102           HN       VAL 102   3.350  -1.380  -1.380
  758    HA   VAL 102           HA       VAL 102   4.000  -2.101  -2.101
  759    HB   VAL 102           HB       VAL 102   3.851   0.293   0.293
  760   1HG1  VAL 102          HG21      VAL 102   4.547   0.140   0.140
  761   2HG1  VAL 102          HG23      VAL 102   6.200  -0.172  -0.172
  762   3HG1  VAL 102          HG22      VAL 102   5.436   1.376   1.376
  763   1HG2  VAL 102          HG12      VAL 102   5.619  -0.845  -0.845
  764   2HG2  VAL 102          HG11      VAL 102   5.633   0.895   0.895
  765   3HG2  VAL 102          HG13      VAL 102   6.760  -0.151  -0.151
  766    H    ASN 103           HN       ASN 103   4.524  -3.868  -3.868
  767    HA   ASN 103           HA       ASN 103   7.458  -4.036  -4.036
  768   1HB   ASN 103           HB2      ASN 103   6.134  -5.342  -5.342
  769   2HB   ASN 103           HB1      ASN 103   7.689  -4.520  -4.520
  770   1HD2  ASN 103          HD22      ASN 103   6.504  -1.454  -1.454
  771   2HD2  ASN 103          HD21      ASN 103   7.829  -2.396  -2.396
  772    H    ALA 104           HN       ALA 104   4.402  -5.751  -5.751
  773    HA   ALA 104           HA       ALA 104   5.165  -8.381  -8.381
  774   1HB   ALA 104           HB1      ALA 104   2.837  -7.008  -7.008
  775   2HB   ALA 104           HB3      ALA 104   3.164  -7.898  -7.898
  776   3HB   ALA 104           HB2      ALA 104   3.030  -8.761  -8.761
  777    H    LEU 105           HN       LEU 105   4.761  -9.770  -9.770
  778    HA   LEU 105           HA       LEU 105   6.414  -8.663  -8.663
  779   1HB   LEU 105           HB1      LEU 105   6.908 -11.436 -11.436
  780   2HB   LEU 105           HB2      LEU 105   7.892 -10.505 -10.505
  781    HG   LEU 105           HG       LEU 105   7.498  -9.659  -9.659
  782   1HD1  LEU 105          HD11      LEU 105   8.606 -12.046 -12.046
  783   2HD1  LEU 105          HD13      LEU 105  10.015 -10.990 -10.990
  784   3HD1  LEU 105          HD12      LEU 105   9.078 -11.060 -11.060
  785   1HD2  LEU 105          HD22      LEU 105   9.343  -8.918  -8.918
  786   2HD2  LEU 105          HD21      LEU 105   8.376  -7.877  -7.877
  787   3HD2  LEU 105          HD23      LEU 105   9.817  -8.669  -8.669
  788    H    ASP 106           HN       ASP 106   6.509 -10.392 -10.392
  789    HA   ASP 106           HA       ASP 106   3.757 -11.278 -11.278
  790   1HB   ASP 106           HB1      ASP 106   4.403 -11.282 -11.282
  791   2HB   ASP 106           HB2      ASP 106   4.441  -9.697  -9.697
  792    H    SER 107           HN       SER 107   4.687 -13.093 -13.093
  793    HA   SER 107           HA       SER 107   5.071 -15.329 -15.329
  794   1HB   SER 107           HB2      SER 107   4.085 -15.011 -15.011
  795   2HB   SER 107           HB1      SER 107   5.445 -16.131 -16.131
  796    HG   SER 107           HG       SER 107   4.326 -17.575 -17.575
  797    H    THR 108           HN       THR 108   6.854 -14.723 -14.723
  798    HA   THR 108           HA       THR 108   9.089 -16.149 -16.149
  799    HB   THR 108           HB       THR 108  10.218 -14.786 -14.786
  800    HG1  THR 108           HG1      THR 108   8.569 -12.572 -12.572
  801   1HG2  THR 108          HG23      THR 108   7.866 -15.567 -15.567
  802   2HG2  THR 108          HG22      THR 108   7.464 -13.851 -13.851
  803   3HG2  THR 108          HG21      THR 108   8.751 -14.402 -14.402
  804    H    GLY 109           HN       GLY 109   8.585 -12.856 -12.856
  805   1HA   GLY 109           HA2      GLY 109   9.330 -12.558 -12.558
  806   2HA   GLY 109           HA1      GLY 109  10.823 -13.343 -13.343
  807    H    SER 110           HN       SER 110   9.370 -11.204 -11.204
  808    HA   SER 110           HA       SER 110  11.588  -9.342  -9.342
  809   1HB   SER 110           HB1      SER 110  10.517 -10.390 -10.390
  810   2HB   SER 110           HB2      SER 110   9.622  -8.873  -8.873
  811    HG   SER 110           HG       SER 110  11.719  -8.860  -8.860
  812    H    LEU 111           HN       LEU 111  11.336  -7.576  -7.576
  813    HA   LEU 111           HA       LEU 111   8.841  -6.720  -6.720
  814   1HB   LEU 111           HB1      LEU 111  11.484  -5.267  -5.267
  815   2HB   LEU 111           HB2      LEU 111  10.098  -4.739  -4.739
  816    HG   LEU 111           HG       LEU 111  11.087  -7.484  -7.484
  817   1HD1  LEU 111          HD13      LEU 111  12.870  -5.271  -5.271
  818   2HD1  LEU 111          HD12      LEU 111  12.565  -5.739  -5.739
  819   3HD1  LEU 111          HD11      LEU 111  13.169  -6.929  -6.929
  820   1HD2  LEU 111          HD23      LEU 111   9.187  -5.993  -5.993
  821   2HD2  LEU 111          HD22      LEU 111  10.128  -7.171  -7.171
  822   3HD2  LEU 111          HD21      LEU 111  10.556  -5.461  -5.461
  823    HA   PRO 112           HA       PRO 112   6.953  -4.314  -4.314
  824   1HB   PRO 112           HB1      PRO 112   6.765  -2.244  -2.244
  825   2HB   PRO 112           HB2      PRO 112   5.518  -2.828  -2.828
  826   1HG   PRO 112           HG2      PRO 112   5.590  -3.658  -3.658
  827   2HG   PRO 112           HG1      PRO 112   5.158  -4.768  -4.768
  828   1HD   PRO 112           HD1      PRO 112   7.663  -4.599  -4.599
  829   2HD   PRO 112           HD2      PRO 112   6.906  -6.005  -6.005
  830    H    ILE 113           HN       ILE 113   9.532  -3.020  -3.020
  831    HA   ILE 113           HA       ILE 113  10.043  -0.712  -0.712
  832    HB   ILE 113           HB       ILE 113  10.794  -0.747  -0.747
  833   1HG1  ILE 113          HG11      ILE 113  12.787  -0.514  -0.514
  834   2HG1  ILE 113          HG12      ILE 113  12.190   0.714   0.714
  835   1HG2  ILE 113          HG21      ILE 113  11.352  -3.356  -3.356
  836   2HG2  ILE 113          HG23      ILE 113  12.976  -2.676  -2.676
  837   3HG2  ILE 113          HG22      ILE 113  11.977  -2.397  -2.397
  838   1HD1  ILE 113          HD13      ILE 113  13.543  -0.568  -0.568
  839   2HD1  ILE 113          HD12      ILE 113  14.369  -1.283  -1.283
  840   3HD1  ILE 113          HD11      ILE 113  14.392   0.465   0.465
  841    H    HIS 114           HN       HIS 114  11.355  -3.991  -3.991
  842    HA   HIS 114           HA       HIS 114  13.520  -3.717  -3.717
  843   1HB   HIS 114           HB2      HIS 114  11.623  -6.021  -6.021
  844   2HB   HIS 114           HB1      HIS 114  13.031  -6.151  -6.151
  845    HD2  HIS 114           HD2      HIS 114  14.219  -4.057  -4.057
  846    HE1  HIS 114           HE1      HIS 114  14.786  -8.046  -8.046
  847    HE2  HIS 114           HE2      HIS 114  15.490  -5.632  -5.632
  848    H    LEU 115           HN       LEU 115  10.127  -4.345  -4.345
  849    HA   LEU 115           HA       LEU 115  10.467  -4.597  -4.597
  850   1HB   LEU 115           HB2      LEU 115   8.019  -3.251  -3.251
  851   2HB   LEU 115           HB1      LEU 115   8.182  -4.553  -4.553
  852    HG   LEU 115           HG       LEU 115   8.222  -4.728  -4.728
  853   1HD1  LEU 115          HD11      LEU 115   6.409  -5.528  -5.528
  854   2HD1  LEU 115          HD13      LEU 115   6.583  -6.662  -6.662
  855   3HD1  LEU 115          HD12      LEU 115   6.046  -5.011  -5.011
  856   1HD2  LEU 115          HD22      LEU 115   9.892  -6.193  -6.193
  857   2HD2  LEU 115          HD21      LEU 115   9.444  -6.584  -6.584
  858   3HD2  LEU 115          HD23      LEU 115   8.526  -7.261  -7.261
  859    H    ALA 116           HN       ALA 116   9.858  -1.730  -1.730
  860    HA   ALA 116           HA       ALA 116   9.617   0.128   0.128
  861   1HB   ALA 116           HB2      ALA 116  10.513   0.422   0.422
  862   2HB   ALA 116           HB1      ALA 116  10.359   1.795   1.795
  863   3HB   ALA 116           HB3      ALA 116   8.944   0.819   0.819
  864    H    ILE 117           HN       ILE 117  12.418  -1.229  -1.229
  865    HA   ILE 117           HA       ILE 117  14.361   0.536   0.536
  866    HB   ILE 117           HB       ILE 117  14.626  -2.338  -2.338
  867   1HG1  ILE 117          HG11      ILE 117  15.390   0.224   0.224
  868   2HG1  ILE 117          HG12      ILE 117  13.892  -0.656  -0.656
  869   1HG2  ILE 117          HG22      ILE 117  16.410  -1.551  -1.551
  870   2HG2  ILE 117          HG21      ILE 117  16.855  -0.353  -0.353
  871   3HG2  ILE 117          HG23      ILE 117  16.983  -2.072  -2.072
  872   1HD1  ILE 117          HD13      ILE 117  15.378  -2.650  -2.650
  873   2HD1  ILE 117          HD12      ILE 117  16.699  -1.482  -1.482
  874   3HD1  ILE 117          HD11      ILE 117  15.319  -1.320  -1.320
  875    H    ARG 118           HN       ARG 118  13.087  -2.564  -2.564
  876    HA   ARG 118           HA       ARG 118  14.793  -2.658  -2.658
  877   1HB   ARG 118           HB1      ARG 118  13.163  -4.457  -4.457
  878   2HB   ARG 118           HB2      ARG 118  13.995  -4.746  -4.746
  879   1HG   ARG 118           HG1      ARG 118  12.029  -4.070  -4.070
  880   2HG   ARG 118           HG2      ARG 118  11.191  -3.679  -3.679
  881   1HD   ARG 118           HD2      ARG 118  11.806  -6.181  -6.181
  882   2HD   ARG 118           HD1      ARG 118  11.852  -6.327  -6.327
  883    HE   ARG 118           HE       ARG 118   9.488  -5.068  -5.068
  884   1HH1  ARG 118          HH11      ARG 118  10.972  -8.047  -8.047
  885   2HH1  ARG 118          HH12      ARG 118   9.467  -8.878  -8.878
  886   1HH2  ARG 118          HH21      ARG 118   7.499  -6.152  -6.152
  887   2HH2  ARG 118          HH22      ARG 118   7.491  -7.801  -7.801
  888    H    GLU 119           HN       GLU 119  12.111  -0.806  -0.806
  889    HA   GLU 119           HA       GLU 119  11.083  -0.620  -0.620
  890   1HB   GLU 119           HB2      GLU 119  10.025  -0.155  -0.155
  891   2HB   GLU 119           HB1      GLU 119  10.077   1.415   1.415
  892   1HG   GLU 119           HG1      GLU 119   9.012  -0.801  -0.801
  893   2HG   GLU 119           HG2      GLU 119   8.038  -0.318  -0.318
  894    H    GLY 120           HN       GLY 120  12.352   1.726   1.726
  895   1HA   GLY 120           HA1      GLY 120  14.131   3.243   3.243
  896   2HA   GLY 120           HA2      GLY 120  13.676   3.119   3.119
  897    H    HIS 121           HN       HIS 121  11.228   3.503   3.503
  898    HA   HIS 121           HA       HIS 121  10.155   5.806   5.806
  899   1HB   HIS 121           HB2      HIS 121   9.620   4.244   4.244
  900   2HB   HIS 121           HB1      HIS 121   9.013   5.897   5.897
  901    HD2  HIS 121           HD2      HIS 121   7.607   2.635   2.635
  902    HE1  HIS 121           HE1      HIS 121   5.955   5.056   5.056
  903    HE2  HIS 121           HE2      HIS 121   5.886   2.782   2.782
  904    H    SER 122           HN       SER 122  12.815   5.447   5.447
  905    HA   SER 122           HA       SER 122  14.264   6.960   6.960
  906   1HB   SER 122           HB1      SER 122  13.729   8.326   8.326
  907   2HB   SER 122           HB2      SER 122  12.423   9.089   9.089
  908    HG   SER 122           HG       SER 122  13.883  10.054  10.054
  909    H    SER 123           HN       SER 123  11.119   8.612   8.612
  910    HA   SER 123           HA       SER 123  11.606   9.317   9.317
  911   1HB   SER 123           HB2      SER 123   8.794   9.343   9.343
  912   2HB   SER 123           HB1      SER 123   9.847  10.684  10.684
  913    HG   SER 123           HG       SER 123   9.047  10.793  10.793
  914    H    VAL 124           HN       VAL 124   9.341   7.010   7.010
  915    HA   VAL 124           HA       VAL 124   8.217   5.962   5.962
  916    HB   VAL 124           HB       VAL 124   8.774   4.713   4.713
  917   1HG1  VAL 124          HG12      VAL 124   7.709   3.420   3.420
  918   2HG1  VAL 124          HG11      VAL 124   7.032   2.972   2.972
  919   3HG1  VAL 124          HG13      VAL 124   8.756   2.763   2.763
  920   1HG2  VAL 124          HG22      VAL 124   7.041   6.527   6.527
  921   2HG2  VAL 124          HG21      VAL 124   6.469   5.030   5.030
  922   3HG2  VAL 124          HG23      VAL 124   6.140   5.360   5.360
  923    H    VAL 125           HN       VAL 125  11.014   4.640   4.640
  924    HA   VAL 125           HA       VAL 125  11.666   2.568   2.568
  925    HB   VAL 125           HB       VAL 125  13.810   4.244   4.244
  926   1HG1  VAL 125          HG13      VAL 125  14.466   2.299   2.299
  927   2HG1  VAL 125          HG12      VAL 125  13.474   1.263   1.263
  928   3HG1  VAL 125          HG11      VAL 125  14.878   2.091   2.091
  929   1HG2  VAL 125          HG23      VAL 125  11.590   2.843   2.843
  930   2HG2  VAL 125          HG22      VAL 125  12.613   4.158   4.158
  931   3HG2  VAL 125          HG21      VAL 125  13.198   2.495   2.495
  932    H    SER 126           HN       SER 126  13.222   5.784   5.784
  933    HA   SER 126           HA       SER 126  14.630   5.430   5.430
  934   1HB   SER 126           HB2      SER 126  14.552   8.008   8.008
  935   2HB   SER 126           HB1      SER 126  15.313   7.249   7.249
  936    HG   SER 126           HG       SER 126  13.853   8.913   8.913
  937    H    PHE 127           HN       PHE 127  11.331   6.336   6.336
  938    HA   PHE 127           HA       PHE 127  10.811   7.301   7.301
  939   1HB   PHE 127           HB1      PHE 127   9.385   8.050   8.050
  940   2HB   PHE 127           HB2      PHE 127   8.971   6.394   6.394
  941    HD1  PHE 127           HD2      PHE 127   7.542   5.043   5.043
  942    HD2  PHE 127           HD1      PHE 127   8.246   9.196   9.196
  943    HE1  PHE 127           HE2      PHE 127   5.596   5.129   5.129
  944    HE2  PHE 127           HE1      PHE 127   6.302   9.291   9.291
  945    HZ   PHE 127           HZ       PHE 127   4.976   7.255   7.255
  946    H    LEU 128           HN       LEU 128   9.882   4.304   4.304
  947    HA   LEU 128           HA       LEU 128   8.784   3.041   3.041
  948   1HB   LEU 128           HB2      LEU 128   9.268   2.406   2.406
  949   2HB   LEU 128           HB1      LEU 128   9.804   1.064   1.064
  950    HG   LEU 128           HG       LEU 128   7.266   1.853   1.853
  951   1HD1  LEU 128          HD21      LEU 128   7.155   2.922   2.922
  952   2HD1  LEU 128          HD23      LEU 128   7.082   1.265   1.265
  953   3HD1  LEU 128          HD22      LEU 128   5.835   1.863   1.863
  954   1HD2  LEU 128          HD11      LEU 128   8.504  -0.418  -0.418
  955   2HD2  LEU 128          HD13      LEU 128   6.744  -0.376  -0.376
  956   3HD2  LEU 128          HD12      LEU 128   7.713  -0.518  -0.518
  957    H    ALA 129           HN       ALA 129  11.988   3.743   3.743
  958    HA   ALA 129           HA       ALA 129  13.393   1.523   1.523
  959   1HB   ALA 129           HB1      ALA 129  13.985   4.389   4.389
  960   2HB   ALA 129           HB3      ALA 129  15.040   3.514   3.514
  961   3HB   ALA 129           HB2      ALA 129  14.863   2.965   2.965
  962    HA   PRO 130           HA       PRO 130  13.534   3.299   3.299
  963   1HB   PRO 130           HB1      PRO 130  12.392   5.701   5.701
  964   2HB   PRO 130           HB2      PRO 130  14.054   5.541   5.541
  965   1HG   PRO 130           HG1      PRO 130  11.565   6.199   6.199
  966   2HG   PRO 130           HG2      PRO 130  13.176   6.931   6.931
  967   1HD   PRO 130           HD2      PRO 130  12.277   5.073   5.073
  968   2HD   PRO 130           HD1      PRO 130  13.990   5.233   5.233
  969    H    GLU 131           HN       GLU 131  10.685   3.623   3.623
  970    HA   GLU 131           HA       GLU 131   8.887   3.314   3.314
  971   1HB   GLU 131           HB1      GLU 131   8.402   3.608   3.608
  972   2HB   GLU 131           HB2      GLU 131   7.114   3.351   3.351
  973   1HG   GLU 131           HG2      GLU 131   8.895   5.727   5.727
  974   2HG   GLU 131           HG1      GLU 131   7.133   5.649   5.649
  975    H    SER 132           HN       SER 132  10.785   1.190   1.190
  976    HA   SER 132           HA       SER 132   8.889  -1.001  -1.001
  977   1HB   SER 132           HB2      SER 132  10.007  -0.311  -0.311
  978   2HB   SER 132           HB1      SER 132  11.172  -1.496  -1.496
  979    HG   SER 132           HG       SER 132   9.731  -3.036  -3.036
  980    H    ASP 133           HN       ASP 133  10.600  -3.121  -3.121
  981    HA   ASP 133           HA       ASP 133  11.895  -3.042  -3.042
  982   1HB   ASP 133           HB2      ASP 133  10.659  -5.034  -5.034
  983   2HB   ASP 133           HB1      ASP 133  12.082  -5.274  -5.274
  984    H    LEU 134           HN       LEU 134  13.518  -1.443  -1.443
  985    HA   LEU 134           HA       LEU 134  15.491  -1.622  -1.622
  986   1HB   LEU 134           HB1      LEU 134  15.372  -0.246  -0.246
  987   2HB   LEU 134           HB2      LEU 134  16.774  -0.134  -0.134
  988    HG   LEU 134           HG       LEU 134  14.982   0.637   0.637
  989   1HD1  LEU 134          HD21      LEU 134  13.432   0.436   0.436
  990   2HD1  LEU 134          HD23      LEU 134  13.592   2.148   2.148
  991   3HD1  LEU 134          HD22      LEU 134  12.944   1.025   1.025
  992   1HD2  LEU 134          HD11      LEU 134  16.654   2.002   2.002
  993   2HD2  LEU 134          HD13      LEU 134  16.406   2.335   2.335
  994   3HD2  LEU 134          HD12      LEU 134  15.284   2.985   2.985
  995    H    HIS 135           HN       HIS 135  15.560  -4.120  -4.120
  996    HA   HIS 135           HA       HIS 135  18.160  -4.688  -4.688
  997   1HB   HIS 135           HB1      HIS 135  17.140  -4.306  -4.306
  998   2HB   HIS 135           HB2      HIS 135  15.956  -5.565  -5.565
  999    HD2  HIS 135           HD2      HIS 135  19.655  -6.251  -6.251
 1000    HE1  HIS 135           HE1      HIS 135  18.661  -8.502  -8.502
 1001    HE2  HIS 135           HE2      HIS 135  20.481  -7.966  -7.966
 1002    H    HIS 136           HN       HIS 136  14.905  -6.111  -6.111
 1003    HA   HIS 136           HA       HIS 136  15.634  -8.715  -8.715
 1004   1HB   HIS 136           HB1      HIS 136  13.327  -8.034  -8.034
 1005   2HB   HIS 136           HB2      HIS 136  13.229  -7.184  -7.184
 1006    HD2  HIS 136           HD2      HIS 136  12.542  -8.696  -8.696
 1007    HE1  HIS 136           HE1      HIS 136  12.619 -12.422 -12.422
 1008    HE2  HIS 136           HE2      HIS 136  12.188 -11.257 -11.257
 1009    H    ARG 137           HN       ARG 137  15.665  -9.854  -9.854
 1010    HA   ARG 137           HA       ARG 137  16.142  -8.229  -8.229
 1011   1HB   ARG 137           HB2      ARG 137  18.036 -10.321 -10.321
 1012   2HB   ARG 137           HB1      ARG 137  18.341  -8.593  -8.593
 1013   1HG   ARG 137           HG1      ARG 137  18.518  -8.649  -8.649
 1014   2HG   ARG 137           HG2      ARG 137  17.837 -10.275 -10.275
 1015   1HD   ARG 137           HD2      ARG 137  20.232 -10.068 -10.068
 1016   2HD   ARG 137           HD1      ARG 137  20.503  -9.678  -9.678
 1017    HE   ARG 137           HE       ARG 137  19.009 -12.070 -12.070
 1018   1HH1  ARG 137          HH11      ARG 137  22.228 -10.792 -10.792
 1019   2HH1  ARG 137          HH12      ARG 137  23.005 -12.304 -12.304
 1020   1HH2  ARG 137          HH21      ARG 137  20.020 -14.064 -14.064
 1021   2HH2  ARG 137          HH22      ARG 137  21.749 -14.165 -14.165
 1022    H    ASP 138           HN       ASP 138  16.073  -9.463  -9.463
 1023    HA   ASP 138           HA       ASP 138  13.927 -11.288 -11.288
 1024   1HB   ASP 138           HB2      ASP 138  14.974  -9.733  -9.733
 1025   2HB   ASP 138           HB1      ASP 138  15.891 -11.188 -11.188
 1026    H    ALA 139           HN       ALA 139  13.965 -13.499 -13.499
 1027    HA   ALA 139           HA       ALA 139  15.604 -15.184 -15.184
 1028   1HB   ALA 139           HB1      ALA 139  13.529 -15.473 -15.473
 1029   2HB   ALA 139           HB3      ALA 139  14.827 -16.612 -16.612
 1030   3HB   ALA 139           HB2      ALA 139  14.064 -16.619 -16.619
 1031    H    SER 140           HN       SER 140  16.225 -13.487 -13.487
 1032    HA   SER 140           HA       SER 140  18.220 -15.137 -15.137
 1033   1HB   SER 140           HB2      SER 140  16.991 -12.627 -12.627
 1034   2HB   SER 140           HB1      SER 140  18.740 -12.413 -12.413
 1035    HG   SER 140           HG       SER 140  17.073 -13.990 -13.990
 1036    H    GLY 141           HN       GLY 141  18.357 -12.324 -12.324
 1037   1HA   GLY 141           HA2      GLY 141  20.055 -12.578 -12.578
 1038   2HA   GLY 141           HA1      GLY 141  21.183 -12.994 -12.994
 1039    H    LEU 142           HN       LEU 142  18.749 -10.484 -10.484
 1040    HA   LEU 142           HA       LEU 142  20.867  -8.452  -8.452
 1041   1HB   LEU 142           HB1      LEU 142  18.638  -8.113  -8.113
 1042   2HB   LEU 142           HB2      LEU 142  20.241  -7.406  -7.406
 1043    HG   LEU 142           HG       LEU 142  20.537 -10.225 -10.225
 1044   1HD1  LEU 142          HD22      LEU 142  18.105  -9.966  -9.966
 1045   2HD1  LEU 142          HD21      LEU 142  18.778  -9.131  -9.131
 1046   3HD1  LEU 142          HD23      LEU 142  19.225 -10.805 -10.805
 1047   1HD2  LEU 142          HD13      LEU 142  21.096  -7.778  -7.778
 1048   2HD2  LEU 142          HD12      LEU 142  22.211  -8.967  -8.967
 1049   3HD2  LEU 142          HD11      LEU 142  21.263  -9.358  -9.358
 1050    H    THR 143           HN       THR 143  20.266  -6.447  -6.447
 1051    HA   THR 143           HA       THR 143  17.583  -6.341  -6.341
 1052    HB   THR 143           HB       THR 143  18.454  -5.572  -5.572
 1053    HG1  THR 143           HG1      THR 143  19.960  -4.027  -4.027
 1054   1HG2  THR 143          HG21      THR 143  20.787  -6.938  -6.938
 1055   2HG2  THR 143          HG23      THR 143  20.880  -6.286  -6.286
 1056   3HG2  THR 143          HG22      THR 143  19.695  -7.535  -7.535
 1057    HA   PRO 144           HA       PRO 144  16.503  -2.307  -2.307
 1058   1HB   PRO 144           HB1      PRO 144  17.734  -0.923  -0.923
 1059   2HB   PRO 144           HB2      PRO 144  16.127  -0.722  -0.722
 1060   1HG   PRO 144           HG2      PRO 144  16.451  -2.096  -2.096
 1061   2HG   PRO 144           HG1      PRO 144  15.294  -2.632  -2.632
 1062   1HD   PRO 144           HD1      PRO 144  17.971  -3.738  -3.738
 1063   2HD   PRO 144           HD2      PRO 144  16.517  -4.574  -4.574
 1064    H    LEU 145           HN       LEU 145  19.695  -2.160  -2.160
 1065    HA   LEU 145           HA       LEU 145  20.691  -0.139  -0.139
 1066   1HB   LEU 145           HB2      LEU 145  21.534  -1.415  -1.415
 1067   2HB   LEU 145           HB1      LEU 145  22.797  -1.675  -1.675
 1068    HG   LEU 145           HG       LEU 145  21.704   0.984   0.984
 1069   1HD1  LEU 145          HD11      LEU 145  24.300  -0.466  -0.466
 1070   2HD1  LEU 145          HD13      LEU 145  24.133   1.273   1.273
 1071   3HD1  LEU 145          HD12      LEU 145  23.178   0.151   0.151
 1072   1HD2  LEU 145          HD23      LEU 145  22.852   0.312   0.312
 1073   2HD2  LEU 145          HD22      LEU 145  22.463   1.913   1.913
 1074   3HD2  LEU 145          HD21      LEU 145  24.059   1.217   1.217
 1075    H    GLU 146           HN       GLU 146  21.204  -3.647  -3.647
 1076    HA   GLU 146           HA       GLU 146  23.021  -3.923  -3.923
 1077   1HB   GLU 146           HB1      GLU 146  22.193  -5.651  -5.651
 1078   2HB   GLU 146           HB2      GLU 146  20.940  -6.012  -6.012
 1079   1HG   GLU 146           HG2      GLU 146  22.588  -7.583  -7.583
 1080   2HG   GLU 146           HG1      GLU 146  22.860  -6.341  -6.341
 1081    H    LEU 147           HN       LEU 147  19.489  -4.486  -4.486
 1082    HA   LEU 147           HA       LEU 147  19.260  -4.942  -4.942
 1083   1HB   LEU 147           HB2      LEU 147  17.503  -4.825  -4.825
 1084   2HB   LEU 147           HB1      LEU 147  17.129  -3.306  -3.306
 1085    HG   LEU 147           HG       LEU 147  16.742  -4.555  -4.555
 1086   1HD1  LEU 147          HD21      LEU 147  17.858  -6.700  -6.700
 1087   2HD1  LEU 147          HD23      LEU 147  16.269  -7.138  -7.138
 1088   3HD1  LEU 147          HD22      LEU 147  17.542  -6.618  -6.618
 1089   1HD2  LEU 147          HD11      LEU 147  15.124  -4.492  -4.492
 1090   2HD2  LEU 147          HD13      LEU 147  14.635  -4.418  -4.418
 1091   3HD2  LEU 147          HD12      LEU 147  14.805  -5.980  -5.980
 1092    H    ALA 148           HN       ALA 148  19.564  -1.917  -1.917
 1093    HA   ALA 148           HA       ALA 148  18.890  -0.175  -0.175
 1094   1HB   ALA 148           HB2      ALA 148  19.396   0.201   0.201
 1095   2HB   ALA 148           HB1      ALA 148  20.943   0.715   0.715
 1096   3HB   ALA 148           HB3      ALA 148  19.452   1.502   1.502
 1097    H    ARG 149           HN       ARG 149  21.829  -1.853  -1.853
 1098    HA   ARG 149           HA       ARG 149  23.571  -0.425  -0.425
 1099   1HB   ARG 149           HB1      ARG 149  24.565  -1.629  -1.629
 1100   2HB   ARG 149           HB2      ARG 149  23.760  -3.123  -3.123
 1101   1HG   ARG 149           HG1      ARG 149  25.196  -3.502  -3.502
 1102   2HG   ARG 149           HG2      ARG 149  25.689  -1.809  -1.809
 1103   1HD   ARG 149           HD2      ARG 149  27.429  -2.226  -2.226
 1104   2HD   ARG 149           HD1      ARG 149  26.350  -2.798  -2.798
 1105    HE   ARG 149           HE       ARG 149  26.538  -4.922  -4.922
 1106   1HH1  ARG 149          HH11      ARG 149  28.876  -2.904  -2.904
 1107   2HH1  ARG 149          HH12      ARG 149  30.060  -4.161  -4.161
 1108   1HH2  ARG 149          HH21      ARG 149  28.089  -6.585  -6.585
 1109   2HH2  ARG 149          HH22      ARG 149  29.613  -6.254  -6.254
 1110    H    GLN 150           HN       GLN 150  21.402  -3.120  -3.120
 1111    HA   GLN 150           HA       GLN 150  22.408  -4.073  -4.073
 1112   1HB   GLN 150           HB1      GLN 150  21.110  -5.628  -5.628
 1113   2HB   GLN 150           HB2      GLN 150  19.847  -4.453  -4.453
 1114   1HG   GLN 150           HG1      GLN 150  18.918  -5.882  -5.882
 1115   2HG   GLN 150           HG2      GLN 150  19.398  -4.456  -4.456
 1116   1HE2  GLN 150          HE22      GLN 150  21.440  -7.970  -7.970
 1117   2HE2  GLN 150          HE21      GLN 150  20.586  -7.640  -7.640
 1118    H    ARG 151           HN       ARG 151  19.137  -2.785  -2.785
 1119    HA   ARG 151           HA       ARG 151  19.119  -1.672  -1.672
 1120   1HB   ARG 151           HB2      ARG 151  17.189  -1.907  -1.907
 1121   2HB   ARG 151           HB1      ARG 151  16.919  -0.600  -0.600
 1122   1HG   ARG 151           HG2      ARG 151  15.686  -2.233  -2.233
 1123   2HG   ARG 151           HG1      ARG 151  17.243  -2.542  -2.542
 1124   1HD   ARG 151           HD1      ARG 151  17.406  -4.013  -4.013
 1125   2HD   ARG 151           HD2      ARG 151  15.712  -4.189  -4.189
 1126    HE   ARG 151           HE       ARG 151  17.659  -4.653  -4.653
 1127   1HH1  ARG 151          HH11      ARG 151  15.594  -6.019  -6.019
 1128   2HH1  ARG 151          HH12      ARG 151  15.581  -7.599  -7.599
 1129   1HH2  ARG 151          HH21      ARG 151  17.648  -6.730  -6.730
 1130   2HH2  ARG 151          HH22      ARG 151  16.748  -8.004  -8.004
 1131    H    GLY 152           HN       GLY 152  21.097  -0.381  -0.381
 1132   1HA   GLY 152           HA1      GLY 152  20.979   1.844   1.844
 1133   2HA   GLY 152           HA2      GLY 152  22.186   1.569   1.569
 1134    H    ALA 153           HN       ALA 153  18.661   2.021   2.021
 1135    HA   ALA 153           HA       ALA 153  18.463   3.411   3.411
 1136   1HB   ALA 153           HB3      ALA 153  16.543   2.870   2.870
 1137   2HB   ALA 153           HB2      ALA 153  17.016   4.144   4.144
 1138   3HB   ALA 153           HB1      ALA 153  16.504   4.558   4.558
 1139    H    GLN 154           HN       GLN 154  19.707   4.584   4.584
 1140    HA   GLN 154           HA       GLN 154  21.319   6.579   6.579
 1141   1HB   GLN 154           HB1      GLN 154  20.192   8.621   8.621
 1142   2HB   GLN 154           HB2      GLN 154  19.116   7.693   7.693
 1143   1HG   GLN 154           HG1      GLN 154  18.938   7.877   7.877
 1144   2HG   GLN 154           HG2      GLN 154  17.921   8.734   8.734
 1145   1HE2  GLN 154          HE22      GLN 154  16.605   5.352   5.352
 1146   2HE2  GLN 154          HE21      GLN 154  17.623   6.498   6.498
 1147    H    ASN 155           HN       ASN 155  20.732   8.354   8.354
 1148    HA   ASN 155           HA       ASN 155  22.499   6.995   6.995
 1149   1HB   ASN 155           HB1      ASN 155  21.036   9.576   9.576
 1150   2HB   ASN 155           HB2      ASN 155  21.465   8.940   8.940
 1151   1HD2  ASN 155          HD22      ASN 155  24.613   9.532   9.532
 1152   2HD2  ASN 155          HD21      ASN 155  23.188   8.718   8.718
 1153    H    LEU 156           HN       LEU 156  20.748   5.093   5.093
 1154    HA   LEU 156           HA       LEU 156  18.485   5.175   5.175
 1155   1HB   LEU 156           HB1      LEU 156  19.819   3.209   3.209
 1156   2HB   LEU 156           HB2      LEU 156  19.050   2.511   2.511
 1157    HG   LEU 156           HG       LEU 156  17.793   3.954   3.954
 1158   1HD1  LEU 156          HD12      LEU 156  18.032   1.270   1.270
 1159   2HD1  LEU 156          HD11      LEU 156  16.340   1.731   1.731
 1160   3HD1  LEU 156          HD13      LEU 156  17.133   1.907   1.907
 1161   1HD2  LEU 156          HD23      LEU 156  16.858   3.874   3.874
 1162   2HD2  LEU 156          HD22      LEU 156  16.628   5.111   5.111
 1163   3HD2  LEU 156          HD21      LEU 156  15.666   3.632   3.632
 1164    H    MET 157           HN       MET 157  21.315   3.039   3.039
 1165    HA   MET 157           HA       MET 157  20.969   2.279   2.279
 1166   1HB   MET 157           HB2      MET 157  23.035   1.286   1.286
 1167   2HB   MET 157           HB1      MET 157  22.649   1.527   1.527
 1168   1HG   MET 157           HG2      MET 157  23.984   3.584   3.584
 1169   2HG   MET 157           HG1      MET 157  24.412   3.287   3.287
 1170   1HE   MET 157           HE1      MET 157  25.462   0.769   0.769
 1171   2HE   MET 157           HE3      MET 157  24.429  -0.068  -0.068
 1172   3HE   MET 157           HE2      MET 157  26.177  -0.298  -0.298
 1173    H    ASP 158           HN       ASP 158  21.982   5.305   5.305
 1174    HA   ASP 158           HA       ASP 158  23.463   6.180   6.180
 1175   1HB   ASP 158           HB2      ASP 158  23.780   7.167   7.167
 1176   2HB   ASP 158           HB1      ASP 158  22.141   7.810   7.810
 1177    H    ILE 159           HN       ILE 159  20.134   6.766   6.766
 1178    HA   ILE 159           HA       ILE 159  19.385   8.482   8.482
 1179    HB   ILE 159           HB       ILE 159  17.463   6.593   6.593
 1180   1HG1  ILE 159          HG12      ILE 159  17.770   9.165   9.165
 1181   2HG1  ILE 159          HG11      ILE 159  19.240   8.203   8.203
 1182   1HG2  ILE 159          HG22      ILE 159  17.348   9.220   9.220
 1183   2HG2  ILE 159          HG21      ILE 159  16.180   8.881   8.881
 1184   3HG2  ILE 159          HG23      ILE 159  16.276   7.828   7.828
 1185   1HD1  ILE 159          HD12      ILE 159  17.765   6.308   6.308
 1186   2HD1  ILE 159          HD11      ILE 159  16.504   7.523   7.523
 1187   3HD1  ILE 159          HD13      ILE 159  18.011   7.663   7.663
 1188    H    LEU 160           HN       LEU 160  18.887   4.977   4.977
 1189    HA   LEU 160           HA       LEU 160  17.662   4.639   4.639
 1190   1HB   LEU 160           HB2      LEU 160  19.093   2.572   2.572
 1191   2HB   LEU 160           HB1      LEU 160  17.940   2.257   2.257
 1192    HG   LEU 160           HG       LEU 160  16.324   3.674   3.674
 1193   1HD1  LEU 160          HD21      LEU 160  18.647   3.157   3.157
 1194   2HD1  LEU 160          HD23      LEU 160  17.081   2.760   2.760
 1195   3HD1  LEU 160          HD22      LEU 160  17.393   4.392   4.392
 1196   1HD2  LEU 160          HD12      LEU 160  16.349   1.163   1.163
 1197   2HD2  LEU 160          HD11      LEU 160  15.387   1.695   1.695
 1198   3HD2  LEU 160          HD13      LEU 160  16.954   0.930   0.930
 1199    H    GLN 161           HN       GLN 161  20.977   4.657   4.657
 1200    HA   GLN 161           HA       GLN 161  22.149   3.352   3.352
 1201   1HB   GLN 161           HB1      GLN 161  23.450   3.667   3.667
 1202   2HB   GLN 161           HB2      GLN 161  23.234   5.411   5.411
 1203   1HG   GLN 161           HG2      GLN 161  24.409   4.993   4.993
 1204   2HG   GLN 161           HG1      GLN 161  25.120   3.681   3.681
 1205   1HE2  GLN 161          HE22      GLN 161  26.920   7.064   7.064
 1206   2HE2  GLN 161          HE21      GLN 161  26.105   6.336   6.336
 1207    H    GLY 162           HN       GLY 162  21.416   6.764   6.764
 1208   1HA   GLY 162           HA2      GLY 162  22.587   7.707   7.707
 1209   2HA   GLY 162           HA1      GLY 162  21.485   8.601   8.601
 1210    H    HIS 163           HN       HIS 163  19.215   7.082   7.082
 1211    HA   HIS 163           HA       HIS 163  18.147   7.789   7.789
 1212   1HB   HIS 163           HB1      HIS 163  16.920   6.126   6.126
 1213   2HB   HIS 163           HB2      HIS 163  16.050   6.820   6.820
 1214    HD2  HIS 163           HD2      HIS 163  15.285   7.676   7.676
 1215    HE1  HIS 163           HE1      HIS 163  17.160  11.317  11.317
 1216    HE2  HIS 163           HE2      HIS 163  15.728  10.144  10.144
 1217    H    MET 164           HN       MET 164  19.643   4.965   4.965
 1218    HA   MET 164           HA       MET 164  18.500   2.868   2.868
 1219   1HB   MET 164           HB1      MET 164  20.763   3.156   3.156
 1220   2HB   MET 164           HB2      MET 164  21.458   2.996   2.996
 1221   1HG   MET 164           HG1      MET 164  19.429   1.002   1.002
 1222   2HG   MET 164           HG2      MET 164  20.660   0.952   0.952
 1223   1HE   MET 164           HE2      MET 164  22.186  -0.445  -0.445
 1224   2HE   MET 164           HE1      MET 164  23.358  -0.880  -0.880
 1225   3HE   MET 164           HE3      MET 164  21.827  -1.748  -1.748
 1226    H    MET 165           HN       MET 165  21.344   4.519   4.519
 1227    HA   MET 165           HA       MET 165  20.369   5.266   5.266
 1228   1HB   MET 165           HB2      MET 165  20.369   2.439   2.439
 1229   2HB   MET 165           HB1      MET 165  21.653   2.884   2.884
 1230   1HG   MET 165           HG1      MET 165  18.839   3.913   3.913
 1231   2HG   MET 165           HG2      MET 165  19.408   2.450   2.450
 1232   1HE   MET 165           HE2      MET 165  20.455   2.184   2.184
 1233   2HE   MET 165           HE1      MET 165  21.957   3.068   3.068
 1234   3HE   MET 165           HE3      MET 165  20.554   3.372   3.372
 1235    H    ILE 166           HN       ILE 166  23.044   3.015   3.015
 1236    HA   ILE 166           HA       ILE 166  25.248   3.277   3.277
 1237    HB   ILE 166           HB       ILE 166  26.055   5.448   5.448
 1238   1HG1  ILE 166          HG12      ILE 166  24.798   4.880   4.880
 1239   2HG1  ILE 166          HG11      ILE 166  23.550   4.230   4.230
 1240   1HG2  ILE 166          HG23      ILE 166  26.765   2.946   2.946
 1241   2HG2  ILE 166          HG22      ILE 166  25.722   2.760   2.760
 1242   3HG2  ILE 166          HG21      ILE 166  27.094   3.866   3.866
 1243   1HD1  ILE 166          HD11      ILE 166  24.256   6.807   6.807
 1244   2HD1  ILE 166          HD13      ILE 166  23.974   6.906   6.906
 1245   3HD1  ILE 166          HD12      ILE 166  22.723   6.257   6.257
 1246    HA   PRO 167           HA       PRO 167  24.668   6.848   6.848
 1247   1HB   PRO 167           HB2      PRO 167  25.041   5.505   5.505
 1248   2HB   PRO 167           HB1      PRO 167  23.486   5.486   5.486
 1249   1HG   PRO 167           HG1      PRO 167  25.660   3.427   3.427
 1250   2HG   PRO 167           HG2      PRO 167  23.905   3.201   3.201
 1251   1HD   PRO 167           HD2      PRO 167  25.341   2.882   2.882
 1252   2HD   PRO 167           HD1      PRO 167  23.622   3.319   3.319
 1253    H    MET 168           HN       MET 168  27.148   5.101   5.101
 1254    HA   MET 168           HA       MET 168  29.119   6.500   6.500
 1255   1HB   MET 168           HB2      MET 168  29.259   3.705   3.705
 1256   2HB   MET 168           HB1      MET 168  30.672   4.566   4.566
 1257   1HG   MET 168           HG1      MET 168  29.815   4.627   4.627
 1258   2HG   MET 168           HG2      MET 168  28.227   4.076   4.076
 1259   1HE   MET 168           HE3      MET 168  31.865   3.026   3.026
 1260   2HE   MET 168           HE2      MET 168  31.908   2.923   2.923
 1261   3HE   MET 168           HE1      MET 168  32.017   1.456   1.456

  Start of MODEL    2
    1   1H    GLY   1           HT3      GLY   1 -35.340 -18.627 -18.627
    2   2H    GLY   1           HT2      GLY   1 -36.965 -19.086 -19.086
    3   3H    GLY   1           HT1      GLY   1 -36.435 -17.673 -17.673
    4   1HA   GLY   1           HA1      GLY   1 -36.798 -16.468 -16.468
    5   2HA   GLY   1           HA2      GLY   1 -37.512 -17.898 -17.898
    6    H    SER   2           HN       SER   2 -34.294 -16.525 -16.525
    7    HA   SER   2           HA       SER   2 -33.514 -17.245 -17.245
    8   1HB   SER   2           HB1      SER   2 -32.614 -18.810 -18.810
    9   2HB   SER   2           HB2      SER   2 -31.556 -17.459 -17.459
   10    HG   SER   2           HG       SER   2 -30.803 -17.513 -17.513
   11    H    MET   3           HN       MET   3 -33.450 -15.264 -15.264
   12    HA   MET   3           HA       MET   3 -31.716 -13.262 -13.262
   13   1HB   MET   3           HB2      MET   3 -33.138 -11.506 -11.506
   14   2HB   MET   3           HB1      MET   3 -34.033 -12.529 -12.529
   15   1HG   MET   3           HG2      MET   3 -35.143 -13.642 -13.642
   16   2HG   MET   3           HG1      MET   3 -34.058 -12.962 -12.962
   17   1HE   MET   3           HE3      MET   3 -34.902 -11.879 -11.879
   18   2HE   MET   3           HE2      MET   3 -35.382 -10.189 -10.189
   19   3HE   MET   3           HE1      MET   3 -36.611 -11.443 -11.443
   20    H    LEU   4           HN       LEU   4 -30.832 -15.227 -15.227
   21    HA   LEU   4           HA       LEU   4 -30.670 -14.097 -14.097
   22   1HB   LEU   4           HB2      LEU   4 -29.285 -16.406 -16.406
   23   2HB   LEU   4           HB1      LEU   4 -28.914 -15.921 -15.921
   24    HG   LEU   4           HG       LEU   4 -31.669 -16.737 -16.737
   25   1HD1  LEU   4          HD11      LEU   4 -29.403 -18.367 -18.367
   26   2HD1  LEU   4          HD13      LEU   4 -30.462 -18.601 -18.601
   27   3HD1  LEU   4          HD12      LEU   4 -31.078 -18.867 -18.867
   28   1HD2  LEU   4          HD22      LEU   4 -30.520 -15.741 -15.741
   29   2HD2  LEU   4          HD21      LEU   4 -32.179 -15.686 -15.686
   30   3HD2  LEU   4          HD23      LEU   4 -31.559 -17.157 -17.157
   31    H    LEU   5           HN       LEU   5 -28.855 -13.837 -13.837
   32    HA   LEU   5           HA       LEU   5 -26.968 -12.699 -12.699
   33   1HB   LEU   5           HB1      LEU   5 -27.124 -11.080 -11.080
   34   2HB   LEU   5           HB2      LEU   5 -26.748 -10.572 -10.572
   35    HG   LEU   5           HG       LEU   5 -29.508 -11.371 -11.371
   36   1HD1  LEU   5          HD13      LEU   5 -28.034  -8.955  -8.955
   37   2HD1  LEU   5          HD12      LEU   5 -29.409  -8.636  -8.636
   38   3HD1  LEU   5          HD11      LEU   5 -29.663  -9.384  -9.384
   39   1HD2  LEU   5          HD22      LEU   5 -28.329 -10.811 -10.811
   40   2HD2  LEU   5          HD21      LEU   5 -29.925 -11.448 -11.448
   41   3HD2  LEU   5          HD23      LEU   5 -29.654  -9.706  -9.706
   42    H    GLU   6           HN       GLU   6 -24.854 -11.645 -11.645
   43    HA   GLU   6           HA       GLU   6 -23.924 -13.636 -13.636
   44   1HB   GLU   6           HB2      GLU   6 -21.678 -13.235 -13.235
   45   2HB   GLU   6           HB1      GLU   6 -22.714 -14.654 -14.654
   46   1HG   GLU   6           HG2      GLU   6 -23.651 -12.441 -12.441
   47   2HG   GLU   6           HG1      GLU   6 -22.077 -13.075 -13.075
   48    H    GLU   7           HN       GLU   7 -24.654 -11.257 -11.257
   49    HA   GLU   7           HA       GLU   7 -24.012  -9.271  -9.271
   50   1HB   GLU   7           HB2      GLU   7 -21.450  -9.723  -9.723
   51   2HB   GLU   7           HB1      GLU   7 -22.926 -10.161 -10.161
   52   1HG   GLU   7           HG1      GLU   7 -22.812 -12.366 -12.366
   53   2HG   GLU   7           HG2      GLU   7 -21.171 -11.900 -11.900
   54    H    VAL   8           HN       VAL   8 -23.949  -8.375  -8.375
   55    HA   VAL   8           HA       VAL   8 -21.230  -7.406  -7.406
   56    HB   VAL   8           HB       VAL   8 -23.387  -8.193  -8.193
   57   1HG1  VAL   8          HG12      VAL   8 -20.878  -6.588  -6.588
   58   2HG1  VAL   8          HG11      VAL   8 -21.701  -7.440  -7.440
   59   3HG1  VAL   8          HG13      VAL   8 -22.535  -6.159  -6.159
   60   1HG2  VAL   8          HG22      VAL   8 -20.752  -9.294  -9.294
   61   2HG2  VAL   8          HG21      VAL   8 -22.237 -10.128 -10.128
   62   3HG2  VAL   8          HG23      VAL   8 -21.208  -9.415  -9.415
   63    H    CYS   9           HN       CYS   9 -24.252  -6.548  -6.548
   64    HA   CYS   9           HA       CYS   9 -25.348  -4.570  -4.570
   65   1HB   CYS   9           HB2      CYS   9 -24.750  -4.815  -4.815
   66   2HB   CYS   9           HB1      CYS   9 -24.717  -3.121  -3.121
   67    HG   CYS   9           HG       CYS   9 -27.140  -3.509  -3.509
   68    H    VAL  10           HN       VAL  10 -22.829  -3.211  -3.211
   69    HA   VAL  10           HA       VAL  10 -22.112  -1.380  -1.380
   70    HB   VAL  10           HB       VAL  10 -21.403   0.112   0.112
   71   1HG1  VAL  10          HG11      VAL  10 -23.762  -0.671  -0.671
   72   2HG1  VAL  10          HG13      VAL  10 -23.078  -1.573  -1.573
   73   3HG1  VAL  10          HG12      VAL  10 -22.938   0.184   0.184
   74   1HG2  VAL  10          HG21      VAL  10 -20.610  -2.234  -2.234
   75   2HG2  VAL  10          HG23      VAL  10 -19.556  -1.063  -1.063
   76   3HG2  VAL  10          HG22      VAL  10 -20.565  -0.565  -0.565
   77    H    GLY  11           HN       GLY  11 -21.015  -4.251  -4.251
   78   1HA   GLY  11           HA1      GLY  11 -18.368  -4.297  -4.297
   79   2HA   GLY  11           HA2      GLY  11 -19.213  -5.546  -5.546
   80    H    ASP  12           HN       ASP  12 -20.057  -3.666  -3.666
   81    HA   ASP  12           HA       ASP  12 -17.464  -3.428  -3.428
   82   1HB   ASP  12           HB2      ASP  12 -20.219  -3.693  -3.693
   83   2HB   ASP  12           HB1      ASP  12 -19.088  -5.023  -5.023
   84    H    ARG  13           HN       ARG  13 -20.205  -1.707  -1.707
   85    HA   ARG  13           HA       ARG  13 -20.269   0.500   0.500
   86   1HB   ARG  13           HB2      ARG  13 -21.912  -0.047  -0.047
   87   2HB   ARG  13           HB1      ARG  13 -20.738   0.564   0.564
   88   1HG   ARG  13           HG2      ARG  13 -22.226   2.332   2.332
   89   2HG   ARG  13           HG1      ARG  13 -20.797   2.737   2.737
   90   1HD   ARG  13           HD1      ARG  13 -21.850   2.131   2.131
   91   2HD   ARG  13           HD2      ARG  13 -23.159   1.302   1.302
   92    HE   ARG  13           HE       ARG  13 -23.047   4.057   4.057
   93   1HH1  ARG  13          HH11      ARG  13 -24.141   1.854   1.854
   94   2HH1  ARG  13          HH12      ARG  13 -25.416   2.891   2.891
   95   1HH2  ARG  13          HH21      ARG  13 -24.723   5.431   5.431
   96   2HH2  ARG  13          HH22      ARG  13 -25.748   4.926   4.926
   97    H    LEU  14           HN       LEU  14 -18.812   0.542   0.542
   98    HA   LEU  14           HA       LEU  14 -17.248   2.842   2.842
   99   1HB   LEU  14           HB2      LEU  14 -17.638   2.666   2.666
  100   2HB   LEU  14           HB1      LEU  14 -17.525   0.918   0.918
  101    HG   LEU  14           HG       LEU  14 -15.038   1.150   1.150
  102   1HD1  LEU  14          HD22      LEU  14 -15.793   3.936   3.936
  103   2HD1  LEU  14          HD21      LEU  14 -14.591   3.678   3.678
  104   3HD1  LEU  14          HD23      LEU  14 -14.267   3.140   3.140
  105   1HD2  LEU  14          HD12      LEU  14 -16.469   0.973   0.973
  106   2HD2  LEU  14          HD11      LEU  14 -14.735   1.279   1.279
  107   3HD2  LEU  14          HD13      LEU  14 -15.875   2.611   2.611
  108    H    SER  15           HN       SER  15 -16.776  -0.503  -0.503
  109    HA   SER  15           HA       SER  15 -13.921  -0.487  -0.487
  110   1HB   SER  15           HB2      SER  15 -15.271  -2.553  -2.553
  111   2HB   SER  15           HB1      SER  15 -15.808  -2.417  -2.417
  112    HG   SER  15           HG       SER  15 -13.594  -2.578  -2.578
  113    H    GLY  16           HN       GLY  16 -16.424  -0.230  -0.230
  114   1HA   GLY  16           HA1      GLY  16 -14.562  -0.056  -0.056
  115   2HA   GLY  16           HA2      GLY  16 -16.278   0.314   0.314
  116    H    ALA  17           HN       ALA  17 -16.176   2.299   2.299
  117    HA   ALA  17           HA       ALA  17 -15.518   4.565   4.565
  118   1HB   ALA  17           HB2      ALA  17 -16.894   4.048   4.048
  119   2HB   ALA  17           HB1      ALA  17 -15.868   5.477   5.477
  120   3HB   ALA  17           HB3      ALA  17 -17.097   5.372   5.372
  121    H    ALA  18           HN       ALA  18 -13.996   2.968   2.968
  122    HA   ALA  18           HA       ALA  18 -11.978   4.953   4.953
  123   1HB   ALA  18           HB1      ALA  18 -12.556   2.269   2.269
  124   2HB   ALA  18           HB3      ALA  18 -10.893   2.846   2.846
  125   3HB   ALA  18           HB2      ALA  18 -12.202   3.787   3.787
  126    H    ALA  19           HN       ALA  19 -12.086   1.804   1.804
  127    HA   ALA  19           HA       ALA  19  -9.353   1.774   1.774
  128   1HB   ALA  19           HB2      ALA  19 -10.727  -0.253  -0.253
  129   2HB   ALA  19           HB1      ALA  19 -11.678   0.330   0.330
  130   3HB   ALA  19           HB3      ALA  19  -9.969  -0.053  -0.053
  131    H    ARG  20           HN       ARG  20 -12.271   2.999   2.999
  132    HA   ARG  20           HA       ARG  20 -11.115   3.503   3.503
  133   1HB   ARG  20           HB1      ARG  20 -13.107   4.712   4.712
  134   2HB   ARG  20           HB2      ARG  20 -13.575   3.345   3.345
  135   1HG   ARG  20           HG2      ARG  20 -13.912   4.708   4.708
  136   2HG   ARG  20           HG1      ARG  20 -13.079   6.075   6.075
  137   1HD   ARG  20           HD1      ARG  20 -15.387   6.565   6.565
  138   2HD   ARG  20           HD2      ARG  20 -14.897   6.076   6.076
  139    HE   ARG  20           HE       ARG  20 -15.943   3.929   3.929
  140   1HH1  ARG  20          HH11      ARG  20 -16.714   6.522   6.522
  141   2HH1  ARG  20          HH12      ARG  20 -18.206   5.813   5.813
  142   1HH2  ARG  20          HH21      ARG  20 -17.908   2.986   2.986
  143   2HH2  ARG  20          HH22      ARG  20 -18.886   3.803   3.803
  144    H    GLY  21           HN       GLY  21 -10.588   4.941   4.941
  145   1HA   GLY  21           HA1      GLY  21  -9.423   6.812   6.812
  146   2HA   GLY  21           HA2      GLY  21  -8.835   6.890   6.890
  147    H    ASP  22           HN       ASP  22 -11.586   7.736   7.736
  148    HA   ASP  22           HA       ASP  22 -11.917  10.184  10.184
  149   1HB   ASP  22           HB2      ASP  22 -13.678   8.019   8.019
  150   2HB   ASP  22           HB1      ASP  22 -14.486   9.163   9.163
  151    H    VAL  23           HN       VAL  23 -10.997  11.348  11.348
  152    HA   VAL  23           HA       VAL  23 -11.556  11.148  11.148
  153    HB   VAL  23           HB       VAL  23  -9.771  12.567  12.567
  154   1HG1  VAL  23          HG13      VAL  23 -11.351  13.272  13.272
  155   2HG1  VAL  23          HG12      VAL  23 -11.331  14.751  14.751
  156   3HG1  VAL  23          HG11      VAL  23  -9.815  14.028  14.028
  157   1HG2  VAL  23          HG23      VAL  23 -11.520  13.290  13.290
  158   2HG2  VAL  23          HG22      VAL  23 -10.056  14.204  14.204
  159   3HG2  VAL  23          HG21      VAL  23 -11.604  14.717  14.717
  160    H    GLN  24           HN       GLN  24 -13.548  12.341  12.341
  161    HA   GLN  24           HA       GLN  24 -15.257  13.976  13.976
  162   1HB   GLN  24           HB2      GLN  24 -15.834  12.680  12.680
  163   2HB   GLN  24           HB1      GLN  24 -16.723  14.012  14.012
  164   1HG   GLN  24           HG1      GLN  24 -13.902  14.604  14.604
  165   2HG   GLN  24           HG2      GLN  24 -14.605  14.191  14.191
  166   1HE2  GLN  24          HE22      GLN  24 -14.931  17.838  17.838
  167   2HE2  GLN  24          HE21      GLN  24 -13.620  16.713  16.713
  168    H    GLU  25           HN       GLU  25 -15.513  10.683  10.683
  169    HA   GLU  25           HA       GLU  25 -18.032  10.161  10.161
  170   1HB   GLU  25           HB2      GLU  25 -15.990   8.236   8.236
  171   2HB   GLU  25           HB1      GLU  25 -17.648   7.833   7.833
  172   1HG   GLU  25           HG2      GLU  25 -17.643  10.071  10.071
  173   2HG   GLU  25           HG1      GLU  25 -16.663   8.774   8.774
  174    H    VAL  26           HN       VAL  26 -14.677   9.294   9.294
  175    HA   VAL  26           HA       VAL  26 -15.094   7.626   7.626
  176    HB   VAL  26           HB       VAL  26 -12.873   8.276   8.276
  177   1HG1  VAL  26          HG21      VAL  26 -13.090  10.493  10.493
  178   2HG1  VAL  26          HG23      VAL  26 -11.614  10.049  10.049
  179   3HG1  VAL  26          HG22      VAL  26 -13.001  10.670  10.670
  180   1HG2  VAL  26          HG13      VAL  26 -13.454   7.051   7.051
  181   2HG2  VAL  26          HG12      VAL  26 -11.833   7.186   7.186
  182   3HG2  VAL  26          HG11      VAL  26 -12.373   8.336   8.336
  183    H    ARG  27           HN       ARG  27 -14.991  11.164  11.164
  184    HA   ARG  27           HA       ARG  27 -15.233  11.522  11.522
  185   1HB   ARG  27           HB2      ARG  27 -15.678  13.331  13.331
  186   2HB   ARG  27           HB1      ARG  27 -15.991  13.869  13.869
  187   1HG   ARG  27           HG2      ARG  27 -13.739  13.716  13.716
  188   2HG   ARG  27           HG1      ARG  27 -13.341  12.716  12.716
  189   1HD   ARG  27           HD2      ARG  27 -13.315  15.577  15.577
  190   2HD   ARG  27           HD1      ARG  27 -12.704  14.568  14.568
  191    HE   ARG  27           HE       ARG  27 -14.662  14.934  14.934
  192   1HH1  ARG  27          HH21      ARG  27 -14.916  16.233  16.233
  193   2HH1  ARG  27          HH22      ARG  27 -16.353  17.139  17.139
  194   1HH2  ARG  27          HH11      ARG  27 -16.552  16.126  16.126
  195   2HH2  ARG  27          HH12      ARG  27 -17.282  17.078  17.078
  196    H    ARG  28           HN       ARG  28 -17.611  12.187  12.187
  197    HA   ARG  28           HA       ARG  28 -19.815  12.533  12.533
  198   1HB   ARG  28           HB2      ARG  28 -19.388  11.963  11.963
  199   2HB   ARG  28           HB1      ARG  28 -20.967  11.514  11.514
  200   1HG   ARG  28           HG2      ARG  28 -21.001  13.903  13.903
  201   2HG   ARG  28           HG1      ARG  28 -19.710  14.217  14.217
  202   1HD   ARG  28           HD2      ARG  28 -21.092  14.027  14.027
  203   2HD   ARG  28           HD1      ARG  28 -22.122  12.830  12.830
  204    HE   ARG  28           HE       ARG  28 -22.280  15.538  15.538
  205   1HH1  ARG  28          HH11      ARG  28 -23.623  13.111  13.111
  206   2HH1  ARG  28          HH12      ARG  28 -25.178  13.865  13.865
  207   1HH2  ARG  28          HH21      ARG  28 -24.325  16.541  16.541
  208   2HH2  ARG  28          HH22      ARG  28 -25.576  15.816  15.816
  209    H    LEU  29           HN       LEU  29 -18.162   9.670   9.670
  210    HA   LEU  29           HA       LEU  29 -20.298   7.828   7.828
  211   1HB   LEU  29           HB1      LEU  29 -17.372   7.672   7.672
  212   2HB   LEU  29           HB2      LEU  29 -18.115   6.306   6.306
  213    HG   LEU  29           HG       LEU  29 -19.017   7.373   7.373
  214   1HD1  LEU  29          HD12      LEU  29 -16.822   5.584   5.584
  215   2HD1  LEU  29          HD11      LEU  29 -17.923   4.927   4.927
  216   3HD1  LEU  29          HD13      LEU  29 -17.117   6.468   6.468
  217   1HD2  LEU  29          HD21      LEU  29 -20.016   5.353   5.353
  218   2HD2  LEU  29          HD23      LEU  29 -20.813   6.139   6.139
  219   3HD2  LEU  29          HD22      LEU  29 -19.766   4.746   4.746
  220    H    LEU  30           HN       LEU  30 -17.300   8.186   8.186
  221    HA   LEU  30           HA       LEU  30 -18.380   6.911   6.911
  222   1HB   LEU  30           HB1      LEU  30 -15.937   8.628   8.628
  223   2HB   LEU  30           HB2      LEU  30 -16.324   7.849   7.849
  224    HG   LEU  30           HG       LEU  30 -14.697   6.762   6.762
  225   1HD1  LEU  30          HD21      LEU  30 -16.132   5.893   5.893
  226   2HD1  LEU  30          HD23      LEU  30 -16.124   4.580   4.580
  227   3HD1  LEU  30          HD22      LEU  30 -14.602   5.290   5.290
  228   1HD2  LEU  30          HD11      LEU  30 -17.452   5.790   5.790
  229   2HD2  LEU  30          HD13      LEU  30 -16.275   6.567   6.567
  230   3HD2  LEU  30          HD12      LEU  30 -15.965   4.947   4.947
  231    H    HIS  31           HN       HIS  31 -17.838  10.322  10.322
  232    HA   HIS  31           HA       HIS  31 -18.782  11.286  11.286
  233   1HB   HIS  31           HB2      HIS  31 -18.314  12.660  12.660
  234   2HB   HIS  31           HB1      HIS  31 -18.824  13.509  13.509
  235    HD2  HIS  31           HD2      HIS  31 -15.721  11.410  11.410
  236    HE1  HIS  31           HE1      HIS  31 -14.574  14.043  14.043
  237    HE2  HIS  31           HE2      HIS  31 -13.792  12.213  12.213
  238    H    ARG  32           HN       ARG  32 -20.429   9.790   9.790
  239    HA   ARG  32           HA       ARG  32 -22.949  10.913  10.913
  240   1HB   ARG  32           HB1      ARG  32 -21.882  11.889  11.889
  241   2HB   ARG  32           HB2      ARG  32 -22.930  10.604  10.604
  242   1HG   ARG  32           HG2      ARG  32 -24.280  12.177  12.177
  243   2HG   ARG  32           HG1      ARG  32 -23.658  13.197  13.197
  244   1HD   ARG  32           HD2      ARG  32 -25.487  12.619  12.619
  245   2HD   ARG  32           HD1      ARG  32 -24.711  11.050  11.050
  246    HE   ARG  32           HE       ARG  32 -26.222  10.138  10.138
  247   1HH1  ARG  32          HH21      ARG  32 -26.296  13.605  13.605
  248   2HH1  ARG  32          HH22      ARG  32 -27.689  13.620  13.620
  249   1HH2  ARG  32          HH11      ARG  32 -28.061  10.144  10.144
  250   2HH2  ARG  32          HH12      ARG  32 -28.692  11.651  11.651
  251    H    GLU  33           HN       GLU  33 -22.118   8.926   8.926
  252    HA   GLU  33           HA       GLU  33 -24.109   7.092   7.092
  253   1HB   GLU  33           HB1      GLU  33 -22.479   7.125   7.125
  254   2HB   GLU  33           HB2      GLU  33 -21.227   6.538   6.538
  255   1HG   GLU  33           HG1      GLU  33 -22.125   4.784   4.784
  256   2HG   GLU  33           HG2      GLU  33 -22.357   4.433   4.433
  257    H    LEU  34           HN       LEU  34 -21.354   7.325   7.325
  258    HA   LEU  34           HA       LEU  34 -20.715   6.172   6.172
  259   1HB   LEU  34           HB1      LEU  34 -23.607   6.274   6.274
  260   2HB   LEU  34           HB2      LEU  34 -23.029   4.834   4.834
  261    HG   LEU  34           HG       LEU  34 -21.468   6.505   6.505
  262   1HD1  LEU  34          HD22      LEU  34 -22.288   8.377   8.377
  263   2HD1  LEU  34          HD21      LEU  34 -23.732   8.384   8.384
  264   3HD1  LEU  34          HD23      LEU  34 -22.153   8.719   8.719
  265   1HD2  LEU  34          HD12      LEU  34 -24.274   5.725   5.725
  266   2HD2  LEU  34          HD11      LEU  34 -22.865   5.511   5.511
  267   3HD2  LEU  34          HD13      LEU  34 -23.698   7.065   7.065
  268    H    VAL  35           HN       VAL  35 -19.781   4.826   4.826
  269    HA   VAL  35           HA       VAL  35 -20.844   2.140   2.140
  270    HB   VAL  35           HB       VAL  35 -18.157   2.685   2.685
  271   1HG1  VAL  35          HG12      VAL  35 -20.599   1.157   1.157
  272   2HG1  VAL  35          HG11      VAL  35 -19.588   1.705   1.705
  273   3HG1  VAL  35          HG13      VAL  35 -18.902   0.680   0.680
  274   1HG2  VAL  35          HG22      VAL  35 -20.473   4.397   4.397
  275   2HG2  VAL  35          HG21      VAL  35 -18.750   4.694   4.694
  276   3HG2  VAL  35          HG23      VAL  35 -19.649   3.738   3.738
  277    H    HIS  36           HN       HIS  36 -19.915   0.284   0.284
  278    HA   HIS  36           HA       HIS  36 -18.326   0.582   0.582
  279   1HB   HIS  36           HB1      HIS  36 -20.193  -1.189  -1.189
  280   2HB   HIS  36           HB2      HIS  36 -18.815  -2.088  -2.088
  281    HD2  HIS  36           HD2      HIS  36 -19.562  -0.294  -0.294
  282    HE1  HIS  36           HE1      HIS  36 -17.612  -3.996  -3.996
  283    HE2  HIS  36           HE2      HIS  36 -18.781  -2.040  -2.040
  284    HA   PRO  37           HA       PRO  37 -14.317   0.131   0.131
  285   1HB   PRO  37           HB1      PRO  37 -12.978  -0.885  -0.885
  286   2HB   PRO  37           HB2      PRO  37 -13.458   0.811   0.811
  287   1HG   PRO  37           HG1      PRO  37 -14.789  -1.435  -1.435
  288   2HG   PRO  37           HG2      PRO  37 -14.498   0.232   0.232
  289   1HD   PRO  37           HD2      PRO  37 -16.900  -0.591  -0.591
  290   2HD   PRO  37           HD1      PRO  37 -16.299   1.057   1.057
  291    H    ASP  38           HN       ASP  38 -16.016  -2.550  -2.550
  292    HA   ASP  38           HA       ASP  38 -14.149  -4.504  -4.504
  293   1HB   ASP  38           HB2      ASP  38 -16.222  -5.982  -5.982
  294   2HB   ASP  38           HB1      ASP  38 -16.351  -4.539  -4.539
  295    H    ALA  39           HN       ALA  39 -15.560  -2.800  -2.800
  296    HA   ALA  39           HA       ALA  39 -17.681  -4.354  -4.354
  297   1HB   ALA  39           HB2      ALA  39 -16.712  -1.682  -1.682
  298   2HB   ALA  39           HB1      ALA  39 -16.764  -2.398  -2.398
  299   3HB   ALA  39           HB3      ALA  39 -18.218  -2.366  -2.366
  300    H    LEU  40           HN       LEU  40 -17.459  -5.931  -5.931
  301    HA   LEU  40           HA       LEU  40 -14.960  -6.078  -6.078
  302   1HB   LEU  40           HB2      LEU  40 -16.346  -8.612  -8.612
  303   2HB   LEU  40           HB1      LEU  40 -14.632  -8.280  -8.280
  304    HG   LEU  40           HG       LEU  40 -15.589  -6.935  -6.935
  305   1HD1  LEU  40          HD11      LEU  40 -17.183  -9.118  -9.118
  306   2HD1  LEU  40          HD13      LEU  40 -15.932  -9.768  -9.768
  307   3HD1  LEU  40          HD12      LEU  40 -16.889  -8.380  -8.380
  308   1HD2  LEU  40          HD21      LEU  40 -13.710  -9.224  -9.224
  309   2HD2  LEU  40          HD23      LEU  40 -13.311  -7.532  -7.532
  310   3HD2  LEU  40          HD22      LEU  40 -13.961  -8.530  -8.530
  311    H    ASN  41           HN       ASN  41 -15.266  -6.073  -6.073
  312    HA   ASN  41           HA       ASN  41 -17.817  -5.972  -5.972
  313   1HB   ASN  41           HB2      ASN  41 -16.405  -6.421  -6.421
  314   2HB   ASN  41           HB1      ASN  41 -16.190  -4.915  -4.915
  315   1HD2  ASN  41          HD22      ASN  41 -12.817  -5.412  -5.412
  316   2HD2  ASN  41          HD21      ASN  41 -14.171  -4.348  -4.348
  317    H    ARG  42           HN       ARG  42 -15.325  -8.497  -8.497
  318    HA   ARG  42           HA       ARG  42 -17.437 -10.377 -10.377
  319   1HB   ARG  42           HB1      ARG  42 -15.426 -10.112 -10.112
  320   2HB   ARG  42           HB2      ARG  42 -14.439 -10.736 -10.736
  321   1HG   ARG  42           HG2      ARG  42 -14.901 -12.470 -12.470
  322   2HG   ARG  42           HG1      ARG  42 -15.669 -12.848 -12.848
  323   1HD   ARG  42           HD1      ARG  42 -17.793 -11.926 -11.926
  324   2HD   ARG  42           HD2      ARG  42 -17.004 -11.701 -11.701
  325    HE   ARG  42           HE       ARG  42 -16.622 -14.343 -14.343
  326   1HH1  ARG  42          HH11      ARG  42 -19.378 -12.244 -12.244
  327   2HH1  ARG  42          HH12      ARG  42 -20.432 -13.509 -13.509
  328   1HH2  ARG  42          HH21      ARG  42 -18.001 -16.014 -16.014
  329   2HH2  ARG  42          HH22      ARG  42 -19.649 -15.652 -15.652
  330    H    PHE  43           HN       PHE  43 -17.541  -9.770  -9.770
  331    HA   PHE  43           HA       PHE  43 -17.255 -10.553 -10.553
  332   1HB   PHE  43           HB2      PHE  43 -19.061 -11.931 -11.931
  333   2HB   PHE  43           HB1      PHE  43 -17.974 -12.996 -12.996
  334    HD1  PHE  43           HD2      PHE  43 -18.166 -11.687 -11.687
  335    HD2  PHE  43           HD1      PHE  43 -17.781 -15.075 -15.075
  336    HE1  PHE  43           HE2      PHE  43 -18.006 -13.156 -13.156
  337    HE2  PHE  43           HE1      PHE  43 -17.621 -16.551 -16.551
  338    HZ   PHE  43           HZ       PHE  43 -17.732 -15.590 -15.590
  339    H    GLY  44           HN       GLY  44 -14.821 -10.055 -10.055
  340   1HA   GLY  44           HA1      GLY  44 -13.312 -12.077 -12.077
  341   2HA   GLY  44           HA2      GLY  44 -12.957 -12.078 -12.078
  342    H    LYS  45           HN       LYS  45 -12.546  -9.758  -9.758
  343    HA   LYS  45           HA       LYS  45 -10.401  -8.663  -8.663
  344   1HB   LYS  45           HB1      LYS  45 -11.258  -7.649  -7.649
  345   2HB   LYS  45           HB2      LYS  45  -9.673  -7.546  -7.546
  346   1HG   LYS  45           HG1      LYS  45  -9.338  -9.919  -9.919
  347   2HG   LYS  45           HG2      LYS  45 -10.971 -10.099 -10.099
  348   1HD   LYS  45           HD1      LYS  45  -9.790  -9.995  -9.995
  349   2HD   LYS  45           HD2      LYS  45 -10.120  -8.278  -8.278
  350   1HE   LYS  45           HE2      LYS  45  -7.817  -8.489  -8.489
  351   2HE   LYS  45           HE1      LYS  45  -7.904  -8.098  -8.098
  352   1HZ   LYS  45           HZ3      LYS  45  -7.730 -10.573 -10.573
  353   2HZ   LYS  45           HZ2      LYS  45  -7.294 -10.712 -10.712
  354   3HZ   LYS  45           HZ1      LYS  45  -6.334  -9.807  -9.807
  355    H    THR  46           HN       THR  46 -10.260  -6.531  -6.531
  356    HA   THR  46           HA       THR  46 -12.840  -5.236  -5.236
  357    HB   THR  46           HB       THR  46 -11.344  -3.711  -3.711
  358    HG1  THR  46           HG1      THR  46  -9.650  -5.969  -5.969
  359   1HG2  THR  46          HG21      THR  46 -12.852  -5.774  -5.774
  360   2HG2  THR  46          HG23      THR  46 -11.282  -6.474  -6.474
  361   3HG2  THR  46          HG22      THR  46 -11.797  -4.972  -4.972
  362    H    ALA  47           HN       ALA  47 -12.435  -2.659  -2.659
  363    HA   ALA  47           HA       ALA  47 -12.095  -1.800  -1.800
  364   1HB   ALA  47           HB1      ALA  47 -13.700  -0.827  -0.827
  365   2HB   ALA  47           HB3      ALA  47 -12.311  -0.014  -0.014
  366   3HB   ALA  47           HB2      ALA  47 -12.773   0.341   0.341
  367    H    LEU  48           HN       LEU  48 -10.141  -1.626  -1.626
  368    HA   LEU  48           HA       LEU  48  -8.196   0.166   0.166
  369   1HB   LEU  48           HB1      LEU  48  -8.630  -1.342  -1.342
  370   2HB   LEU  48           HB2      LEU  48  -6.945  -1.384  -1.384
  371    HG   LEU  48           HG       LEU  48  -8.284   1.268   1.268
  372   1HD1  LEU  48          HD11      LEU  48  -9.020   0.068   0.068
  373   2HD1  LEU  48          HD13      LEU  48  -7.321   0.041   0.041
  374   3HD1  LEU  48          HD12      LEU  48  -8.146   1.582   1.582
  375   1HD2  LEU  48          HD21      LEU  48  -5.620   0.164   0.164
  376   2HD2  LEU  48          HD23      LEU  48  -6.158   1.803   1.803
  377   3HD2  LEU  48          HD22      LEU  48  -5.832   1.333   1.333
  378    H    GLN  49           HN       GLN  49  -8.610  -3.305  -3.305
  379    HA   GLN  49           HA       GLN  49  -5.972  -3.942  -3.942
  380   1HB   GLN  49           HB2      GLN  49  -7.327  -5.657  -5.657
  381   2HB   GLN  49           HB1      GLN  49  -8.578  -5.452  -5.452
  382   1HG   GLN  49           HG1      GLN  49  -7.577  -6.850  -6.850
  383   2HG   GLN  49           HG2      GLN  49  -6.010  -6.072  -6.072
  384   1HE2  GLN  49          HE22      GLN  49  -5.545  -9.480  -9.480
  385   2HE2  GLN  49          HE21      GLN  49  -5.808  -8.627  -8.627
  386    H    VAL  50           HN       VAL  50  -8.615  -2.516  -2.516
  387    HA   VAL  50           HA       VAL  50  -7.529  -3.206  -3.206
  388    HB   VAL  50           HB       VAL  50  -9.773  -2.225  -2.225
  389   1HG1  VAL  50          HG11      VAL  50  -9.087  -4.842  -4.842
  390   2HG1  VAL  50          HG13      VAL  50 -10.825  -4.539  -4.539
  391   3HG1  VAL  50          HG12      VAL  50  -9.914  -4.408  -4.408
  392   1HG2  VAL  50          HG23      VAL  50 -10.450  -2.765  -2.765
  393   2HG2  VAL  50          HG22      VAL  50 -10.433  -1.188  -1.188
  394   3HG2  VAL  50          HG21      VAL  50 -11.612  -2.405  -2.405
  395    H    MET  51           HN       MET  51  -8.118  -0.652  -0.652
  396    HA   MET  51           HA       MET  51  -8.336   1.640   1.640
  397   1HB   MET  51           HB2      MET  51  -7.831   1.253   1.253
  398   2HB   MET  51           HB1      MET  51  -6.144   1.417   1.417
  399   1HG   MET  51           HG2      MET  51  -6.714   3.636   3.636
  400   2HG   MET  51           HG1      MET  51  -8.322   3.467   3.467
  401   1HE   MET  51           HE2      MET  51  -4.828   2.667   2.667
  402   2HE   MET  51           HE1      MET  51  -4.303   4.080   4.080
  403   3HE   MET  51           HE3      MET  51  -4.831   2.626   2.626
  404    H    MET  52           HN       MET  52  -7.357   2.570   2.570
  405    HA   MET  52           HA       MET  52  -4.802   1.534   1.534
  406   1HB   MET  52           HB1      MET  52  -5.267   2.537   2.537
  407   2HB   MET  52           HB2      MET  52  -6.838   1.998   1.998
  408   1HG   MET  52           HG2      MET  52  -7.599   4.046   4.046
  409   2HG   MET  52           HG1      MET  52  -6.519   4.599   4.599
  410   1HE   MET  52           HE1      MET  52  -7.239   6.741   6.741
  411   2HE   MET  52           HE3      MET  52  -6.301   7.204   7.204
  412   3HE   MET  52           HE2      MET  52  -7.596   6.015   6.015
  413    H    PHE  53           HN       PHE  53  -5.213   3.362   3.362
  414    HA   PHE  53           HA       PHE  53  -4.356   5.295   5.295
  415   1HB   PHE  53           HB2      PHE  53  -1.919   4.382   4.382
  416   2HB   PHE  53           HB1      PHE  53  -1.943   5.337   5.337
  417    HD1  PHE  53           HD1      PHE  53  -3.364   2.086   2.086
  418    HD2  PHE  53           HD2      PHE  53  -1.373   4.222   4.222
  419    HE1  PHE  53           HE1      PHE  53  -3.243   0.021   0.021
  420    HE2  PHE  53           HE2      PHE  53  -1.249   2.158   2.158
  421    HZ   PHE  53           HZ       PHE  53  -2.206   0.050   0.050
  422    H    GLY  54           HN       GLY  54  -5.658   5.704   5.704
  423   1HA   GLY  54           HA2      GLY  54  -4.094   7.508   7.508
  424   2HA   GLY  54           HA1      GLY  54  -5.835   7.286   7.286
  425    H    SER  55           HN       SER  55  -6.622   7.965   7.965
  426    HA   SER  55           HA       SER  55  -5.933  10.825  10.825
  427   1HB   SER  55           HB1      SER  55  -8.460   9.337   9.337
  428   2HB   SER  55           HB2      SER  55  -8.163  10.978  10.978
  429    HG   SER  55           HG       SER  55  -7.715  11.368  11.368
  430    HA   PRO  56           HA       PRO  56  -4.059  10.062  10.062
  431   1HB   PRO  56           HB1      PRO  56  -3.856  12.631  12.631
  432   2HB   PRO  56           HB2      PRO  56  -2.813  11.950  11.950
  433   1HG   PRO  56           HG1      PRO  56  -5.266  13.645  13.645
  434   2HG   PRO  56           HG2      PRO  56  -3.718  13.761  13.761
  435   1HD   PRO  56           HD1      PRO  56  -5.904  12.584  12.584
  436   2HD   PRO  56           HD2      PRO  56  -4.252  12.048  12.048
  437    H    ALA  57           HN       ALA  57  -6.861  12.223  12.223
  438    HA   ALA  57           HA       ALA  57  -7.524  12.226  12.226
  439   1HB   ALA  57           HB1      ALA  57  -8.440  13.551  13.551
  440   2HB   ALA  57           HB3      ALA  57  -9.773  12.437  12.437
  441   3HB   ALA  57           HB2      ALA  57  -9.242  13.541  13.541
  442    H    VAL  58           HN       VAL  58  -8.369  10.033  10.033
  443    HA   VAL  58           HA       VAL  58 -10.400   8.612   8.612
  444    HB   VAL  58           HB       VAL  58 -10.129   6.946   6.946
  445   1HG1  VAL  58          HG22      VAL  58  -9.386   9.625   9.625
  446   2HG1  VAL  58          HG21      VAL  58 -10.029   8.265   8.265
  447   3HG1  VAL  58          HG23      VAL  58 -11.017   9.035   9.035
  448   1HG2  VAL  58          HG13      VAL  58  -7.351   7.595   7.595
  449   2HG2  VAL  58          HG12      VAL  58  -8.107   6.187   6.187
  450   3HG2  VAL  58          HG11      VAL  58  -7.842   7.652   7.652
  451    H    ALA  59           HN       ALA  59  -6.934   8.477   8.477
  452    HA   ALA  59           HA       ALA  59  -6.660   5.912   5.912
  453   1HB   ALA  59           HB2      ALA  59  -4.993   8.328   8.328
  454   2HB   ALA  59           HB1      ALA  59  -4.590   7.247   7.247
  455   3HB   ALA  59           HB3      ALA  59  -4.600   6.639   6.639
  456    H    LEU  60           HN       LEU  60  -6.602   9.075   9.075
  457    HA   LEU  60           HA       LEU  60  -6.758   8.020   8.020
  458   1HB   LEU  60           HB2      LEU  60  -5.955  10.251  10.251
  459   2HB   LEU  60           HB1      LEU  60  -7.460  10.736  10.736
  460    HG   LEU  60           HG       LEU  60  -7.015  11.489  11.489
  461   1HD1  LEU  60          HD12      LEU  60  -9.327  10.970  10.970
  462   2HD1  LEU  60          HD11      LEU  60  -9.607  10.204  10.204
  463   3HD1  LEU  60          HD13      LEU  60  -9.196  11.917  11.917
  464   1HD2  LEU  60          HD23      LEU  60  -6.646   8.785   8.785
  465   2HD2  LEU  60          HD22      LEU  60  -6.880  10.002  10.002
  466   3HD2  LEU  60          HD21      LEU  60  -8.258   9.084   9.084
  467    H    GLU  61           HN       GLU  61  -9.251   9.143   9.143
  468    HA   GLU  61           HA       GLU  61 -11.426   9.001   9.001
  469   1HB   GLU  61           HB2      GLU  61 -11.026   9.330   9.330
  470   2HB   GLU  61           HB1      GLU  61 -12.459   8.375   8.375
  471   1HG   GLU  61           HG1      GLU  61 -13.286  10.523  10.523
  472   2HG   GLU  61           HG2      GLU  61 -13.024  10.268  10.268
  473    H    LEU  62           HN       LEU  62  -9.961   6.602   6.602
  474    HA   LEU  62           HA       LEU  62 -11.879   4.572   4.572
  475   1HB   LEU  62           HB1      LEU  62  -9.071   4.685   4.685
  476   2HB   LEU  62           HB2      LEU  62  -9.707   3.117   3.117
  477    HG   LEU  62           HG       LEU  62 -10.613   4.930   4.930
  478   1HD1  LEU  62          HD13      LEU  62  -8.944   2.724   2.724
  479   2HD1  LEU  62          HD12      LEU  62 -10.473   2.081   2.081
  480   3HD1  LEU  62          HD11      LEU  62  -9.684   3.413   3.413
  481   1HD2  LEU  62          HD23      LEU  62 -12.228   3.044   3.044
  482   2HD2  LEU  62          HD22      LEU  62 -12.722   4.432   4.432
  483   3HD2  LEU  62          HD21      LEU  62 -12.360   2.894   2.894
  484    H    LEU  63           HN       LEU  63  -8.594   4.777   4.777
  485    HA   LEU  63           HA       LEU  63  -9.022   2.782   2.782
  486   1HB   LEU  63           HB2      LEU  63  -6.786   3.289   3.289
  487   2HB   LEU  63           HB1      LEU  63  -6.997   4.992   4.992
  488    HG   LEU  63           HG       LEU  63  -7.301   4.311   4.311
  489   1HD1  LEU  63          HD21      LEU  63  -7.507   1.797   1.797
  490   2HD1  LEU  63          HD23      LEU  63  -5.805   1.832   1.832
  491   3HD1  LEU  63          HD22      LEU  63  -7.049   2.189   2.189
  492   1HD2  LEU  63          HD12      LEU  63  -5.043   4.871   4.871
  493   2HD2  LEU  63          HD11      LEU  63  -5.166   4.878   4.878
  494   3HD2  LEU  63          HD13      LEU  63  -4.593   3.436   3.436
  495    H    LYS  64           HN       LYS  64 -10.106   5.988   5.988
  496    HA   LYS  64           HA       LYS  64 -10.098   6.719   6.719
  497   1HB   LYS  64           HB2      LYS  64 -10.515   8.446   8.446
  498   2HB   LYS  64           HB1      LYS  64 -11.791   7.542   7.542
  499   1HG   LYS  64           HG1      LYS  64 -12.914   9.182   9.182
  500   2HG   LYS  64           HG2      LYS  64 -13.066   7.736   7.736
  501   1HD   LYS  64           HD2      LYS  64 -12.384   9.150   9.150
  502   2HD   LYS  64           HD1      LYS  64 -10.787   8.735   8.735
  503   1HE   LYS  64           HE2      LYS  64 -11.486  10.783  10.783
  504   2HE   LYS  64           HE1      LYS  64 -12.278  11.263  11.263
  505   1HZ   LYS  64           HZ1      LYS  64  -9.438  10.440  10.440
  506   2HZ   LYS  64           HZ3      LYS  64  -9.910  12.041  12.041
  507   3HZ   LYS  64           HZ2      LYS  64 -10.251  11.311  11.311
  508    H    GLN  65           HN       GLN  65 -12.344   4.810   4.810
  509    HA   GLN  65           HA       GLN  65 -14.416   4.704   4.704
  510   1HB   GLN  65           HB1      GLN  65 -13.962   3.705   3.705
  511   2HB   GLN  65           HB2      GLN  65 -14.409   2.339   2.339
  512   1HG   GLN  65           HG1      GLN  65 -15.986   4.895   4.895
  513   2HG   GLN  65           HG2      GLN  65 -16.314   3.464   3.464
  514   1HE2  GLN  65          HE22      GLN  65 -18.610   3.242   3.242
  515   2HE2  GLN  65          HE21      GLN  65 -18.366   4.200   4.200
  516    H    GLY  66           HN       GLY  66 -11.353   3.265   3.265
  517   1HA   GLY  66           HA2      GLY  66 -10.482   2.131   2.131
  518   2HA   GLY  66           HA1      GLY  66 -12.093   1.508   1.508
  519    H    ALA  67           HN       ALA  67 -10.505   1.491   1.491
  520    HA   ALA  67           HA       ALA  67 -10.992  -1.309  -1.309
  521   1HB   ALA  67           HB3      ALA  67  -9.595   0.749   0.749
  522   2HB   ALA  67           HB2      ALA  67  -9.646  -0.955  -0.955
  523   3HB   ALA  67           HB1      ALA  67 -11.145  -0.041  -0.041
  524    H    SER  68           HN       SER  68  -8.984  -2.552  -2.552
  525    HA   SER  68           HA       SER  68  -6.739  -2.316  -2.316
  526   1HB   SER  68           HB1      SER  68  -7.910  -4.285  -4.285
  527   2HB   SER  68           HB2      SER  68  -8.125  -4.787  -4.787
  528    HG   SER  68           HG       SER  68  -6.160  -5.579  -5.579
  529    HA   PRO  69           HA       PRO  69  -4.866  -1.522  -1.522
  530   1HB   PRO  69           HB2      PRO  69  -2.618  -0.951  -0.951
  531   2HB   PRO  69           HB1      PRO  69  -3.214  -0.004  -0.004
  532   1HG   PRO  69           HG2      PRO  69  -3.730   0.745   0.745
  533   2HG   PRO  69           HG1      PRO  69  -4.950   0.921   0.921
  534   1HD   PRO  69           HD1      PRO  69  -4.764  -1.109  -1.109
  535   2HD   PRO  69           HD2      PRO  69  -6.199  -0.330  -0.330
  536    H    ASN  70           HN       ASN  70  -4.068  -3.628  -3.628
  537    HA   ASN  70           HA       ASN  70  -1.977  -4.978  -4.978
  538   1HB   ASN  70           HB1      ASN  70  -2.873  -6.037  -6.037
  539   2HB   ASN  70           HB2      ASN  70  -1.246  -5.883  -5.883
  540   1HD2  ASN  70          HD22      ASN  70  -1.735  -3.487  -3.487
  541   2HD2  ASN  70          HD21      ASN  70  -1.926  -5.194  -5.194
  542    H    VAL  71           HN       VAL  71  -3.903  -5.423  -5.423
  543    HA   VAL  71           HA       VAL  71  -5.339  -7.849  -7.849
  544    HB   VAL  71           HB       VAL  71  -6.628  -7.408  -7.408
  545   1HG1  VAL  71          HG21      VAL  71  -6.797  -5.835  -5.835
  546   2HG1  VAL  71          HG23      VAL  71  -7.905  -5.474  -5.474
  547   3HG1  VAL  71          HG22      VAL  71  -7.871  -7.089  -7.089
  548   1HG2  VAL  71          HG13      VAL  71  -4.839  -5.678  -5.678
  549   2HG2  VAL  71          HG12      VAL  71  -6.535  -5.315  -5.315
  550   3HG2  VAL  71          HG11      VAL  71  -5.718  -4.581  -4.581
  551    H    GLN  72           HN       GLN  72  -5.288  -9.719  -9.719
  552    HA   GLN  72           HA       GLN  72  -3.473  -9.799  -9.799
  553   1HB   GLN  72           HB2      GLN  72  -3.221 -11.901 -11.901
  554   2HB   GLN  72           HB1      GLN  72  -2.095 -11.496 -11.496
  555   1HG   GLN  72           HG2      GLN  72  -1.384  -9.536  -9.536
  556   2HG   GLN  72           HG1      GLN  72  -2.711  -9.623  -9.623
  557   1HE2  GLN  72          HE22      GLN  72   0.581 -10.905 -10.905
  558   2HE2  GLN  72          HE21      GLN  72   0.193  -9.515  -9.515
  559    H    ASP  73           HN       ASP  73  -3.942 -11.383 -11.383
  560    HA   ASP  73           HA       ASP  73  -6.440 -12.864 -12.864
  561   1HB   ASP  73           HB2      ASP  73  -6.653 -12.912 -12.912
  562   2HB   ASP  73           HB1      ASP  73  -6.663 -11.282 -11.282
  563    H    ALA  74           HN       ALA  74  -6.372 -14.701 -14.701
  564    HA   ALA  74           HA       ALA  74  -4.744 -16.731 -16.731
  565   1HB   ALA  74           HB1      ALA  74  -6.909 -16.682 -16.682
  566   2HB   ALA  74           HB3      ALA  74  -5.632 -17.125 -17.125
  567   3HB   ALA  74           HB2      ALA  74  -5.917 -18.107 -18.107
  568    H    SER  75           HN       SER  75  -2.726 -15.340 -15.340
  569    HA   SER  75           HA       SER  75  -0.903 -16.419 -16.419
  570   1HB   SER  75           HB2      SER  75  -0.579 -13.898 -13.898
  571   2HB   SER  75           HB1      SER  75  -1.344 -15.259 -15.259
  572    HG   SER  75           HG       SER  75  -3.154 -14.216 -14.216
  573    H    GLY  76           HN       GLY  76  -1.502 -13.168 -13.168
  574   1HA   GLY  76           HA2      GLY  76  -0.357 -12.690 -12.690
  575   2HA   GLY  76           HA1      GLY  76   1.063 -13.441 -13.441
  576    H    THR  77           HN       THR  77  -1.164 -10.707 -10.707
  577    HA   THR  77           HA       THR  77   0.998  -8.900  -8.900
  578    HB   THR  77           HB       THR  77  -0.716  -8.540  -8.540
  579    HG1  THR  77           HG1      THR  77   0.719 -10.950 -10.950
  580   1HG2  THR  77          HG22      THR  77   1.726  -7.823  -7.823
  581   2HG2  THR  77          HG21      THR  77   2.123  -9.438  -9.438
  582   3HG2  THR  77          HG23      THR  77   1.238  -8.319  -8.319
  583    H    SER  78           HN       SER  78   0.437  -6.871  -6.871
  584    HA   SER  78           HA       SER  78  -2.420  -6.374  -6.374
  585   1HB   SER  78           HB2      SER  78  -0.592  -4.574  -4.574
  586   2HB   SER  78           HB1      SER  78  -1.882  -5.582  -5.582
  587    HG   SER  78           HG       SER  78   0.165  -6.204  -6.204
  588    HA   PRO  79           HA       PRO  79  -2.606  -2.639  -2.639
  589   1HB   PRO  79           HB1      PRO  79  -2.575  -0.848  -0.848
  590   2HB   PRO  79           HB2      PRO  79  -3.815  -1.054  -1.054
  591   1HG   PRO  79           HG2      PRO  79  -4.166  -1.992  -1.992
  592   2HG   PRO  79           HG1      PRO  79  -4.765  -2.877  -2.877
  593   1HD   PRO  79           HD2      PRO  79  -2.329  -3.384  -3.384
  594   2HD   PRO  79           HD1      PRO  79  -3.478  -4.545  -4.545
  595    H    VAL  80           HN       VAL  80  -0.372  -2.234  -2.234
  596    HA   VAL  80           HA       VAL  80   1.152  -0.146  -0.146
  597    HB   VAL  80           HB       VAL  80   2.966  -1.078  -1.078
  598   1HG1  VAL  80          HG21      VAL  80   1.087   0.586   0.586
  599   2HG1  VAL  80          HG23      VAL  80   0.385  -0.763  -0.763
  600   3HG1  VAL  80          HG22      VAL  80   1.988  -0.162  -0.162
  601   1HG2  VAL  80          HG11      VAL  80   1.417  -3.383  -3.383
  602   2HG2  VAL  80          HG13      VAL  80   2.805  -3.104  -3.104
  603   3HG2  VAL  80          HG12      VAL  80   1.174  -2.776  -2.776
  604    H    HIS  81           HN       HIS  81   1.171  -3.564  -3.564
  605    HA   HIS  81           HA       HIS  81   3.735  -3.803  -3.803
  606   1HB   HIS  81           HB2      HIS  81   1.227  -5.376  -5.376
  607   2HB   HIS  81           HB1      HIS  81   2.339  -5.668  -5.668
  608    HD2  HIS  81           HD2      HIS  81   5.052  -6.306  -6.306
  609    HE1  HIS  81           HE1      HIS  81   3.398  -8.106  -8.106
  610    HE2  HIS  81           HE2      HIS  81   5.519  -7.730  -7.730
  611    H    ASP  82           HN       ASP  82   0.649  -3.751  -3.751
  612    HA   ASP  82           HA       ASP  82   1.786  -3.238  -3.238
  613   1HB   ASP  82           HB1      ASP  82  -0.749  -3.754  -3.754
  614   2HB   ASP  82           HB2      ASP  82  -0.888  -2.093  -2.093
  615    H    ALA  83           HN       ALA  83   0.475  -1.000  -1.000
  616    HA   ALA  83           HA       ALA  83   0.593   1.367   1.367
  617   1HB   ALA  83           HB3      ALA  83  -0.008   0.696   0.696
  618   2HB   ALA  83           HB2      ALA  83   1.489   1.602   1.602
  619   3HB   ALA  83           HB1      ALA  83   0.118   2.348   2.348
  620    H    ALA  84           HN       ALA  84   3.186  -0.517  -0.517
  621    HA   ALA  84           HA       ALA  84   5.170   1.535   1.535
  622   1HB   ALA  84           HB1      ALA  84   5.030  -0.893  -0.893
  623   2HB   ALA  84           HB3      ALA  84   6.095  -1.245  -1.245
  624   3HB   ALA  84           HB2      ALA  84   6.517   0.030   0.030
  625    H    ARG  85           HN       ARG  85   4.639  -1.374  -1.374
  626    HA   ARG  85           HA       ARG  85   6.542  -0.575  -0.575
  627   1HB   ARG  85           HB2      ARG  85   4.358  -2.648  -2.648
  628   2HB   ARG  85           HB1      ARG  85   5.795  -2.516  -2.516
  629   1HG   ARG  85           HG2      ARG  85   6.782  -2.676  -2.676
  630   2HG   ARG  85           HG1      ARG  85   5.436  -3.818  -3.818
  631   1HD   ARG  85           HD2      ARG  85   6.722  -4.281  -4.281
  632   2HD   ARG  85           HD1      ARG  85   8.051  -3.967  -3.967
  633    HE   ARG  85           HE       ARG  85   6.165  -5.799  -5.799
  634   1HH1  ARG  85          HH11      ARG  85   8.826  -5.526  -5.526
  635   2HH1  ARG  85          HH12      ARG  85   9.292  -7.188  -7.188
  636   1HH2  ARG  85          HH21      ARG  85   6.768  -7.991  -7.991
  637   2HH2  ARG  85          HH22      ARG  85   8.121  -8.589  -8.589
  638    H    THR  86           HN       THR  86   3.181   0.080   0.080
  639    HA   THR  86           HA       THR  86   2.525   0.644   0.644
  640    HB   THR  86           HB       THR  86   0.526   1.755   1.755
  641    HG1  THR  86           HG1      THR  86   1.915   1.330   1.330
  642   1HG2  THR  86          HG22      THR  86   1.296  -0.986  -0.986
  643   2HG2  THR  86          HG21      THR  86   0.031  -0.328  -0.328
  644   3HG2  THR  86          HG23      THR  86  -0.189  -0.353  -0.353
  645    H    GLY  87           HN       GLY  87   3.099   2.815   2.815
  646   1HA   GLY  87           HA1      GLY  87   4.654   4.678   4.678
  647   2HA   GLY  87           HA2      GLY  87   4.040   4.834   4.834
  648    H    PHE  88           HN       PHE  88   2.882   4.890   4.890
  649    HA   PHE  88           HA       PHE  88   1.376   7.318   7.318
  650   1HB   PHE  88           HB2      PHE  88   0.223   4.790   4.790
  651   2HB   PHE  88           HB1      PHE  88  -0.546   6.359   6.359
  652    HD1  PHE  88           HD2      PHE  88  -0.336   7.660   7.660
  653    HD2  PHE  88           HD1      PHE  88  -1.006   3.535   3.535
  654    HE1  PHE  88           HE2      PHE  88  -1.467   7.402   7.402
  655    HE2  PHE  88           HE1      PHE  88  -2.138   3.269   3.269
  656    HZ   PHE  88           HZ       PHE  88  -2.369   5.204   5.204
  657    H    LEU  89           HN       LEU  89   3.683   7.469   7.469
  658    HA   LEU  89           HA       LEU  89   3.854   7.036   7.036
  659   1HB   LEU  89           HB1      LEU  89   5.332   8.406   8.406
  660   2HB   LEU  89           HB2      LEU  89   4.996   9.597   9.597
  661    HG   LEU  89           HG       LEU  89   6.482   6.994   6.994
  662   1HD1  LEU  89          HD12      LEU  89   7.173   9.851   9.851
  663   2HD1  LEU  89          HD11      LEU  89   7.980   8.917   8.917
  664   3HD1  LEU  89          HD13      LEU  89   8.129   8.432   8.432
  665   1HD2  LEU  89          HD22      LEU  89   5.142   8.683   8.683
  666   2HD2  LEU  89          HD21      LEU  89   5.321   6.930   6.930
  667   3HD2  LEU  89          HD23      LEU  89   6.693   7.937   7.937
  668    H    ASP  90           HN       ASP  90   2.084   9.518   9.518
  669    HA   ASP  90           HA       ASP  90   1.678  11.324  11.324
  670   1HB   ASP  90           HB2      ASP  90  -0.582  11.705  11.705
  671   2HB   ASP  90           HB1      ASP  90   0.967  12.227  12.227
  672    H    THR  91           HN       THR  91  -0.805   9.088   9.088
  673    HA   THR  91           HA       THR  91  -2.355   9.226   9.226
  674    HB   THR  91           HB       THR  91  -2.373   7.174   7.174
  675    HG1  THR  91           HG1      THR  91  -2.892   9.232   9.232
  676   1HG2  THR  91          HG23      THR  91  -4.333   7.673   7.673
  677   2HG2  THR  91          HG22      THR  91  -4.763   6.854   6.854
  678   3HG2  THR  91          HG21      THR  91  -3.537   6.162   6.162
  679    H    LEU  92           HN       LEU  92   0.110   6.985   6.985
  680    HA   LEU  92           HA       LEU  92  -0.212   4.914   4.914
  681   1HB   LEU  92           HB1      LEU  92   1.427   5.083   5.083
  682   2HB   LEU  92           HB2      LEU  92   2.471   5.987   5.987
  683    HG   LEU  92           HG       LEU  92   2.822   4.112   4.112
  684   1HD1  LEU  92          HD23      LEU  92   0.469   2.931   2.931
  685   2HD1  LEU  92          HD22      LEU  92   1.614   1.924   1.924
  686   3HD1  LEU  92          HD21      LEU  92   0.703   3.176   3.176
  687   1HD2  LEU  92          HD12      LEU  92   3.974   4.121   4.121
  688   2HD2  LEU  92          HD11      LEU  92   3.850   2.545   2.545
  689   3HD2  LEU  92          HD13      LEU  92   2.763   2.959   2.959
  690    H    LYS  93           HN       LYS  93   1.718   7.876   7.876
  691    HA   LYS  93           HA       LYS  93   2.744   7.408   7.408
  692   1HB   LYS  93           HB2      LYS  93   2.735   9.527   9.527
  693   2HB   LYS  93           HB1      LYS  93   1.944  10.185  10.185
  694   1HG   LYS  93           HG1      LYS  93   4.106  10.679  10.679
  695   2HG   LYS  93           HG2      LYS  93   3.994   9.080   9.080
  696   1HD   LYS  93           HD2      LYS  93   5.864   8.692   8.692
  697   2HD   LYS  93           HD1      LYS  93   4.713   8.394   8.394
  698   1HE   LYS  93           HE2      LYS  93   6.644   9.932   9.932
  699   2HE   LYS  93           HE1      LYS  93   5.032  10.545  10.545
  700   1HZ   LYS  93           HZ3      LYS  93   6.085  11.186  11.186
  701   2HZ   LYS  93           HZ2      LYS  93   6.849  11.942  11.942
  702   3HZ   LYS  93           HZ1      LYS  93   5.186  12.140  12.140
  703    H    VAL  94           HN       VAL  94  -0.380   8.791   8.791
  704    HA   VAL  94           HA       VAL  94  -1.294   9.614   9.614
  705    HB   VAL  94           HB       VAL  94  -3.013   8.280   8.280
  706   1HG1  VAL  94          HG22      VAL  94  -3.604   9.436   9.436
  707   2HG1  VAL  94          HG21      VAL  94  -4.218  10.526  10.526
  708   3HG1  VAL  94          HG23      VAL  94  -4.728   8.839   8.839
  709   1HG2  VAL  94          HG11      VAL  94  -1.697  10.947  10.947
  710   2HG2  VAL  94          HG13      VAL  94  -2.009   9.876   9.876
  711   3HG2  VAL  94          HG12      VAL  94  -3.323  10.830  10.830
  712    H    LEU  95           HN       LEU  95  -1.982   6.448   6.448
  713    HA   LEU  95           HA       LEU  95  -3.076   5.359   5.359
  714   1HB   LEU  95           HB1      LEU  95  -3.131   3.249   3.249
  715   2HB   LEU  95           HB2      LEU  95  -3.740   4.553   4.553
  716    HG   LEU  95           HG       LEU  95  -1.109   4.503   4.503
  717   1HD1  LEU  95          HD22      LEU  95  -1.749   1.928   1.928
  718   2HD1  LEU  95          HD21      LEU  95  -1.187   1.800   1.800
  719   3HD1  LEU  95          HD23      LEU  95  -0.189   2.609   2.609
  720   1HD2  LEU  95          HD13      LEU  95  -3.510   4.237   4.237
  721   2HD2  LEU  95          HD12      LEU  95  -1.956   4.068   4.068
  722   3HD2  LEU  95          HD11      LEU  95  -2.823   2.635   2.635
  723    H    VAL  96           HN       VAL  96   0.072   5.119   5.119
  724    HA   VAL  96           HA       VAL  96   1.163   3.191   3.191
  725    HB   VAL  96           HB       VAL  96   2.251   5.019   5.019
  726   1HG1  VAL  96          HG21      VAL  96   3.821   5.410   5.410
  727   2HG1  VAL  96          HG23      VAL  96   4.040   3.671   3.671
  728   3HG1  VAL  96          HG22      VAL  96   4.572   4.469   4.469
  729   1HG2  VAL  96          HG13      VAL  96   1.929   2.160   2.160
  730   2HG2  VAL  96          HG12      VAL  96   1.940   3.054   3.054
  731   3HG2  VAL  96          HG11      VAL  96   3.462   2.599   2.599
  732    H    GLU  97           HN       GLU  97   1.698   6.706   6.706
  733    HA   GLU  97           HA       GLU  97   3.299   7.002   7.002
  734   1HB   GLU  97           HB2      GLU  97   2.875   9.300   9.300
  735   2HB   GLU  97           HB1      GLU  97   2.581   8.741   8.741
  736   1HG   GLU  97           HG1      GLU  97   0.588   9.688   9.688
  737   2HG   GLU  97           HG2      GLU  97   0.127   8.541   8.541
  738    H    HIS  98           HN       HIS  98  -0.147   6.533   6.533
  739    HA   HIS  98           HA       HIS  98  -0.876   7.425   7.425
  740   1HB   HIS  98           HB1      HIS  98  -2.304   6.576   6.576
  741   2HB   HIS  98           HB2      HIS  98  -2.226   5.042   5.042
  742    HD2  HIS  98           HD2      HIS  98  -4.710   7.591   7.591
  743    HE1  HIS  98           HE1      HIS  98  -4.752   6.734   6.734
  744    HE2  HIS  98           HE2      HIS  98  -6.087   7.661   7.661
  745    H    GLY  99           HN       GLY  99   0.584   4.435   4.435
  746   1HA   GLY  99           HA2      GLY  99   1.990   3.498   3.498
  747   2HA   GLY  99           HA1      GLY  99   0.444   3.388   3.388
  748    H    ALA 100           HN       ALA 100  -0.373   2.800   2.800
  749    HA   ALA 100           HA       ALA 100  -1.056   0.172   0.172
  750   1HB   ALA 100           HB3      ALA 100  -0.348   1.766   1.766
  751   2HB   ALA 100           HB2      ALA 100  -0.882   0.088   0.088
  752   3HB   ALA 100           HB1      ALA 100  -1.942   1.306   1.306
  753    H    ASP 101           HN       ASP 101  -0.130  -1.808  -1.808
  754    HA   ASP 101           HA       ASP 101   2.550  -2.194  -2.194
  755   1HB   ASP 101           HB2      ASP 101   1.637  -4.350  -4.350
  756   2HB   ASP 101           HB1      ASP 101   0.314  -3.829  -3.829
  757    H    VAL 102           HN       VAL 102   4.393  -2.451  -2.451
  758    HA   VAL 102           HA       VAL 102   4.218  -2.275  -2.275
  759    HB   VAL 102           HB       VAL 102   6.330  -0.675  -0.675
  760   1HG1  VAL 102          HG12      VAL 102   3.423   0.101   0.101
  761   2HG1  VAL 102          HG11      VAL 102   4.734   1.255   1.255
  762   3HG1  VAL 102          HG13      VAL 102   4.515  -0.082  -0.082
  763   1HG2  VAL 102          HG21      VAL 102   4.586  -0.061  -0.061
  764   2HG2  VAL 102          HG23      VAL 102   6.249  -0.646  -0.646
  765   3HG2  VAL 102          HG22      VAL 102   5.893   0.960   0.960
  766    H    ASN 103           HN       ASN 103   5.140  -4.126  -4.126
  767    HA   ASN 103           HA       ASN 103   7.834  -4.694  -4.694
  768   1HB   ASN 103           HB2      ASN 103   6.818  -6.055  -6.055
  769   2HB   ASN 103           HB1      ASN 103   8.439  -5.479  -5.479
  770   1HD2  ASN 103          HD22      ASN 103   8.080  -2.504  -2.504
  771   2HD2  ASN 103          HD21      ASN 103   9.093  -3.641  -3.641
  772    H    ALA 104           HN       ALA 104   4.867  -5.557  -5.557
  773    HA   ALA 104           HA       ALA 104   5.087  -8.434  -8.434
  774   1HB   ALA 104           HB3      ALA 104   3.038  -6.486  -6.486
  775   2HB   ALA 104           HB2      ALA 104   2.996  -8.110  -8.110
  776   3HB   ALA 104           HB1      ALA 104   2.880  -7.888  -7.888
  777    H    LEU 105           HN       LEU 105   5.675  -9.792  -9.792
  778    HA   LEU 105           HA       LEU 105   6.704  -8.552  -8.552
  779   1HB   LEU 105           HB1      LEU 105   7.422 -11.345 -11.345
  780   2HB   LEU 105           HB2      LEU 105   8.410 -10.047 -10.047
  781    HG   LEU 105           HG       LEU 105   7.592 -10.262 -10.262
  782   1HD1  LEU 105          HD12      LEU 105   9.600 -11.698 -11.698
  783   2HD1  LEU 105          HD11      LEU 105  10.340 -10.671 -10.671
  784   3HD1  LEU 105          HD13      LEU 105   9.120 -11.858 -11.858
  785   1HD2  LEU 105          HD22      LEU 105   9.231  -8.365  -8.365
  786   2HD2  LEU 105          HD21      LEU 105   8.139  -8.061  -8.061
  787   3HD2  LEU 105          HD23      LEU 105   9.742  -8.735  -8.735
  788    H    ASP 106           HN       ASP 106   6.630 -10.017 -10.017
  789    HA   ASP 106           HA       ASP 106   3.916 -10.976 -10.976
  790   1HB   ASP 106           HB1      ASP 106   4.444 -11.055 -11.055
  791   2HB   ASP 106           HB2      ASP 106   4.804  -9.478  -9.478
  792    H    SER 107           HN       SER 107   4.114 -12.858 -12.858
  793    HA   SER 107           HA       SER 107   4.562 -15.219 -15.219
  794   1HB   SER 107           HB1      SER 107   4.858 -15.355 -15.355
  795   2HB   SER 107           HB2      SER 107   3.805 -16.279 -16.279
  796    HG   SER 107           HG       SER 107   2.493 -14.939 -14.939
  797    H    THR 108           HN       THR 108   6.779 -13.163 -13.163
  798    HA   THR 108           HA       THR 108   8.826 -15.219 -15.219
  799    HB   THR 108           HB       THR 108   9.274 -12.292 -12.292
  800    HG1  THR 108           HG1      THR 108   8.261 -14.037 -14.037
  801   1HG2  THR 108          HG21      THR 108  10.557 -14.821 -14.821
  802   2HG2  THR 108          HG23      THR 108  10.468 -13.539 -13.539
  803   3HG2  THR 108          HG22      THR 108  11.263 -13.240 -13.240
  804    H    GLY 109           HN       GLY 109   7.686 -13.144 -13.144
  805   1HA   GLY 109           HA2      GLY 109   8.460 -12.736 -12.736
  806   2HA   GLY 109           HA1      GLY 109   9.823 -13.788 -13.788
  807    H    SER 110           HN       SER 110   8.828 -10.812 -10.812
  808    HA   SER 110           HA       SER 110  11.402  -9.623  -9.623
  809   1HB   SER 110           HB1      SER 110  10.009  -9.709  -9.709
  810   2HB   SER 110           HB2      SER 110  10.932  -8.262  -8.262
  811    HG   SER 110           HG       SER 110  11.951 -10.306 -10.306
  812    H    LEU 111           HN       LEU 111  11.311  -7.763  -7.763
  813    HA   LEU 111           HA       LEU 111   8.902  -6.638  -6.638
  814   1HB   LEU 111           HB1      LEU 111  11.724  -6.145  -6.145
  815   2HB   LEU 111           HB2      LEU 111  10.860  -4.629  -4.629
  816    HG   LEU 111           HG       LEU 111   9.629  -6.529  -6.529
  817   1HD1  LEU 111          HD12      LEU 111  12.408  -6.264  -6.264
  818   2HD1  LEU 111          HD11      LEU 111  11.774  -5.196  -5.196
  819   3HD1  LEU 111          HD13      LEU 111  11.337  -6.903  -6.903
  820   1HD2  LEU 111          HD22      LEU 111   9.908  -3.666  -3.666
  821   2HD2  LEU 111          HD21      LEU 111   8.630  -4.572  -4.572
  822   3HD2  LEU 111          HD23      LEU 111  10.094  -4.130  -4.130
  823    HA   PRO 112           HA       PRO 112   7.365  -4.035  -4.035
  824   1HB   PRO 112           HB2      PRO 112   7.259  -1.902  -1.902
  825   2HB   PRO 112           HB1      PRO 112   5.988  -2.482  -2.482
  826   1HG   PRO 112           HG1      PRO 112   6.002  -3.176  -3.176
  827   2HG   PRO 112           HG2      PRO 112   5.533  -4.338  -4.338
  828   1HD   PRO 112           HD2      PRO 112   8.074  -4.143  -4.143
  829   2HD   PRO 112           HD1      PRO 112   7.212  -5.582  -5.582
  830    H    ILE 113           HN       ILE 113   9.903  -2.823  -2.823
  831    HA   ILE 113           HA       ILE 113  10.662  -0.631  -0.631
  832    HB   ILE 113           HB       ILE 113  11.254  -0.622  -0.622
  833   1HG1  ILE 113          HG11      ILE 113  13.816  -0.933  -0.933
  834   2HG1  ILE 113          HG12      ILE 113  12.756   0.463   0.463
  835   1HG2  ILE 113          HG21      ILE 113  12.679  -3.166  -3.166
  836   2HG2  ILE 113          HG23      ILE 113  13.157  -2.200  -2.200
  837   3HG2  ILE 113          HG22      ILE 113  11.522  -2.854  -2.854
  838   1HD1  ILE 113          HD12      ILE 113  13.705  -0.302  -0.302
  839   2HD1  ILE 113          HD11      ILE 113  14.803   0.529   0.529
  840   3HD1  ILE 113          HD13      ILE 113  13.277   1.283   1.283
  841    H    HIS 114           HN       HIS 114  11.553  -4.011  -4.011
  842    HA   HIS 114           HA       HIS 114  13.905  -3.916  -3.916
  843   1HB   HIS 114           HB1      HIS 114  11.876  -6.129  -6.129
  844   2HB   HIS 114           HB2      HIS 114  13.431  -6.340  -6.340
  845    HD2  HIS 114           HD2      HIS 114  15.364  -4.851  -4.851
  846    HE1  HIS 114           HE1      HIS 114  13.624  -7.489  -7.489
  847    HE2  HIS 114           HE2      HIS 114  15.478  -5.808  -5.808
  848    H    LEU 115           HN       LEU 115  10.515  -4.091  -4.091
  849    HA   LEU 115           HA       LEU 115  11.014  -4.578  -4.578
  850   1HB   LEU 115           HB1      LEU 115   8.486  -3.255  -3.255
  851   2HB   LEU 115           HB2      LEU 115   8.776  -4.746  -4.746
  852    HG   LEU 115           HG       LEU 115   8.679  -4.402  -4.402
  853   1HD1  LEU 115          HD11      LEU 115   6.653  -4.795  -4.795
  854   2HD1  LEU 115          HD13      LEU 115   6.934  -6.379  -6.379
  855   3HD1  LEU 115          HD12      LEU 115   6.545  -4.997  -4.997
  856   1HD2  LEU 115          HD22      LEU 115   9.595  -6.663  -6.663
  857   2HD2  LEU 115          HD21      LEU 115  10.270  -6.053  -6.053
  858   3HD2  LEU 115          HD23      LEU 115   8.782  -6.999  -6.999
  859    H    ALA 116           HN       ALA 116  10.292  -1.708  -1.708
  860    HA   ALA 116           HA       ALA 116  10.032   0.155   0.155
  861   1HB   ALA 116           HB1      ALA 116   9.959   0.262   0.262
  862   2HB   ALA 116           HB3      ALA 116  11.446   1.145   1.145
  863   3HB   ALA 116           HB2      ALA 116   9.920   1.667   1.667
  864    H    ILE 117           HN       ILE 117  12.935  -1.078  -1.078
  865    HA   ILE 117           HA       ILE 117  14.807   0.664   0.664
  866    HB   ILE 117           HB       ILE 117  15.120  -2.208  -2.208
  867   1HG1  ILE 117          HG12      ILE 117  16.023   0.334   0.334
  868   2HG1  ILE 117          HG11      ILE 117  14.483  -0.450  -0.450
  869   1HG2  ILE 117          HG22      ILE 117  16.827  -1.501  -1.501
  870   2HG2  ILE 117          HG21      ILE 117  17.311  -0.218  -0.218
  871   3HG2  ILE 117          HG23      ILE 117  17.494  -1.908  -1.908
  872   1HD1  ILE 117          HD11      ILE 117  15.879  -2.529  -2.529
  873   2HD1  ILE 117          HD13      ILE 117  17.251  -1.422  -1.422
  874   3HD1  ILE 117          HD12      ILE 117  15.894  -1.203  -1.203
  875    H    ARG 118           HN       ARG 118  13.466  -2.403  -2.403
  876    HA   ARG 118           HA       ARG 118  15.105  -2.524  -2.524
  877   1HB   ARG 118           HB2      ARG 118  12.485  -3.933  -3.933
  878   2HB   ARG 118           HB1      ARG 118  14.052  -4.511  -4.511
  879   1HG   ARG 118           HG2      ARG 118  14.552  -4.197  -4.197
  880   2HG   ARG 118           HG1      ARG 118  12.835  -4.601  -4.601
  881   1HD   ARG 118           HD1      ARG 118  14.624  -6.240  -6.240
  882   2HD   ARG 118           HD2      ARG 118  14.710  -6.468  -6.468
  883    HE   ARG 118           HE       ARG 118  12.091  -6.655  -6.655
  884   1HH1  ARG 118          HH11      ARG 118  14.744  -8.064  -8.064
  885   2HH1  ARG 118          HH12      ARG 118  13.847  -9.463  -9.463
  886   1HH2  ARG 118          HH21      ARG 118  10.900  -8.493  -8.493
  887   2HH2  ARG 118          HH22      ARG 118  11.662  -9.707  -9.707
  888    H    GLU 119           HN       GLU 119  12.643  -0.470  -0.470
  889    HA   GLU 119           HA       GLU 119  11.866  -0.125  -0.125
  890   1HB   GLU 119           HB1      GLU 119  10.200   0.911   0.911
  891   2HB   GLU 119           HB2      GLU 119   9.713   0.510   0.510
  892   1HG   GLU 119           HG2      GLU 119  10.734  -1.784  -1.784
  893   2HG   GLU 119           HG1      GLU 119   9.333  -1.040  -1.040
  894    H    GLY 120           HN       GLY 120  12.478   1.595   1.595
  895   1HA   GLY 120           HA1      GLY 120  13.531   3.621   3.621
  896   2HA   GLY 120           HA2      GLY 120  13.886   3.684   3.684
  897    H    HIS 121           HN       HIS 121  10.681   3.322   3.322
  898    HA   HIS 121           HA       HIS 121   9.607   5.424   5.424
  899   1HB   HIS 121           HB2      HIS 121   8.593   3.638   3.638
  900   2HB   HIS 121           HB1      HIS 121   7.659   5.079   5.079
  901    HD2  HIS 121           HD2      HIS 121   7.614   1.552   1.552
  902    HE1  HIS 121           HE1      HIS 121   6.491   3.593   3.593
  903    HE2  HIS 121           HE2      HIS 121   6.413   1.383   1.383
  904    H    SER 122           HN       SER 122  10.923   7.243   7.243
  905    HA   SER 122           HA       SER 122  11.482   9.158   9.158
  906   1HB   SER 122           HB2      SER 122   9.030   9.482   9.482
  907   2HB   SER 122           HB1      SER 122   8.769   8.794   8.794
  908    HG   SER 122           HG       SER 122   8.837  11.064  11.064
  909    H    SER 123           HN       SER 123  10.371   9.831   9.831
  910    HA   SER 123           HA       SER 123  12.519   8.725   8.725
  911   1HB   SER 123           HB2      SER 123  10.174  10.461  10.461
  912   2HB   SER 123           HB1      SER 123  11.465   9.997   9.997
  913    HG   SER 123           HG       SER 123  12.932  11.085  11.085
  914    H    VAL 124           HN       VAL 124   9.812   7.217   7.217
  915    HA   VAL 124           HA       VAL 124   8.570   6.180   6.180
  916    HB   VAL 124           HB       VAL 124   9.162   4.872   4.872
  917   1HG1  VAL 124          HG12      VAL 124   7.493   3.847   3.847
  918   2HG1  VAL 124          HG11      VAL 124   7.389   3.231   3.231
  919   3HG1  VAL 124          HG13      VAL 124   8.894   3.073   3.073
  920   1HG2  VAL 124          HG21      VAL 124   7.522   6.921   6.921
  921   2HG2  VAL 124          HG23      VAL 124   7.162   5.674   5.674
  922   3HG2  VAL 124          HG22      VAL 124   6.429   5.598   5.598
  923    H    VAL 125           HN       VAL 125  11.230   4.599   4.599
  924    HA   VAL 125           HA       VAL 125  11.725   2.544   2.544
  925    HB   VAL 125           HB       VAL 125  14.014   3.906   3.906
  926   1HG1  VAL 125          HG13      VAL 125  14.280   1.848   1.848
  927   2HG1  VAL 125          HG12      VAL 125  13.340   0.981   0.981
  928   3HG1  VAL 125          HG11      VAL 125  14.884   1.711   1.711
  929   1HG2  VAL 125          HG22      VAL 125  11.706   2.514   2.514
  930   2HG2  VAL 125          HG21      VAL 125  12.520   4.005   4.005
  931   3HG2  VAL 125          HG23      VAL 125  13.316   2.450   2.450
  932    H    SER 126           HN       SER 126  12.800   5.882   5.882
  933    HA   SER 126           HA       SER 126  14.644   5.597   5.597
  934   1HB   SER 126           HB2      SER 126  15.041   7.514   7.514
  935   2HB   SER 126           HB1      SER 126  13.326   7.901   7.901
  936    HG   SER 126           HG       SER 126  13.377   8.883   8.883
  937    H    PHE 127           HN       PHE 127  11.289   6.646   6.646
  938    HA   PHE 127           HA       PHE 127  11.025   7.210   7.210
  939   1HB   PHE 127           HB1      PHE 127   9.467   8.250   8.250
  940   2HB   PHE 127           HB2      PHE 127   9.010   6.711   6.711
  941    HD1  PHE 127           HD1      PHE 127   9.216   8.032   8.032
  942    HD2  PHE 127           HD2      PHE 127   6.863   6.098   6.098
  943    HE1  PHE 127           HE1      PHE 127   7.354   7.832   7.832
  944    HE2  PHE 127           HE2      PHE 127   4.996   5.897   5.897
  945    HZ   PHE 127           HZ       PHE 127   5.242   6.765   6.765
  946    H    LEU 128           HN       LEU 128  10.798   4.324   4.324
  947    HA   LEU 128           HA       LEU 128   9.334   2.779   2.779
  948   1HB   LEU 128           HB2      LEU 128  10.431   2.419   2.419
  949   2HB   LEU 128           HB1      LEU 128  10.882   1.062   1.062
  950    HG   LEU 128           HG       LEU 128   8.798   0.657   0.657
  951   1HD1  LEU 128          HD13      LEU 128   9.044   0.551   0.551
  952   2HD1  LEU 128          HD12      LEU 128   7.393   0.425   0.425
  953   3HD1  LEU 128          HD11      LEU 128   8.622  -0.714  -0.714
  954   1HD2  LEU 128          HD22      LEU 128   7.992   2.969   2.969
  955   2HD2  LEU 128          HD21      LEU 128   6.769   1.870   1.870
  956   3HD2  LEU 128          HD23      LEU 128   7.681   2.907   2.907
  957    H    ALA 129           HN       ALA 129  12.324   4.077   4.077
  958    HA   ALA 129           HA       ALA 129  13.826   1.871   1.871
  959   1HB   ALA 129           HB2      ALA 129  14.205   4.808   4.808
  960   2HB   ALA 129           HB1      ALA 129  15.176   3.916   3.916
  961   3HB   ALA 129           HB3      ALA 129  15.254   3.498   3.498
  962    HA   PRO 130           HA       PRO 130  13.050   3.652   3.652
  963   1HB   PRO 130           HB1      PRO 130  11.417   5.825   5.825
  964   2HB   PRO 130           HB2      PRO 130  13.169   5.938   5.938
  965   1HG   PRO 130           HG2      PRO 130  10.999   6.210   6.210
  966   2HG   PRO 130           HG1      PRO 130  12.462   7.189   7.189
  967   1HD   PRO 130           HD1      PRO 130  12.292   5.265   5.265
  968   2HD   PRO 130           HD2      PRO 130  13.812   5.628   5.628
  969    H    GLU 131           HN       GLU 131  10.180   4.344   4.344
  970    HA   GLU 131           HA       GLU 131   8.210   3.613   3.613
  971   1HB   GLU 131           HB2      GLU 131   6.748   3.622   3.622
  972   2HB   GLU 131           HB1      GLU 131   8.087   4.542   4.542
  973   1HG   GLU 131           HG2      GLU 131   8.888   2.588   2.588
  974   2HG   GLU 131           HG1      GLU 131   7.626   1.600   1.600
  975    H    SER 132           HN       SER 132  10.262   1.576   1.576
  976    HA   SER 132           HA       SER 132   8.948  -0.806  -0.806
  977   1HB   SER 132           HB1      SER 132  10.490  -0.342  -0.342
  978   2HB   SER 132           HB2      SER 132  10.316  -1.966  -1.966
  979    HG   SER 132           HG       SER 132   8.391  -1.996  -1.996
  980    H    ASP 133           HN       ASP 133  10.227  -2.497  -2.497
  981    HA   ASP 133           HA       ASP 133  12.094  -1.993  -1.993
  982   1HB   ASP 133           HB1      ASP 133  13.062  -4.359  -4.359
  983   2HB   ASP 133           HB2      ASP 133  11.326  -4.330  -4.330
  984    H    LEU 134           HN       LEU 134  14.010  -1.038  -1.038
  985    HA   LEU 134           HA       LEU 134  15.500  -0.649  -0.649
  986   1HB   LEU 134           HB1      LEU 134  15.411   0.599   0.599
  987   2HB   LEU 134           HB2      LEU 134  16.968   0.603   0.603
  988    HG   LEU 134           HG       LEU 134  14.413   1.911   1.911
  989   1HD1  LEU 134          HD13      LEU 134  17.167   2.818   2.818
  990   2HD1  LEU 134          HD12      LEU 134  16.126   3.815   3.815
  991   3HD1  LEU 134          HD11      LEU 134  15.609   3.372   3.372
  992   1HD2  LEU 134          HD23      LEU 134  16.828   1.205   1.205
  993   2HD2  LEU 134          HD22      LEU 134  15.126   0.912   0.912
  994   3HD2  LEU 134          HD21      LEU 134  15.770   2.554   2.554
  995    H    HIS 135           HN       HIS 135  15.371  -3.301  -3.301
  996    HA   HIS 135           HA       HIS 135  18.118  -3.984  -3.984
  997   1HB   HIS 135           HB2      HIS 135  18.268  -4.952  -4.952
  998   2HB   HIS 135           HB1      HIS 135  18.479  -3.214  -3.214
  999    HD2  HIS 135           HD2      HIS 135  17.195  -1.937  -1.937
 1000    HE1  HIS 135           HE1      HIS 135  13.939  -4.612  -4.612
 1001    HE2  HIS 135           HE2      HIS 135  14.905  -2.388  -2.388
 1002    H    HIS 136           HN       HIS 136  15.839  -4.852  -4.852
 1003    HA   HIS 136           HA       HIS 136  15.422  -7.565  -7.565
 1004   1HB   HIS 136           HB2      HIS 136  13.555  -5.678  -5.678
 1005   2HB   HIS 136           HB1      HIS 136  13.659  -6.812  -6.812
 1006    HD2  HIS 136           HD2      HIS 136  11.732  -8.627  -8.627
 1007    HE1  HIS 136           HE1      HIS 136  11.858  -8.972  -8.972
 1008    HE2  HIS 136           HE2      HIS 136  10.641  -9.675  -9.675
 1009    H    ARG 137           HN       ARG 137  14.926  -9.178  -9.178
 1010    HA   ARG 137           HA       ARG 137  16.614  -8.682  -8.682
 1011   1HB   ARG 137           HB1      ARG 137  17.121 -10.679 -10.679
 1012   2HB   ARG 137           HB2      ARG 137  17.354 -11.219 -11.219
 1013   1HG   ARG 137           HG1      ARG 137  19.063  -9.679  -9.679
 1014   2HG   ARG 137           HG2      ARG 137  18.615  -8.695  -8.695
 1015   1HD   ARG 137           HD1      ARG 137  20.058 -11.315 -11.315
 1016   2HD   ARG 137           HD2      ARG 137  20.518  -9.816  -9.816
 1017    HE   ARG 137           HE       ARG 137  18.794 -11.885 -11.885
 1018   1HH1  ARG 137          HH11      ARG 137  19.728  -8.536  -8.536
 1019   2HH1  ARG 137          HH12      ARG 137  19.179  -8.357  -8.357
 1020   1HH2  ARG 137          HH21      ARG 137  18.071 -11.660 -11.660
 1021   2HH2  ARG 137          HH22      ARG 137  18.239 -10.133 -10.133
 1022    H    ASP 138           HN       ASP 138  15.628  -9.304  -9.304
 1023    HA   ASP 138           HA       ASP 138  13.138 -10.720 -10.720
 1024   1HB   ASP 138           HB2      ASP 138  13.153  -9.093  -9.093
 1025   2HB   ASP 138           HB1      ASP 138  13.429 -10.570 -10.570
 1026    H    ALA 139           HN       ALA 139  12.647 -12.703 -12.703
 1027    HA   ALA 139           HA       ALA 139  14.322 -14.820 -14.820
 1028   1HB   ALA 139           HB1      ALA 139  11.781 -14.515 -14.515
 1029   2HB   ALA 139           HB3      ALA 139  12.682 -15.396 -15.396
 1030   3HB   ALA 139           HB2      ALA 139  12.579 -16.033 -16.033
 1031    H    SER 140           HN       SER 140  14.443 -12.615 -12.615
 1032    HA   SER 140           HA       SER 140  15.762 -14.145 -14.145
 1033   1HB   SER 140           HB1      SER 140  15.623 -12.234 -12.234
 1034   2HB   SER 140           HB2      SER 140  14.899 -11.500 -11.500
 1035    HG   SER 140           HG       SER 140  16.891 -10.510 -10.510
 1036    H    GLY 141           HN       GLY 141  16.997 -12.170 -12.170
 1037   1HA   GLY 141           HA2      GLY 141  18.972 -13.031 -13.031
 1038   2HA   GLY 141           HA1      GLY 141  19.625 -13.456 -13.456
 1039    H    LEU 142           HN       LEU 142  18.101 -10.467 -10.467
 1040    HA   LEU 142           HA       LEU 142  20.493  -8.998  -8.998
 1041   1HB   LEU 142           HB1      LEU 142  20.248  -7.551  -7.551
 1042   2HB   LEU 142           HB2      LEU 142  20.661  -9.207  -9.207
 1043    HG   LEU 142           HG       LEU 142  17.954  -9.312  -9.312
 1044   1HD1  LEU 142          HD23      LEU 142  17.916  -6.825  -6.825
 1045   2HD1  LEU 142          HD22      LEU 142  18.686  -6.621  -6.621
 1046   3HD1  LEU 142          HD21      LEU 142  17.089  -7.361  -7.361
 1047   1HD2  LEU 142          HD11      LEU 142  19.718 -10.052 -10.052
 1048   2HD2  LEU 142          HD13      LEU 142  18.278  -9.355  -9.355
 1049   3HD2  LEU 142          HD12      LEU 142  19.755  -8.400  -8.400
 1050    H    THR 143           HN       THR 143  20.157  -7.052  -7.052
 1051    HA   THR 143           HA       THR 143  17.392  -6.409  -6.409
 1052    HB   THR 143           HB       THR 143  18.181  -5.574  -5.574
 1053    HG1  THR 143           HG1      THR 143  20.638  -4.777  -4.777
 1054   1HG2  THR 143          HG21      THR 143  19.596  -7.780  -7.780
 1055   2HG2  THR 143          HG23      THR 143  20.886  -6.632  -6.632
 1056   3HG2  THR 143          HG22      THR 143  19.659  -6.988  -6.988
 1057    HA   PRO 144           HA       PRO 144  16.847  -2.417  -2.417
 1058   1HB   PRO 144           HB1      PRO 144  18.022  -1.010  -1.010
 1059   2HB   PRO 144           HB2      PRO 144  16.519  -0.682  -0.682
 1060   1HG   PRO 144           HG2      PRO 144  16.471  -1.927  -1.927
 1061   2HG   PRO 144           HG1      PRO 144  15.385  -2.425  -2.425
 1062   1HD   PRO 144           HD2      PRO 144  17.845  -3.750  -3.750
 1063   2HD   PRO 144           HD1      PRO 144  16.374  -4.471  -4.471
 1064    H    LEU 145           HN       LEU 145  19.779  -1.945  -1.945
 1065    HA   LEU 145           HA       LEU 145  21.132  -0.343  -0.343
 1066   1HB   LEU 145           HB1      LEU 145  22.195  -2.170  -2.170
 1067   2HB   LEU 145           HB2      LEU 145  23.198  -1.052  -1.052
 1068    HG   LEU 145           HG       LEU 145  20.990  -0.396  -0.396
 1069   1HD1  LEU 145          HD12      LEU 145  23.745  -0.729  -0.729
 1070   2HD1  LEU 145          HD11      LEU 145  23.483   1.015   1.015
 1071   3HD1  LEU 145          HD13      LEU 145  22.629  -0.004  -0.004
 1072   1HD2  LEU 145          HD21      LEU 145  21.968   1.137   1.137
 1073   2HD2  LEU 145          HD23      LEU 145  20.523   1.362   1.362
 1074   3HD2  LEU 145          HD22      LEU 145  22.072   2.002   2.002
 1075    H    GLU 146           HN       GLU 146  20.984  -3.841  -3.841
 1076    HA   GLU 146           HA       GLU 146  23.077  -4.500  -4.500
 1077   1HB   GLU 146           HB2      GLU 146  20.547  -6.002  -6.002
 1078   2HB   GLU 146           HB1      GLU 146  21.871  -6.684  -6.684
 1079   1HG   GLU 146           HG1      GLU 146  21.999  -5.723  -5.723
 1080   2HG   GLU 146           HG2      GLU 146  22.016  -7.398  -7.398
 1081    H    LEU 147           HN       LEU 147  19.567  -4.607  -4.607
 1082    HA   LEU 147           HA       LEU 147  19.752  -4.942  -4.942
 1083   1HB   LEU 147           HB2      LEU 147  17.703  -4.537  -4.537
 1084   2HB   LEU 147           HB1      LEU 147  17.588  -3.143  -3.143
 1085    HG   LEU 147           HG       LEU 147  17.481  -6.032  -6.032
 1086   1HD1  LEU 147          HD13      LEU 147  15.470  -4.097  -4.097
 1087   2HD1  LEU 147          HD12      LEU 147  15.181  -4.753  -4.753
 1088   3HD1  LEU 147          HD11      LEU 147  15.338  -5.840  -5.840
 1089   1HD2  LEU 147          HD22      LEU 147  17.828  -3.504  -3.504
 1090   2HD2  LEU 147          HD21      LEU 147  18.341  -5.141  -5.141
 1091   3HD2  LEU 147          HD23      LEU 147  16.664  -4.654  -4.654
 1092    H    ALA 148           HN       ALA 148  19.537  -1.933  -1.933
 1093    HA   ALA 148           HA       ALA 148  19.602  -0.125  -0.125
 1094   1HB   ALA 148           HB3      ALA 148  19.545   0.075   0.075
 1095   2HB   ALA 148           HB2      ALA 148  21.157   0.688   0.688
 1096   3HB   ALA 148           HB1      ALA 148  19.740   1.436   1.436
 1097    H    ARG 149           HN       ARG 149  22.171  -1.956  -1.956
 1098    HA   ARG 149           HA       ARG 149  24.358  -0.574  -0.574
 1099   1HB   ARG 149           HB2      ARG 149  24.536  -2.126  -2.126
 1100   2HB   ARG 149           HB1      ARG 149  24.234  -3.472  -3.472
 1101   1HG   ARG 149           HG2      ARG 149  26.445  -1.659  -1.659
 1102   2HG   ARG 149           HG1      ARG 149  26.683  -2.665  -2.665
 1103   1HD   ARG 149           HD2      ARG 149  27.103  -4.432  -4.432
 1104   2HD   ARG 149           HD1      ARG 149  25.537  -4.260  -4.260
 1105    HE   ARG 149           HE       ARG 149  27.631  -2.511  -2.511
 1106   1HH1  ARG 149          HH21      ARG 149  25.938  -5.530  -5.530
 1107   2HH1  ARG 149          HH22      ARG 149  26.385  -5.731  -5.731
 1108   1HH2  ARG 149          HH11      ARG 149  28.230  -2.764  -2.764
 1109   2HH2  ARG 149          HH12      ARG 149  27.691  -4.159  -4.159
 1110    H    GLN 150           HN       GLN 150  22.496  -3.430  -3.430
 1111    HA   GLN 150           HA       GLN 150  23.920  -3.990  -3.990
 1112   1HB   GLN 150           HB2      GLN 150  22.687  -5.794  -5.794
 1113   2HB   GLN 150           HB1      GLN 150  21.260  -4.808  -4.808
 1114   1HG   GLN 150           HG1      GLN 150  20.470  -5.790  -5.790
 1115   2HG   GLN 150           HG2      GLN 150  21.504  -4.666  -4.666
 1116   1HE2  GLN 150          HE22      GLN 150  22.325  -8.632  -8.632
 1117   2HE2  GLN 150          HE21      GLN 150  21.079  -7.933  -7.933
 1118    H    ARG 151           HN       ARG 151  20.472  -3.324  -3.324
 1119    HA   ARG 151           HA       ARG 151  20.747  -1.746  -1.746
 1120   1HB   ARG 151           HB1      ARG 151  18.787  -3.315  -3.315
 1121   2HB   ARG 151           HB2      ARG 151  18.234  -1.910  -1.910
 1122   1HG   ARG 151           HG2      ARG 151  17.676  -0.752  -0.752
 1123   2HG   ARG 151           HG1      ARG 151  18.910  -1.541  -1.541
 1124   1HD   ARG 151           HD2      ARG 151  16.605  -3.124  -3.124
 1125   2HD   ARG 151           HD1      ARG 151  16.391  -2.099  -2.099
 1126    HE   ARG 151           HE       ARG 151  18.607  -3.544  -3.544
 1127   1HH1  ARG 151          HH11      ARG 151  15.387  -4.376  -4.376
 1128   2HH1  ARG 151          HH12      ARG 151  15.379  -5.902  -5.902
 1129   1HH2  ARG 151          HH21      ARG 151  18.610  -5.551  -5.551
 1130   2HH2  ARG 151          HH22      ARG 151  17.212  -6.570  -6.570
 1131    H    GLY 152           HN       GLY 152  22.299  -0.423  -0.423
 1132   1HA   GLY 152           HA1      GLY 152  21.053   1.453   1.453
 1133   2HA   GLY 152           HA2      GLY 152  22.715   1.500   1.500
 1134    H    ALA 153           HN       ALA 153  19.657   1.656   1.656
 1135    HA   ALA 153           HA       ALA 153  20.331   3.450   3.450
 1136   1HB   ALA 153           HB1      ALA 153  18.011   2.369   2.369
 1137   2HB   ALA 153           HB3      ALA 153  17.735   3.942   3.942
 1138   3HB   ALA 153           HB2      ALA 153  18.087   3.835   3.835
 1139    H    GLN 154           HN       GLN 154  20.836   5.608   5.608
 1140    HA   GLN 154           HA       GLN 154  21.768   7.541   7.541
 1141   1HB   GLN 154           HB2      GLN 154  19.382   8.185   8.185
 1142   2HB   GLN 154           HB1      GLN 154  20.069   9.013   9.013
 1143   1HG   GLN 154           HG2      GLN 154  18.203   8.365   8.365
 1144   2HG   GLN 154           HG1      GLN 154  19.016   6.809   6.809
 1145   1HE2  GLN 154          HE22      GLN 154  17.160   5.950   5.950
 1146   2HE2  GLN 154          HE21      GLN 154  18.789   6.463   6.463
 1147    H    ASN 155           HN       ASN 155  20.846   8.821   8.821
 1148    HA   ASN 155           HA       ASN 155  22.691   7.534   7.534
 1149   1HB   ASN 155           HB2      ASN 155  21.786   9.310   9.310
 1150   2HB   ASN 155           HB1      ASN 155  22.644   9.876   9.876
 1151   1HD2  ASN 155          HD22      ASN 155  19.330  11.628  11.628
 1152   2HD2  ASN 155          HD21      ASN 155  20.573  11.122  11.122
 1153    H    LEU 156           HN       LEU 156  20.895   5.593   5.593
 1154    HA   LEU 156           HA       LEU 156  18.654   5.476   5.476
 1155   1HB   LEU 156           HB1      LEU 156  20.040   3.703   3.703
 1156   2HB   LEU 156           HB2      LEU 156  19.403   2.850   2.850
 1157    HG   LEU 156           HG       LEU 156  17.910   4.378   4.378
 1158   1HD1  LEU 156          HD12      LEU 156  17.642   1.612   1.612
 1159   2HD1  LEU 156          HD11      LEU 156  16.588   2.301   2.301
 1160   3HD1  LEU 156          HD13      LEU 156  18.294   2.026   2.026
 1161   1HD2  LEU 156          HD23      LEU 156  17.215   4.059   4.059
 1162   2HD2  LEU 156          HD22      LEU 156  16.647   5.234   5.234
 1163   3HD2  LEU 156          HD21      LEU 156  15.951   3.615   3.615
 1164    H    MET 157           HN       MET 157  21.545   3.407   3.407
 1165    HA   MET 157           HA       MET 157  21.120   2.528   2.528
 1166   1HB   MET 157           HB1      MET 157  23.207   1.587   1.587
 1167   2HB   MET 157           HB2      MET 157  22.901   1.903   1.903
 1168   1HG   MET 157           HG2      MET 157  24.277   3.833   3.833
 1169   2HG   MET 157           HG1      MET 157  24.418   3.789   3.789
 1170   1HE   MET 157           HE1      MET 157  25.570   1.839   1.839
 1171   2HE   MET 157           HE3      MET 157  24.854   0.519   0.519
 1172   3HE   MET 157           HE2      MET 157  26.604   0.609   0.609
 1173    H    ASP 158           HN       ASP 158  22.114   5.620   5.620
 1174    HA   ASP 158           HA       ASP 158  23.447   6.424   6.424
 1175   1HB   ASP 158           HB1      ASP 158  23.515   7.443   7.443
 1176   2HB   ASP 158           HB2      ASP 158  22.175   8.412   8.412
 1177    H    ILE 159           HN       ILE 159  20.217   7.139   7.139
 1178    HA   ILE 159           HA       ILE 159  19.292   8.662   8.662
 1179    HB   ILE 159           HB       ILE 159  17.521   6.805   6.805
 1180   1HG1  ILE 159          HG12      ILE 159  17.782   9.490   9.490
 1181   2HG1  ILE 159          HG11      ILE 159  19.301   8.604   8.604
 1182   1HG2  ILE 159          HG23      ILE 159  17.205   9.327   9.327
 1183   2HG2  ILE 159          HG22      ILE 159  16.104   8.986   8.986
 1184   3HG2  ILE 159          HG21      ILE 159  16.224   7.865   7.865
 1185   1HD1  ILE 159          HD11      ILE 159  17.862   6.708   6.708
 1186   2HD1  ILE 159          HD13      ILE 159  16.695   7.993   7.993
 1187   3HD1  ILE 159          HD12      ILE 159  18.310   8.087   8.087
 1188    H    LEU 160           HN       LEU 160  19.522   5.196   5.196
 1189    HA   LEU 160           HA       LEU 160  17.858   4.530   4.530
 1190   1HB   LEU 160           HB2      LEU 160  19.961   2.669   2.669
 1191   2HB   LEU 160           HB1      LEU 160  18.319   2.327   2.327
 1192    HG   LEU 160           HG       LEU 160  19.331   3.233   3.233
 1193   1HD1  LEU 160          HD13      LEU 160  18.638   0.844   0.844
 1194   2HD1  LEU 160          HD12      LEU 160  16.996   1.450   1.450
 1195   3HD1  LEU 160          HD11      LEU 160  18.127   1.448   1.448
 1196   1HD2  LEU 160          HD21      LEU 160  16.844   4.165   4.165
 1197   2HD2  LEU 160          HD23      LEU 160  17.844   4.922   4.922
 1198   3HD2  LEU 160          HD22      LEU 160  16.730   3.622   3.622
 1199    H    GLN 161           HN       GLN 161  21.333   4.886   4.886
 1200    HA   GLN 161           HA       GLN 161  22.117   3.973   3.973
 1201   1HB   GLN 161           HB2      GLN 161  23.367   5.212   5.212
 1202   2HB   GLN 161           HB1      GLN 161  24.030   5.824   5.824
 1203   1HG   GLN 161           HG2      GLN 161  24.366   3.439   3.439
 1204   2HG   GLN 161           HG1      GLN 161  23.940   2.975   2.975
 1205   1HE2  GLN 161          HE22      GLN 161  27.275   3.162   3.162
 1206   2HE2  GLN 161          HE21      GLN 161  25.808   2.253   2.253
 1207    H    GLY 162           HN       GLY 162  20.839   6.985   6.985
 1208   1HA   GLY 162           HA2      GLY 162  21.760   8.594   8.594
 1209   2HA   GLY 162           HA1      GLY 162  20.490   9.016   9.016
 1210    H    HIS 163           HN       HIS 163  18.546   7.262   7.262
 1211    HA   HIS 163           HA       HIS 163  17.436   8.009   8.009
 1212   1HB   HIS 163           HB1      HIS 163  16.491   6.148   6.148
 1213   2HB   HIS 163           HB2      HIS 163  15.557   6.456   6.456
 1214    HD2  HIS 163           HD2      HIS 163  17.027   8.624   8.624
 1215    HE1  HIS 163           HE1      HIS 163  13.432  10.333  10.333
 1216    HE2  HIS 163           HE2      HIS 163  15.186  10.409  10.409
 1217    H    MET 164           HN       MET 164  19.491   5.513   5.513
 1218    HA   MET 164           HA       MET 164  18.567   3.516   3.516
 1219   1HB   MET 164           HB2      MET 164  20.658   3.756   3.756
 1220   2HB   MET 164           HB1      MET 164  21.173   2.853   2.853
 1221   1HG   MET 164           HG1      MET 164  18.601   2.235   2.235
 1222   2HG   MET 164           HG2      MET 164  20.139   1.562   1.562
 1223   1HE   MET 164           HE1      MET 164  21.822   0.916   0.916
 1224   2HE   MET 164           HE3      MET 164  21.334  -0.389  -0.389
 1225   3HE   MET 164           HE2      MET 164  21.332  -0.642  -0.642
 1226    H    MET 165           HN       MET 165  18.816   3.654   3.654
 1227    HA   MET 165           HA       MET 165  19.538   4.454   4.454
 1228   1HB   MET 165           HB2      MET 165  21.179   2.531   2.531
 1229   2HB   MET 165           HB1      MET 165  22.339   3.821   3.821
 1230   1HG   MET 165           HG1      MET 165  20.728   3.709   3.709
 1231   2HG   MET 165           HG2      MET 165  21.088   2.037   2.037
 1232   1HE   MET 165           HE1      MET 165  22.137   1.323   1.323
 1233   2HE   MET 165           HE3      MET 165  23.850   1.112   1.112
 1234   3HE   MET 165           HE2      MET 165  23.349   2.121   2.121
 1235    H    ILE 166           HN       ILE 166  22.209   5.363   5.363
 1236    HA   ILE 166           HA       ILE 166  23.078   7.451   7.451
 1237    HB   ILE 166           HB       ILE 166  24.148   8.458   8.458
 1238   1HG1  ILE 166          HG12      ILE 166  22.844   6.273   6.273
 1239   2HG1  ILE 166          HG11      ILE 166  22.187   7.905   7.905
 1240   1HG2  ILE 166          HG22      ILE 166  24.843   6.218   6.218
 1241   2HG2  ILE 166          HG21      ILE 166  24.541   5.539   5.539
 1242   3HG2  ILE 166          HG23      ILE 166  25.731   6.827   6.827
 1243   1HD1  ILE 166          HD12      ILE 166  25.022   7.440   7.440
 1244   2HD1  ILE 166          HD11      ILE 166  23.697   7.287   7.287
 1245   3HD1  ILE 166          HD13      ILE 166  23.976   8.821   8.821
 1246    HA   PRO 167           HA       PRO 167  18.980   9.573   9.573
 1247   1HB   PRO 167           HB1      PRO 167  19.071  10.032  10.032
 1248   2HB   PRO 167           HB2      PRO 167  17.706   9.581   9.581
 1249   1HG   PRO 167           HG1      PRO 167  18.856   7.792   7.792
 1250   2HG   PRO 167           HG2      PRO 167  18.287   7.335   7.335
 1251   1HD   PRO 167           HD1      PRO 167  21.072   7.858   7.858
 1252   2HD   PRO 167           HD2      PRO 167  20.482   6.637   6.637
 1253    H    MET 168           HN       MET 168  20.560  11.016  11.016
 1254    HA   MET 168           HA       MET 168  20.904  13.448  13.448
 1255   1HB   MET 168           HB1      MET 168  23.137  12.307  12.307
 1256   2HB   MET 168           HB2      MET 168  23.195  13.758  13.758
 1257   1HG   MET 168           HG2      MET 168  22.587  11.132  11.132
 1258   2HG   MET 168           HG1      MET 168  24.249  11.541  11.541
 1259   1HE   MET 168           HE1      MET 168  23.616  10.820  10.820
 1260   2HE   MET 168           HE3      MET 168  25.196  11.506  11.506
 1261   3HE   MET 168           HE2      MET 168  24.263  12.140  12.140

  Start of MODEL    3
    1   1H    GLY   1           HT1      GLY   1 -36.775 -17.190 -17.190
    2   2H    GLY   1           HT3      GLY   1 -35.812 -16.987 -16.987
    3   3H    GLY   1           HT2      GLY   1 -37.485 -16.758 -16.758
    4   1HA   GLY   1           HA2      GLY   1 -37.442 -14.725 -14.725
    5   2HA   GLY   1           HA1      GLY   1 -35.901 -14.719 -14.719
    6    H    SER   2           HN       SER   2 -34.006 -14.757 -14.757
    7    HA   SER   2           HA       SER   2 -32.752 -14.012 -14.012
    8   1HB   SER   2           HB2      SER   2 -33.779 -16.096 -16.096
    9   2HB   SER   2           HB1      SER   2 -32.158 -15.876 -15.876
   10    HG   SER   2           HG       SER   2 -32.715 -17.596 -17.596
   11    H    MET   3           HN       MET   3 -33.974 -12.057 -12.057
   12    HA   MET   3           HA       MET   3 -35.941 -12.110 -12.110
   13   1HB   MET   3           HB2      MET   3 -36.119 -10.711 -10.711
   14   2HB   MET   3           HB1      MET   3 -34.942  -9.643  -9.643
   15   1HG   MET   3           HG2      MET   3 -37.019 -10.169 -10.169
   16   2HG   MET   3           HG1      MET   3 -37.745  -9.696  -9.696
   17   1HE   MET   3           HE2      MET   3 -38.210  -8.407  -8.407
   18   2HE   MET   3           HE1      MET   3 -38.590  -7.002  -7.002
   19   3HE   MET   3           HE3      MET   3 -37.445  -6.854  -6.854
   20    H    LEU   4           HN       LEU   4 -32.656 -11.065 -11.065
   21    HA   LEU   4           HA       LEU   4 -32.413 -10.343 -10.343
   22   1HB   LEU   4           HB1      LEU   4 -31.839  -8.772  -8.772
   23   2HB   LEU   4           HB2      LEU   4 -30.363  -9.043  -9.043
   24    HG   LEU   4           HG       LEU   4 -32.569  -8.259  -8.259
   25   1HD1  LEU   4          HD13      LEU   4 -33.039  -7.094  -7.094
   26   2HD1  LEU   4          HD12      LEU   4 -31.645  -6.097  -6.097
   27   3HD1  LEU   4          HD11      LEU   4 -33.052  -6.139  -6.139
   28   1HD2  LEU   4          HD22      LEU   4 -29.738  -7.474  -7.474
   29   2HD2  LEU   4          HD21      LEU   4 -30.486  -8.091  -8.091
   30   3HD2  LEU   4          HD23      LEU   4 -30.774  -6.426  -6.426
   31    H    LEU   5           HN       LEU   5 -30.969 -11.486 -11.486
   32    HA   LEU   5           HA       LEU   5 -28.836 -12.866 -12.866
   33   1HB   LEU   5           HB2      LEU   5 -30.949 -14.021 -14.021
   34   2HB   LEU   5           HB1      LEU   5 -29.494 -14.246 -14.246
   35    HG   LEU   5           HG       LEU   5 -29.742 -16.184 -16.184
   36   1HD1  LEU   5          HD22      LEU   5 -27.611 -14.270 -14.270
   37   2HD1  LEU   5          HD21      LEU   5 -27.787 -15.725 -15.725
   38   3HD1  LEU   5          HD23      LEU   5 -27.494 -15.861 -15.861
   39   1HD2  LEU   5          HD11      LEU   5 -30.900 -14.381 -14.381
   40   2HD2  LEU   5          HD13      LEU   5 -30.846 -16.142 -16.142
   41   3HD2  LEU   5          HD12      LEU   5 -29.555 -15.191 -15.191
   42    H    GLU   6           HN       GLU   6 -27.765 -10.770 -10.770
   43    HA   GLU   6           HA       GLU   6 -26.223 -11.244 -11.244
   44   1HB   GLU   6           HB2      GLU   6 -28.316  -9.728  -9.728
   45   2HB   GLU   6           HB1      GLU   6 -27.345  -8.487  -8.487
   46   1HG   GLU   6           HG1      GLU   6 -25.931  -9.999  -9.999
   47   2HG   GLU   6           HG2      GLU   6 -27.308  -9.066  -9.066
   48    H    GLU   7           HN       GLU   7 -24.240 -10.091 -10.091
   49    HA   GLU   7           HA       GLU   7 -23.555  -8.489  -8.489
   50   1HB   GLU   7           HB1      GLU   7 -22.122 -11.040 -11.040
   51   2HB   GLU   7           HB2      GLU   7 -21.478  -9.847  -9.847
   52   1HG   GLU   7           HG2      GLU   7 -23.641 -10.184 -10.184
   53   2HG   GLU   7           HG1      GLU   7 -23.864 -11.628 -11.628
   54    H    VAL   8           HN       VAL   8 -23.823  -8.253  -8.253
   55    HA   VAL   8           HA       VAL   8 -21.158  -7.094  -7.094
   56    HB   VAL   8           HB       VAL   8 -22.936  -8.524  -8.524
   57   1HG1  VAL   8          HG12      VAL   8 -20.946  -6.421  -6.421
   58   2HG1  VAL   8          HG11      VAL   8 -20.669  -7.874  -7.874
   59   3HG1  VAL   8          HG13      VAL   8 -22.208  -7.020  -7.020
   60   1HG2  VAL   8          HG22      VAL   8 -20.909  -9.458  -9.458
   61   2HG2  VAL   8          HG21      VAL   8 -21.541 -10.253 -10.253
   62   3HG2  VAL   8          HG23      VAL   8 -20.118  -9.215  -9.215
   63    H    CYS   9           HN       CYS   9 -23.816  -6.885  -6.885
   64    HA   CYS   9           HA       CYS   9 -24.853  -5.071  -5.071
   65   1HB   CYS   9           HB2      CYS   9 -25.120  -4.506  -4.506
   66   2HB   CYS   9           HB1      CYS   9 -25.945  -3.562  -3.562
   67    HG   CYS   9           HG       CYS   9 -27.707  -5.242  -5.242
   68    H    VAL  10           HN       VAL  10 -23.670  -3.244  -3.244
   69    HA   VAL  10           HA       VAL  10 -22.639  -1.180  -1.180
   70    HB   VAL  10           HB       VAL  10 -22.533   0.097   0.097
   71   1HG1  VAL  10          HG13      VAL  10 -24.661  -1.217  -1.217
   72   2HG1  VAL  10          HG12      VAL  10 -23.851  -2.226  -2.226
   73   3HG1  VAL  10          HG11      VAL  10 -24.088  -0.506  -0.506
   74   1HG2  VAL  10          HG23      VAL  10 -21.304  -2.240  -2.240
   75   2HG2  VAL  10          HG22      VAL  10 -20.490  -0.789  -0.789
   76   3HG2  VAL  10          HG21      VAL  10 -21.639  -0.678  -0.678
   77    H    GLY  11           HN       GLY  11 -21.313  -3.943  -3.943
   78   1HA   GLY  11           HA2      GLY  11 -18.669  -3.476  -3.476
   79   2HA   GLY  11           HA1      GLY  11 -19.297  -4.998  -4.998
   80    H    ASP  12           HN       ASP  12 -20.390  -3.600  -3.600
   81    HA   ASP  12           HA       ASP  12 -17.840  -3.406  -3.406
   82   1HB   ASP  12           HB1      ASP  12 -19.536  -5.231  -5.231
   83   2HB   ASP  12           HB2      ASP  12 -20.535  -3.937  -3.937
   84    H    ARG  13           HN       ARG  13 -19.062  -1.207  -1.207
   85    HA   ARG  13           HA       ARG  13 -19.686   0.590   0.590
   86   1HB   ARG  13           HB2      ARG  13 -21.581   0.338   0.338
   87   2HB   ARG  13           HB1      ARG  13 -20.561   0.808   0.808
   88   1HG   ARG  13           HG1      ARG  13 -20.685   3.000   3.000
   89   2HG   ARG  13           HG2      ARG  13 -20.669   2.720   2.720
   90   1HD   ARG  13           HD2      ARG  13 -23.013   2.378   2.378
   91   2HD   ARG  13           HD1      ARG  13 -22.802   3.644   3.644
   92    HE   ARG  13           HE       ARG  13 -22.660   1.185   1.185
   93   1HH1  ARG  13          HH21      ARG  13 -24.980   3.100   3.100
   94   2HH1  ARG  13          HH22      ARG  13 -26.345   2.470   2.470
   95   1HH2  ARG  13          HH11      ARG  13 -24.452   0.347   0.347
   96   2HH2  ARG  13          HH12      ARG  13 -26.045   0.904   0.904
   97    H    LEU  14           HN       LEU  14 -18.414   0.732   0.732
   98    HA   LEU  14           HA       LEU  14 -16.905   3.094   3.094
   99   1HB   LEU  14           HB1      LEU  14 -17.628   2.659   2.659
  100   2HB   LEU  14           HB2      LEU  14 -16.877   1.074   1.074
  101    HG   LEU  14           HG       LEU  14 -14.655   2.401   2.401
  102   1HD1  LEU  14          HD21      LEU  14 -16.624   4.519   4.519
  103   2HD1  LEU  14          HD23      LEU  14 -15.055   4.595   4.595
  104   3HD1  LEU  14          HD22      LEU  14 -15.146   4.594   4.594
  105   1HD2  LEU  14          HD12      LEU  14 -16.250   2.259   2.259
  106   2HD2  LEU  14          HD11      LEU  14 -15.039   1.120   1.120
  107   3HD2  LEU  14          HD13      LEU  14 -14.549   2.727   2.727
  108    H    SER  15           HN       SER  15 -16.309  -0.279  -0.279
  109    HA   SER  15           HA       SER  15 -13.490  -0.268  -0.268
  110   1HB   SER  15           HB1      SER  15 -13.884  -2.306  -2.306
  111   2HB   SER  15           HB2      SER  15 -14.322  -2.421  -2.421
  112    HG   SER  15           HG       SER  15 -16.422  -2.215  -2.215
  113    H    GLY  16           HN       GLY  16 -15.758   0.049   0.049
  114   1HA   GLY  16           HA2      GLY  16 -13.691   0.419   0.419
  115   2HA   GLY  16           HA1      GLY  16 -15.407   0.706   0.706
  116    H    ALA  17           HN       ALA  17 -15.705   2.596   2.596
  117    HA   ALA  17           HA       ALA  17 -15.116   4.975   4.975
  118   1HB   ALA  17           HB3      ALA  17 -16.896   4.570   4.570
  119   2HB   ALA  17           HB2      ALA  17 -15.614   4.825   4.825
  120   3HB   ALA  17           HB1      ALA  17 -16.044   6.113   6.113
  121    H    ALA  18           HN       ALA  18 -13.679   3.728   3.728
  122    HA   ALA  18           HA       ALA  18 -11.693   5.660   5.660
  123   1HB   ALA  18           HB2      ALA  18 -12.325   3.107   3.107
  124   2HB   ALA  18           HB1      ALA  18 -10.582   3.309   3.309
  125   3HB   ALA  18           HB3      ALA  18 -11.521   4.507   4.507
  126    H    ALA  19           HN       ALA  19 -11.597   2.543   2.543
  127    HA   ALA  19           HA       ALA  19  -8.871   2.806   2.806
  128   1HB   ALA  19           HB3      ALA  19 -10.179   0.650   0.650
  129   2HB   ALA  19           HB2      ALA  19 -10.917   1.027   1.027
  130   3HB   ALA  19           HB1      ALA  19  -9.173   0.790   0.790
  131    H    ARG  20           HN       ARG  20 -11.882   3.943   3.943
  132    HA   ARG  20           HA       ARG  20 -11.060   4.287   4.287
  133   1HB   ARG  20           HB1      ARG  20 -13.416   4.905   4.905
  134   2HB   ARG  20           HB2      ARG  20 -13.081   6.116   6.116
  135   1HG   ARG  20           HG2      ARG  20 -12.969   4.218   4.218
  136   2HG   ARG  20           HG1      ARG  20 -13.624   3.187   3.187
  137   1HD   ARG  20           HD1      ARG  20 -15.555   3.820   3.820
  138   2HD   ARG  20           HD2      ARG  20 -15.430   5.083   5.083
  139    HE   ARG  20           HE       ARG  20 -14.116   6.093   6.093
  140   1HH1  ARG  20          HH11      ARG  20 -17.309   4.839   4.839
  141   2HH1  ARG  20          HH12      ARG  20 -18.065   5.836   5.836
  142   1HH2  ARG  20          HH21      ARG  20 -15.099   7.413   7.413
  143   2HH2  ARG  20          HH22      ARG  20 -16.809   7.301   7.301
  144    H    GLY  21           HN       GLY  21 -10.743   6.139   6.139
  145   1HA   GLY  21           HA1      GLY  21  -9.246   7.894   7.894
  146   2HA   GLY  21           HA2      GLY  21  -9.012   8.017   8.017
  147    H    ASP  22           HN       ASP  22 -11.662   8.438   8.438
  148    HA   ASP  22           HA       ASP  22 -12.234  11.031  11.031
  149   1HB   ASP  22           HB2      ASP  22 -14.656   9.858   9.858
  150   2HB   ASP  22           HB1      ASP  22 -13.889   8.737   8.737
  151    H    VAL  23           HN       VAL  23 -11.090  11.975  11.975
  152    HA   VAL  23           HA       VAL  23 -11.504  11.528  11.528
  153    HB   VAL  23           HB       VAL  23  -9.720  12.973  12.973
  154   1HG1  VAL  23          HG12      VAL  23 -11.168  13.976  13.976
  155   2HG1  VAL  23          HG11      VAL  23 -11.707  15.127  15.127
  156   3HG1  VAL  23          HG13      VAL  23  -9.999  15.032  15.032
  157   1HG2  VAL  23          HG21      VAL  23 -11.358  13.470  13.470
  158   2HG2  VAL  23          HG23      VAL  23  -9.718  14.071  14.071
  159   3HG2  VAL  23          HG22      VAL  23 -11.100  15.058  15.058
  160    H    GLN  24           HN       GLN  24 -13.599  12.977  12.977
  161    HA   GLN  24           HA       GLN  24 -15.183  14.492  14.492
  162   1HB   GLN  24           HB2      GLN  24 -15.829  13.482  13.482
  163   2HB   GLN  24           HB1      GLN  24 -16.787  14.648  14.648
  164   1HG   GLN  24           HG1      GLN  24 -15.006  16.249  16.249
  165   2HG   GLN  24           HG2      GLN  24 -13.915  15.069  15.069
  166   1HE2  GLN  24          HE22      GLN  24 -16.683  17.025  17.025
  167   2HE2  GLN  24          HE21      GLN  24 -16.749  17.048  17.048
  168    H    GLU  25           HN       GLU  25 -15.605  11.356  11.356
  169    HA   GLU  25           HA       GLU  25 -18.048  10.760  10.760
  170   1HB   GLU  25           HB1      GLU  25 -16.228   8.752   8.752
  171   2HB   GLU  25           HB2      GLU  25 -17.969   8.653   8.653
  172   1HG   GLU  25           HG1      GLU  25 -17.601   9.135   9.135
  173   2HG   GLU  25           HG2      GLU  25 -18.179  10.626  10.626
  174    H    VAL  26           HN       VAL  26 -14.665   9.824   9.824
  175    HA   VAL  26           HA       VAL  26 -14.934   7.889   7.889
  176    HB   VAL  26           HB       VAL  26 -12.794   8.741   8.741
  177   1HG1  VAL  26          HG12      VAL  26 -12.857  10.587  10.587
  178   2HG1  VAL  26          HG11      VAL  26 -11.462  10.319  10.319
  179   3HG1  VAL  26          HG13      VAL  26 -12.924  11.060  11.060
  180   1HG2  VAL  26          HG23      VAL  26 -13.114   7.019   7.019
  181   2HG2  VAL  26          HG22      VAL  26 -11.500   7.599   7.599
  182   3HG2  VAL  26          HG21      VAL  26 -12.354   8.272   8.272
  183    H    ARG  27           HN       ARG  27 -14.937  11.401  11.401
  184    HA   ARG  27           HA       ARG  27 -15.000  11.393  11.393
  185   1HB   ARG  27           HB2      ARG  27 -15.457  13.471  13.471
  186   2HB   ARG  27           HB1      ARG  27 -15.819  13.823  13.823
  187   1HG   ARG  27           HG2      ARG  27 -13.497  13.289  13.289
  188   2HG   ARG  27           HG1      ARG  27 -13.146  12.992  12.992
  189   1HD   ARG  27           HD1      ARG  27 -12.818  15.159  15.159
  190   2HD   ARG  27           HD2      ARG  27 -14.423  15.535  15.535
  191    HE   ARG  27           HE       ARG  27 -12.930  15.157  15.157
  192   1HH1  ARG  27          HH21      ARG  27 -12.603  17.161  17.161
  193   2HH1  ARG  27          HH22      ARG  27 -11.757  18.423  18.423
  194   1HH2  ARG  27          HH11      ARG  27 -11.815  16.810  16.810
  195   2HH2  ARG  27          HH12      ARG  27 -11.307  18.223  18.223
  196    H    ARG  28           HN       ARG  28 -17.489  12.355  12.355
  197    HA   ARG  28           HA       ARG  28 -19.592  12.474  12.474
  198   1HB   ARG  28           HB2      ARG  28 -19.728  11.974  11.974
  199   2HB   ARG  28           HB1      ARG  28 -21.077  12.464  12.464
  200   1HG   ARG  28           HG2      ARG  28 -19.119  14.361  14.361
  201   2HG   ARG  28           HG1      ARG  28 -19.014  14.065  14.065
  202   1HD   ARG  28           HD2      ARG  28 -21.566  14.692  14.692
  203   2HD   ARG  28           HD1      ARG  28 -20.594  15.882  15.882
  204    HE   ARG  28           HE       ARG  28 -22.411  13.997  13.997
  205   1HH1  ARG  28          HH21      ARG  28 -19.481  15.783  15.783
  206   2HH1  ARG  28          HH22      ARG  28 -19.656  15.765  15.765
  207   1HH2  ARG  28          HH11      ARG  28 -22.653  13.966  13.966
  208   2HH2  ARG  28          HH12      ARG  28 -21.460  14.732  14.732
  209    H    LEU  29           HN       LEU  29 -18.161   9.796   9.796
  210    HA   LEU  29           HA       LEU  29 -20.249   7.959   7.959
  211   1HB   LEU  29           HB2      LEU  29 -17.297   7.802   7.802
  212   2HB   LEU  29           HB1      LEU  29 -18.137   6.351   6.351
  213    HG   LEU  29           HG       LEU  29 -18.675   7.782   7.782
  214   1HD1  LEU  29          HD13      LEU  29 -16.730   5.662   5.662
  215   2HD1  LEU  29          HD12      LEU  29 -17.542   5.545   5.545
  216   3HD1  LEU  29          HD11      LEU  29 -16.583   6.972   6.972
  217   1HD2  LEU  29          HD22      LEU  29 -19.830   5.440   5.440
  218   2HD2  LEU  29          HD21      LEU  29 -20.566   6.568   6.568
  219   3HD2  LEU  29          HD23      LEU  29 -19.531   5.267   5.267
  220    H    LEU  30           HN       LEU  30 -17.578   8.030   8.030
  221    HA   LEU  30           HA       LEU  30 -19.035   6.457   6.457
  222   1HB   LEU  30           HB2      LEU  30 -16.627   8.087   8.087
  223   2HB   LEU  30           HB1      LEU  30 -17.126   6.527   6.527
  224    HG   LEU  30           HG       LEU  30 -16.499   6.548   6.548
  225   1HD1  LEU  30          HD13      LEU  30 -14.832   8.149   8.149
  226   2HD1  LEU  30          HD12      LEU  30 -14.228   6.775   6.775
  227   3HD1  LEU  30          HD11      LEU  30 -14.158   6.750   6.750
  228   1HD2  LEU  30          HD22      LEU  30 -16.923   4.638   4.638
  229   2HD2  LEU  30          HD21      LEU  30 -15.930   4.397   4.397
  230   3HD2  LEU  30          HD23      LEU  30 -15.169   4.761   4.761
  231    H    HIS  31           HN       HIS  31 -18.050   9.878   9.878
  232    HA   HIS  31           HA       HIS  31 -19.287  10.529  10.529
  233   1HB   HIS  31           HB2      HIS  31 -17.823  11.922  11.922
  234   2HB   HIS  31           HB1      HIS  31 -19.143  12.899  12.899
  235    HD2  HIS  31           HD2      HIS  31 -15.612  12.668  12.668
  236    HE1  HIS  31           HE1      HIS  31 -17.300  13.023  13.023
  237    HE2  HIS  31           HE2      HIS  31 -15.144  13.001  13.001
  238    H    ARG  32           HN       ARG  32 -20.654   9.865   9.865
  239    HA   ARG  32           HA       ARG  32 -23.178  11.060  11.060
  240   1HB   ARG  32           HB1      ARG  32 -21.676  12.070  12.070
  241   2HB   ARG  32           HB2      ARG  32 -22.973  11.149  11.149
  242   1HG   ARG  32           HG1      ARG  32 -23.690  13.411  13.411
  243   2HG   ARG  32           HG2      ARG  32 -24.598  12.422  12.422
  244   1HD   ARG  32           HD2      ARG  32 -22.483  13.139  13.139
  245   2HD   ARG  32           HD1      ARG  32 -22.625  14.554  14.554
  246    HE   ARG  32           HE       ARG  32 -24.443  13.737  13.737
  247   1HH1  ARG  32          HH21      ARG  32 -24.071  15.568  15.568
  248   2HH1  ARG  32          HH22      ARG  32 -25.410  16.616  16.616
  249   1HH2  ARG  32          HH11      ARG  32 -26.212  15.108  15.108
  250   2HH2  ARG  32          HH12      ARG  32 -26.625  16.356  16.356
  251    H    GLU  33           HN       GLU  33 -22.013   9.198   9.198
  252    HA   GLU  33           HA       GLU  33 -24.307   7.684   7.684
  253   1HB   GLU  33           HB1      GLU  33 -22.130   7.899   7.899
  254   2HB   GLU  33           HB2      GLU  33 -21.621   6.477   6.477
  255   1HG   GLU  33           HG2      GLU  33 -24.315   6.248   6.248
  256   2HG   GLU  33           HG1      GLU  33 -23.079   6.479   6.479
  257    H    LEU  34           HN       LEU  34 -21.970   7.474   7.474
  258    HA   LEU  34           HA       LEU  34 -21.646   6.045   6.045
  259   1HB   LEU  34           HB2      LEU  34 -24.437   5.050   5.050
  260   2HB   LEU  34           HB1      LEU  34 -23.578   5.108   5.108
  261    HG   LEU  34           HG       LEU  34 -24.947   7.313   7.313
  262   1HD1  LEU  34          HD12      LEU  34 -25.383   5.819   5.819
  263   2HD1  LEU  34          HD11      LEU  34 -25.050   7.484   7.484
  264   3HD1  LEU  34          HD13      LEU  34 -26.354   7.133   7.133
  265   1HD2  LEU  34          HD22      LEU  34 -22.731   7.690   7.690
  266   2HD2  LEU  34          HD21      LEU  34 -22.697   8.159   8.159
  267   3HD2  LEU  34          HD23      LEU  34 -23.807   8.958   8.958
  268    H    VAL  35           HN       VAL  35 -20.296   5.010   5.010
  269    HA   VAL  35           HA       VAL  35 -21.209   2.247   2.247
  270    HB   VAL  35           HB       VAL  35 -20.652   3.574   3.574
  271   1HG1  VAL  35          HG13      VAL  35 -18.784   4.835   4.835
  272   2HG1  VAL  35          HG12      VAL  35 -17.785   3.406   3.406
  273   3HG1  VAL  35          HG11      VAL  35 -18.455   4.286   4.286
  274   1HG2  VAL  35          HG21      VAL  35 -20.142   0.971   0.971
  275   2HG2  VAL  35          HG23      VAL  35 -19.927   1.727   1.727
  276   3HG2  VAL  35          HG22      VAL  35 -18.544   1.521   1.521
  277    H    HIS  36           HN       HIS  36 -20.192   0.606   0.606
  278    HA   HIS  36           HA       HIS  36 -18.334   0.962   0.962
  279   1HB   HIS  36           HB1      HIS  36 -19.857  -1.122  -1.122
  280   2HB   HIS  36           HB2      HIS  36 -18.250  -1.659  -1.659
  281    HD2  HIS  36           HD2      HIS  36 -19.308   0.108   0.108
  282    HE1  HIS  36           HE1      HIS  36 -17.396  -3.580  -3.580
  283    HE2  HIS  36           HE2      HIS  36 -18.280  -1.429  -1.429
  284    HA   PRO  37           HA       PRO  37 -14.407   1.506   1.506
  285   1HB   PRO  37           HB1      PRO  37 -12.854   0.015   0.015
  286   2HB   PRO  37           HB2      PRO  37 -13.369   1.680   1.680
  287   1HG   PRO  37           HG2      PRO  37 -14.543  -0.874  -0.874
  288   2HG   PRO  37           HG1      PRO  37 -14.302   0.667   0.667
  289   1HD   PRO  37           HD1      PRO  37 -16.712  -0.058  -0.058
  290   2HD   PRO  37           HD2      PRO  37 -16.176   1.634   1.634
  291    H    ASP  38           HN       ASP  38 -14.371  -1.785  -1.785
  292    HA   ASP  38           HA       ASP  38 -12.813  -3.024  -3.024
  293   1HB   ASP  38           HB2      ASP  38 -15.278  -4.337  -4.337
  294   2HB   ASP  38           HB1      ASP  38 -13.760  -5.104  -5.104
  295    H    ALA  39           HN       ALA  39 -16.377  -3.110  -3.110
  296    HA   ALA  39           HA       ALA  39 -17.748  -3.709  -3.709
  297   1HB   ALA  39           HB3      ALA  39 -16.272  -1.218  -1.218
  298   2HB   ALA  39           HB2      ALA  39 -17.412  -1.914  -1.914
  299   3HB   ALA  39           HB1      ALA  39 -17.962  -1.435  -1.435
  300    H    LEU  40           HN       LEU  40 -17.238  -5.686  -5.686
  301    HA   LEU  40           HA       LEU  40 -15.056  -5.916  -5.916
  302   1HB   LEU  40           HB1      LEU  40 -16.831  -7.914  -7.914
  303   2HB   LEU  40           HB2      LEU  40 -15.803  -8.371  -8.371
  304    HG   LEU  40           HG       LEU  40 -13.840  -8.035  -8.035
  305   1HD1  LEU  40          HD22      LEU  40 -15.515  -6.325  -6.325
  306   2HD1  LEU  40          HD21      LEU  40 -13.918  -6.907  -6.907
  307   3HD1  LEU  40          HD23      LEU  40 -14.098  -5.871  -5.871
  308   1HD2  LEU  40          HD11      LEU  40 -15.891  -9.015  -9.015
  309   2HD2  LEU  40          HD13      LEU  40 -15.039  -9.995  -9.995
  310   3HD2  LEU  40          HD12      LEU  40 -14.147  -9.243  -9.243
  311    H    ASN  41           HN       ASN  41 -15.325  -6.023  -6.023
  312    HA   ASN  41           HA       ASN  41 -17.814  -5.399  -5.399
  313   1HB   ASN  41           HB1      ASN  41 -16.670  -5.715  -5.715
  314   2HB   ASN  41           HB2      ASN  41 -15.667  -4.789  -4.789
  315   1HD2  ASN  41          HD22      ASN  41 -13.659  -7.411  -7.411
  316   2HD2  ASN  41          HD21      ASN  41 -14.716  -6.154  -6.154
  317    H    ARG  42           HN       ARG  42 -16.158  -8.412  -8.412
  318    HA   ARG  42           HA       ARG  42 -18.574  -9.875  -9.875
  319   1HB   ARG  42           HB1      ARG  42 -16.248  -9.830  -9.830
  320   2HB   ARG  42           HB2      ARG  42 -16.627 -11.459 -11.459
  321   1HG   ARG  42           HG2      ARG  42 -18.763  -9.683  -9.683
  322   2HG   ARG  42           HG1      ARG  42 -17.689 -10.589 -10.589
  323   1HD   ARG  42           HD1      ARG  42 -18.347 -12.614 -12.614
  324   2HD   ARG  42           HD2      ARG  42 -19.716 -11.602 -11.602
  325    HE   ARG  42           HE       ARG  42 -20.653 -12.074 -12.074
  326   1HH1  ARG  42          HH21      ARG  42 -17.219 -12.593 -12.593
  327   2HH1  ARG  42          HH22      ARG  42 -17.290 -13.207 -13.207
  328   1HH2  ARG  42          HH11      ARG  42 -20.760 -12.876 -12.876
  329   2HH2  ARG  42          HH12      ARG  42 -19.302 -13.365 -13.365
  330    H    PHE  43           HN       PHE  43 -17.308  -9.358  -9.358
  331    HA   PHE  43           HA       PHE  43 -16.558 -10.375 -10.375
  332   1HB   PHE  43           HB2      PHE  43 -18.501 -11.745 -11.745
  333   2HB   PHE  43           HB1      PHE  43 -17.783 -12.715 -12.715
  334    HD1  PHE  43           HD2      PHE  43 -17.523 -11.896 -11.896
  335    HD2  PHE  43           HD1      PHE  43 -16.541 -14.639 -14.639
  336    HE1  PHE  43           HE2      PHE  43 -16.713 -13.508 -13.508
  337    HE2  PHE  43           HE1      PHE  43 -15.730 -16.256 -16.256
  338    HZ   PHE  43           HZ       PHE  43 -15.816 -15.691 -15.691
  339    H    GLY  44           HN       GLY  44 -14.372  -9.814  -9.814
  340   1HA   GLY  44           HA2      GLY  44 -12.596 -11.978 -11.978
  341   2HA   GLY  44           HA1      GLY  44 -12.719 -11.618 -11.618
  342    H    LYS  45           HN       LYS  45 -12.550  -9.140  -9.140
  343    HA   LYS  45           HA       LYS  45 -10.094  -8.256  -8.256
  344   1HB   LYS  45           HB2      LYS  45 -11.369  -7.639  -7.639
  345   2HB   LYS  45           HB1      LYS  45 -10.149  -6.566  -6.566
  346   1HG   LYS  45           HG2      LYS  45  -9.272  -9.307  -9.307
  347   2HG   LYS  45           HG1      LYS  45  -9.729  -8.846  -8.846
  348   1HD   LYS  45           HD2      LYS  45  -8.322  -6.670  -6.670
  349   2HD   LYS  45           HD1      LYS  45  -7.506  -7.891  -7.891
  350   1HE   LYS  45           HE2      LYS  45  -6.873  -9.136  -9.136
  351   2HE   LYS  45           HE1      LYS  45  -8.035  -8.315  -8.315
  352   1HZ   LYS  45           HZ1      LYS  45  -6.303  -6.393  -6.393
  353   2HZ   LYS  45           HZ3      LYS  45  -5.354  -7.660  -7.660
  354   3HZ   LYS  45           HZ2      LYS  45  -6.463  -6.882  -6.882
  355    H    THR  46           HN       THR  46  -9.942  -6.397  -6.397
  356    HA   THR  46           HA       THR  46 -12.432  -5.053  -5.053
  357    HB   THR  46           HB       THR  46 -10.976  -3.880  -3.880
  358    HG1  THR  46           HG1      THR  46  -8.924  -5.079  -5.079
  359   1HG2  THR  46          HG23      THR  46 -11.368  -6.820  -6.820
  360   2HG2  THR  46          HG22      THR  46 -10.361  -6.120  -6.120
  361   3HG2  THR  46          HG21      THR  46 -12.039  -5.604  -5.604
  362    H    ALA  47           HN       ALA  47 -12.481  -2.672  -2.672
  363    HA   ALA  47           HA       ALA  47 -12.016  -1.430  -1.430
  364   1HB   ALA  47           HB2      ALA  47 -12.286  -0.184  -0.184
  365   2HB   ALA  47           HB1      ALA  47 -12.379   0.701   0.701
  366   3HB   ALA  47           HB3      ALA  47 -13.585  -0.529  -0.529
  367    H    LEU  48           HN       LEU  48  -9.916  -1.710  -1.710
  368    HA   LEU  48           HA       LEU  48  -7.989   0.196   0.196
  369   1HB   LEU  48           HB2      LEU  48  -8.469  -0.990  -0.990
  370   2HB   LEU  48           HB1      LEU  48  -7.131  -1.974  -1.974
  371    HG   LEU  48           HG       LEU  48  -5.945   0.306   0.306
  372   1HD1  LEU  48          HD23      LEU  48  -8.018   1.627   1.627
  373   2HD1  LEU  48          HD22      LEU  48  -7.940   1.137   1.137
  374   3HD1  LEU  48          HD21      LEU  48  -6.647   2.112   2.112
  375   1HD2  LEU  48          HD12      LEU  48  -5.607  -1.523  -1.523
  376   2HD2  LEU  48          HD11      LEU  48  -4.852   0.060   0.060
  377   3HD2  LEU  48          HD13      LEU  48  -6.330  -0.317  -0.317
  378    H    GLN  49           HN       GLN  49  -8.271  -3.324  -3.324
  379    HA   GLN  49           HA       GLN  49  -5.739  -3.712  -3.712
  380   1HB   GLN  49           HB2      GLN  49  -6.995  -5.438  -5.438
  381   2HB   GLN  49           HB1      GLN  49  -8.101  -5.590  -5.590
  382   1HG   GLN  49           HG2      GLN  49  -6.397  -6.435  -6.435
  383   2HG   GLN  49           HG1      GLN  49  -5.140  -6.023  -6.023
  384   1HE2  GLN  49          HE22      GLN  49  -5.455  -9.549  -9.549
  385   2HE2  GLN  49          HE21      GLN  49  -4.726  -8.384  -8.384
  386    H    VAL  50           HN       VAL  50  -8.623  -2.448  -2.448
  387    HA   VAL  50           HA       VAL  50  -7.981  -3.212  -3.212
  388    HB   VAL  50           HB       VAL  50 -10.392  -2.520  -2.520
  389   1HG1  VAL  50          HG12      VAL  50  -9.249  -4.933  -4.933
  390   2HG1  VAL  50          HG11      VAL  50 -10.674  -4.869  -4.869
  391   3HG1  VAL  50          HG13      VAL  50 -10.846  -4.707  -4.707
  392   1HG2  VAL  50          HG23      VAL  50 -10.305  -1.848  -1.848
  393   2HG2  VAL  50          HG22      VAL  50 -11.698  -1.804  -1.804
  394   3HG2  VAL  50          HG21      VAL  50 -11.363  -3.252  -3.252
  395    H    MET  51           HN       MET  51  -8.419  -0.612  -0.612
  396    HA   MET  51           HA       MET  51  -9.018   1.539   1.539
  397   1HB   MET  51           HB2      MET  51  -7.877   2.935   2.935
  398   2HB   MET  51           HB1      MET  51  -8.738   1.649   1.649
  399   1HG   MET  51           HG2      MET  51  -6.874   0.837   0.837
  400   2HG   MET  51           HG1      MET  51  -6.005   0.919   0.919
  401   1HE   MET  51           HE2      MET  51  -6.572   1.887   1.887
  402   2HE   MET  51           HE1      MET  51  -4.883   2.352   2.352
  403   3HE   MET  51           HE3      MET  51  -6.148   3.579   3.579
  404    H    MET  52           HN       MET  52  -7.349   3.348   3.348
  405    HA   MET  52           HA       MET  52  -5.037   2.124   2.124
  406   1HB   MET  52           HB1      MET  52  -5.437   3.274   3.274
  407   2HB   MET  52           HB2      MET  52  -7.078   2.933   2.933
  408   1HG   MET  52           HG2      MET  52  -7.440   5.102   5.102
  409   2HG   MET  52           HG1      MET  52  -6.579   5.335   5.335
  410   1HE   MET  52           HE3      MET  52  -6.997   7.478   7.478
  411   2HE   MET  52           HE2      MET  52  -5.420   8.269   8.269
  412   3HE   MET  52           HE1      MET  52  -6.181   7.774   7.774
  413    H    PHE  53           HN       PHE  53  -5.448   3.611   3.611
  414    HA   PHE  53           HA       PHE  53  -4.544   5.353   5.353
  415   1HB   PHE  53           HB2      PHE  53  -2.156   4.577   4.577
  416   2HB   PHE  53           HB1      PHE  53  -2.102   5.421   5.421
  417    HD1  PHE  53           HD2      PHE  53  -3.703   2.331   2.331
  418    HD2  PHE  53           HD1      PHE  53  -1.451   4.130   4.130
  419    HE1  PHE  53           HE2      PHE  53  -3.612   0.163   0.163
  420    HE2  PHE  53           HE1      PHE  53  -1.360   1.966   1.966
  421    HZ   PHE  53           HZ       PHE  53  -2.441  -0.020  -0.020
  422    H    GLY  54           HN       GLY  54  -5.838   6.155   6.155
  423   1HA   GLY  54           HA1      GLY  54  -4.370   8.066   8.066
  424   2HA   GLY  54           HA2      GLY  54  -6.118   8.071   8.071
  425    H    SER  55           HN       SER  55  -7.067   9.312   9.312
  426    HA   SER  55           HA       SER  55  -5.588  11.648  11.648
  427   1HB   SER  55           HB1      SER  55  -8.385  10.738  10.738
  428   2HB   SER  55           HB2      SER  55  -7.886  11.800  11.800
  429    HG   SER  55           HG       SER  55  -7.384  12.419  12.419
  430    HA   PRO  56           HA       PRO  56  -4.040  10.444  10.444
  431   1HB   PRO  56           HB2      PRO  56  -4.588  13.120  13.120
  432   2HB   PRO  56           HB1      PRO  56  -3.037  12.345  12.345
  433   1HG   PRO  56           HG2      PRO  56  -3.967  14.395  14.395
  434   2HG   PRO  56           HG1      PRO  56  -2.969  13.099  13.099
  435   1HD   PRO  56           HD2      PRO  56  -5.938  13.479  13.479
  436   2HD   PRO  56           HD1      PRO  56  -4.808  12.954  12.954
  437    H    ALA  57           HN       ALA  57  -6.951  12.480  12.480
  438    HA   ALA  57           HA       ALA  57  -7.716  11.738  11.738
  439   1HB   ALA  57           HB1      ALA  57  -8.758  13.355  13.355
  440   2HB   ALA  57           HB3      ALA  57 -10.050  12.354  12.354
  441   3HB   ALA  57           HB2      ALA  57  -9.119  13.409  13.409
  442    H    VAL  58           HN       VAL  58  -8.054  10.077  10.077
  443    HA   VAL  58           HA       VAL  58 -10.273   8.475   8.475
  444    HB   VAL  58           HB       VAL  58  -9.815   7.301   7.301
  445   1HG1  VAL  58          HG22      VAL  58  -9.673   9.829   9.829
  446   2HG1  VAL  58          HG21      VAL  58  -7.946   9.562   9.562
  447   3HG1  VAL  58          HG23      VAL  58  -9.119   8.785   8.785
  448   1HG2  VAL  58          HG12      VAL  58  -6.861   7.647   7.647
  449   2HG2  VAL  58          HG11      VAL  58  -7.801   6.186   6.186
  450   3HG2  VAL  58          HG13      VAL  58  -7.582   6.774   6.774
  451    H    ALA  59           HN       ALA  59  -6.793   7.855   7.855
  452    HA   ALA  59           HA       ALA  59  -7.074   5.306   5.306
  453   1HB   ALA  59           HB3      ALA  59  -4.875   7.351   7.351
  454   2HB   ALA  59           HB2      ALA  59  -4.749   5.811   5.811
  455   3HB   ALA  59           HB1      ALA  59  -4.945   5.839   5.839
  456    H    LEU  60           HN       LEU  60  -6.698   8.525   8.525
  457    HA   LEU  60           HA       LEU  60  -6.738   7.707   7.707
  458   1HB   LEU  60           HB1      LEU  60  -6.033   9.950   9.950
  459   2HB   LEU  60           HB2      LEU  60  -7.738  10.345  10.345
  460    HG   LEU  60           HG       LEU  60  -6.842  11.330  11.330
  461   1HD1  LEU  60          HD22      LEU  60  -9.117  10.135  10.135
  462   2HD1  LEU  60          HD21      LEU  60  -8.316   8.917   8.917
  463   3HD1  LEU  60          HD23      LEU  60  -8.412  10.587  10.587
  464   1HD2  LEU  60          HD11      LEU  60  -5.220   9.051   9.051
  465   2HD2  LEU  60          HD13      LEU  60  -5.218  10.406  10.406
  466   3HD2  LEU  60          HD12      LEU  60  -6.206   8.984   8.984
  467    H    GLU  61           HN       GLU  61  -9.350   9.051   9.051
  468    HA   GLU  61           HA       GLU  61 -11.374   8.810   8.810
  469   1HB   GLU  61           HB1      GLU  61 -11.412   9.037   9.037
  470   2HB   GLU  61           HB2      GLU  61 -12.898   8.880   8.880
  471   1HG   GLU  61           HG2      GLU  61 -12.823  10.994  10.994
  472   2HG   GLU  61           HG1      GLU  61 -11.080  10.946  10.946
  473    H    LEU  62           HN       LEU  62 -10.764   6.728   6.728
  474    HA   LEU  62           HA       LEU  62 -12.709   4.819   4.819
  475   1HB   LEU  62           HB2      LEU  62 -12.152   3.907   3.907
  476   2HB   LEU  62           HB1      LEU  62 -11.068   5.268   5.268
  477    HG   LEU  62           HG       LEU  62  -9.265   3.833   3.833
  478   1HD1  LEU  62          HD23      LEU  62 -11.527   1.993   1.993
  479   2HD1  LEU  62          HD22      LEU  62 -10.080   1.297   1.297
  480   3HD1  LEU  62          HD21      LEU  62 -10.008   1.978   1.978
  481   1HD2  LEU  62          HD12      LEU  62  -9.840   4.220   4.220
  482   2HD2  LEU  62          HD11      LEU  62  -8.602   3.062   3.062
  483   3HD2  LEU  62          HD13      LEU  62 -10.216   2.498   2.498
  484    H    LEU  63           HN       LEU  63  -9.181   4.745   4.745
  485    HA   LEU  63           HA       LEU  63  -9.153   2.250   2.250
  486   1HB   LEU  63           HB1      LEU  63  -7.186   3.555   3.555
  487   2HB   LEU  63           HB2      LEU  63  -7.215   4.490   4.490
  488    HG   LEU  63           HG       LEU  63  -7.001   1.500   1.500
  489   1HD1  LEU  63          HD12      LEU  63  -5.161   3.109   3.109
  490   2HD1  LEU  63          HD11      LEU  63  -4.448   2.802   2.802
  491   3HD1  LEU  63          HD13      LEU  63  -4.929   1.451   1.451
  492   1HD2  LEU  63          HD22      LEU  63  -6.721   3.775   3.775
  493   2HD2  LEU  63          HD21      LEU  63  -7.159   2.098   2.098
  494   3HD2  LEU  63          HD23      LEU  63  -5.463   2.547   2.547
  495    H    LYS  64           HN       LYS  64  -9.424   5.551   5.551
  496    HA   LYS  64           HA       LYS  64  -9.319   4.887   4.887
  497   1HB   LYS  64           HB2      LYS  64  -9.051   7.182   7.182
  498   2HB   LYS  64           HB1      LYS  64 -10.744   7.202   7.202
  499   1HG   LYS  64           HG1      LYS  64 -11.472   7.553   7.553
  500   2HG   LYS  64           HG2      LYS  64 -10.215   6.544   6.544
  501   1HD   LYS  64           HD1      LYS  64  -8.990   8.334   8.334
  502   2HD   LYS  64           HD2      LYS  64  -9.032   8.865   8.865
  503   1HE   LYS  64           HE1      LYS  64 -10.015  10.638  10.638
  504   2HE   LYS  64           HE2      LYS  64 -11.403   9.710   9.710
  505   1HZ   LYS  64           HZ3      LYS  64 -10.237   9.584   9.584
  506   2HZ   LYS  64           HZ2      LYS  64 -11.669  10.376  10.376
  507   3HZ   LYS  64           HZ1      LYS  64 -11.569   8.693   8.693
  508    H    GLN  65           HN       GLN  65 -12.041   5.158   5.158
  509    HA   GLN  65           HA       GLN  65 -14.196   5.004   5.004
  510   1HB   GLN  65           HB1      GLN  65 -13.686   4.481   4.481
  511   2HB   GLN  65           HB2      GLN  65 -14.612   3.118   3.118
  512   1HG   GLN  65           HG2      GLN  65 -15.382   5.983   5.983
  513   2HG   GLN  65           HG1      GLN  65 -16.272   4.534   4.534
  514   1HE2  GLN  65          HE22      GLN  65 -17.822   6.055   6.055
  515   2HE2  GLN  65          HE21      GLN  65 -17.424   6.617   6.617
  516    H    GLY  66           HN       GLY  66 -11.871   2.492   2.492
  517   1HA   GLY  66           HA2      GLY  66 -11.768   0.934   0.934
  518   2HA   GLY  66           HA1      GLY  66 -13.452   0.612   0.612
  519    H    ALA  67           HN       ALA  67 -10.361   0.762   0.762
  520    HA   ALA  67           HA       ALA  67 -11.161  -1.696  -1.696
  521   1HB   ALA  67           HB3      ALA  67 -10.608   0.489   0.489
  522   2HB   ALA  67           HB2      ALA  67  -8.928   0.090   0.090
  523   3HB   ALA  67           HB1      ALA  67  -9.914  -1.022  -1.022
  524    H    SER  68           HN       SER  68  -9.286  -3.122  -3.122
  525    HA   SER  68           HA       SER  68  -7.477  -3.405  -3.405
  526   1HB   SER  68           HB1      SER  68  -7.407  -5.796  -5.796
  527   2HB   SER  68           HB2      SER  68  -8.279  -5.501  -5.501
  528    HG   SER  68           HG       SER  68  -9.222  -5.593  -5.593
  529    HA   PRO  69           HA       PRO  69  -4.449  -2.138  -2.138
  530   1HB   PRO  69           HB1      PRO  69  -2.429  -1.823  -1.823
  531   2HB   PRO  69           HB2      PRO  69  -3.647  -0.586  -0.586
  532   1HG   PRO  69           HG2      PRO  69  -3.516  -2.571  -2.571
  533   2HG   PRO  69           HG1      PRO  69  -3.963  -0.855  -0.855
  534   1HD   PRO  69           HD2      PRO  69  -5.809  -2.821  -2.821
  535   2HD   PRO  69           HD1      PRO  69  -6.105  -1.262  -1.262
  536    H    ASN  70           HN       ASN  70  -4.554  -4.806  -4.806
  537    HA   ASN  70           HA       ASN  70  -2.166  -6.015  -6.015
  538   1HB   ASN  70           HB2      ASN  70  -3.779  -6.778  -6.778
  539   2HB   ASN  70           HB1      ASN  70  -2.441  -7.735  -7.735
  540   1HD2  ASN  70          HD22      ASN  70  -0.038  -5.115  -5.115
  541   2HD2  ASN  70          HD21      ASN  70  -0.521  -6.058  -6.058
  542    H    VAL  71           HN       VAL  71  -3.098  -6.515  -6.515
  543    HA   VAL  71           HA       VAL  71  -4.750  -8.928  -8.928
  544    HB   VAL  71           HB       VAL  71  -6.097  -8.039  -8.039
  545   1HG1  VAL  71          HG21      VAL  71  -6.891  -8.185  -8.185
  546   2HG1  VAL  71          HG23      VAL  71  -6.482  -6.477  -6.477
  547   3HG1  VAL  71          HG22      VAL  71  -7.714  -6.982  -6.982
  548   1HG2  VAL  71          HG13      VAL  71  -4.309  -6.023  -6.023
  549   2HG2  VAL  71          HG12      VAL  71  -5.935  -5.916  -5.916
  550   3HG2  VAL  71          HG11      VAL  71  -5.601  -5.267  -5.267
  551    H    GLN  72           HN       GLN  72  -4.090 -10.426 -10.426
  552    HA   GLN  72           HA       GLN  72  -2.643  -9.660  -9.660
  553   1HB   GLN  72           HB1      GLN  72  -0.904 -11.518 -11.518
  554   2HB   GLN  72           HB2      GLN  72  -0.702  -9.852  -9.852
  555   1HG   GLN  72           HG2      GLN  72  -2.269 -11.010 -11.010
  556   2HG   GLN  72           HG1      GLN  72  -1.081 -12.245 -12.245
  557   1HE2  GLN  72          HE22      GLN  72   1.646 -10.559 -10.559
  558   2HE2  GLN  72          HE21      GLN  72   1.101 -11.842 -11.842
  559    H    ASP  73           HN       ASP  73  -2.660 -11.226 -11.226
  560    HA   ASP  73           HA       ASP  73  -3.793 -13.838 -13.838
  561   1HB   ASP  73           HB2      ASP  73  -5.220 -12.757 -12.757
  562   2HB   ASP  73           HB1      ASP  73  -5.465 -11.733 -11.733
  563    H    ALA  74           HN       ALA  74  -4.309 -14.727 -14.727
  564    HA   ALA  74           HA       ALA  74  -3.324 -15.577 -15.577
  565   1HB   ALA  74           HB1      ALA  74  -2.933 -12.814 -12.814
  566   2HB   ALA  74           HB3      ALA  74  -1.375 -13.525 -13.525
  567   3HB   ALA  74           HB2      ALA  74  -2.819 -13.967 -13.967
  568    H    SER  75           HN       SER  75  -0.556 -13.734 -13.734
  569    HA   SER  75           HA       SER  75   0.798 -16.273 -16.273
  570   1HB   SER  75           HB2      SER  75   2.914 -14.934 -14.934
  571   2HB   SER  75           HB1      SER  75   1.889 -15.842 -15.842
  572    HG   SER  75           HG       SER  75   2.304 -13.715 -13.715
  573    H    GLY  76           HN       GLY  76   1.557 -12.786 -12.786
  574   1HA   GLY  76           HA1      GLY  76   1.416 -12.623 -12.623
  575   2HA   GLY  76           HA2      GLY  76   3.082 -12.890 -12.890
  576    H    THR  77           HN       THR  77   0.304 -10.743 -10.743
  577    HA   THR  77           HA       THR  77   2.084  -8.459  -8.459
  578    HB   THR  77           HB       THR  77   0.368  -7.898  -7.898
  579    HG1  THR  77           HG1      THR  77   0.105 -10.215 -10.215
  580   1HG2  THR  77          HG21      THR  77   2.949  -7.479  -7.479
  581   2HG2  THR  77          HG23      THR  77   3.095  -8.832  -8.832
  582   3HG2  THR  77          HG22      THR  77   2.248  -7.365  -7.365
  583    H    SER  78           HN       SER  78   0.990  -6.450  -6.450
  584    HA   SER  78           HA       SER  78  -1.855  -6.627  -6.627
  585   1HB   SER  78           HB1      SER  78  -1.633  -6.029  -6.029
  586   2HB   SER  78           HB2      SER  78  -0.096  -6.866  -6.866
  587    HG   SER  78           HG       SER  78   0.678  -4.652  -4.652
  588    HA   PRO  79           HA       PRO  79  -2.572  -2.459  -2.459
  589   1HB   PRO  79           HB1      PRO  79  -2.284  -1.340  -1.340
  590   2HB   PRO  79           HB2      PRO  79  -3.593  -1.132  -1.132
  591   1HG   PRO  79           HG1      PRO  79  -3.884  -2.750  -2.750
  592   2HG   PRO  79           HG2      PRO  79  -4.552  -3.182  -3.182
  593   1HD   PRO  79           HD1      PRO  79  -2.136  -4.230  -4.230
  594   2HD   PRO  79           HD2      PRO  79  -3.280  -5.069  -5.069
  595    H    VAL  80           HN       VAL  80  -0.212  -2.231  -2.231
  596    HA   VAL  80           HA       VAL  80   1.165  -0.007  -0.007
  597    HB   VAL  80           HB       VAL  80   1.477  -1.906  -1.906
  598   1HG1  VAL  80          HG12      VAL  80   4.031  -1.605  -1.605
  599   2HG1  VAL  80          HG11      VAL  80   3.940  -2.190  -2.190
  600   3HG1  VAL  80          HG13      VAL  80   3.172  -3.103  -3.103
  601   1HG2  VAL  80          HG23      VAL  80   1.581   0.673   0.673
  602   2HG2  VAL  80          HG22      VAL  80   2.527  -0.178  -0.178
  603   3HG2  VAL  80          HG21      VAL  80   3.311   0.426   0.426
  604    H    HIS  81           HN       HIS  81   1.722  -3.409  -3.409
  605    HA   HIS  81           HA       HIS  81   4.032  -2.998  -2.998
  606   1HB   HIS  81           HB1      HIS  81   1.942  -5.166  -5.166
  607   2HB   HIS  81           HB2      HIS  81   3.584  -5.213  -5.213
  608    HD2  HIS  81           HD2      HIS  81   5.435  -6.236  -6.236
  609    HE1  HIS  81           HE1      HIS  81   3.024  -6.251  -6.251
  610    HE2  HIS  81           HE2      HIS  81   5.175  -7.095  -7.095
  611    H    ASP  82           HN       ASP  82   0.654  -3.465  -3.465
  612    HA   ASP  82           HA       ASP  82   1.038  -3.027  -3.027
  613   1HB   ASP  82           HB2      ASP  82  -1.474  -1.891  -1.891
  614   2HB   ASP  82           HB1      ASP  82  -1.153  -3.416  -3.416
  615    H    ALA  83           HN       ALA  83   0.195  -0.668  -0.668
  616    HA   ALA  83           HA       ALA  83   0.000   1.594   1.594
  617   1HB   ALA  83           HB3      ALA  83  -0.307   1.119   1.119
  618   2HB   ALA  83           HB2      ALA  83   1.216   2.006   2.006
  619   3HB   ALA  83           HB1      ALA  83  -0.220   2.734   2.734
  620    H    ALA  84           HN       ALA  84   2.839   0.542   0.542
  621    HA   ALA  84           HA       ALA  84   4.629   2.462   2.462
  622   1HB   ALA  84           HB2      ALA  84   4.870   0.573   0.573
  623   2HB   ALA  84           HB1      ALA  84   5.558  -0.345  -0.345
  624   3HB   ALA  84           HB3      ALA  84   6.301   1.174   1.174
  625    H    ARG  85           HN       ARG  85   4.051  -0.758  -0.758
  626    HA   ARG  85           HA       ARG  85   5.900  -0.600  -0.600
  627   1HB   ARG  85           HB1      ARG  85   4.470  -2.596  -2.596
  628   2HB   ARG  85           HB2      ARG  85   3.246  -1.979  -1.979
  629   1HG   ARG  85           HG1      ARG  85   4.274  -3.434  -3.434
  630   2HG   ARG  85           HG2      ARG  85   5.287  -2.019  -2.019
  631   1HD   ARG  85           HD1      ARG  85   7.086  -2.955  -2.955
  632   2HD   ARG  85           HD2      ARG  85   6.141  -3.656  -3.656
  633    HE   ARG  85           HE       ARG  85   6.232  -5.623  -5.623
  634   1HH1  ARG  85          HH11      ARG  85   6.474  -3.031  -3.031
  635   2HH1  ARG  85          HH12      ARG  85   6.637  -4.088  -4.088
  636   1HH2  ARG  85          HH21      ARG  85   6.449  -7.024  -7.024
  637   2HH2  ARG  85          HH22      ARG  85   6.626  -6.358  -6.358
  638    H    THR  86           HN       THR  86   2.543   0.506   0.506
  639    HA   THR  86           HA       THR  86   2.447   1.298   1.298
  640    HB   THR  86           HB       THR  86   0.307   2.237   2.237
  641    HG1  THR  86           HG1      THR  86   0.962   1.993   1.993
  642   1HG2  THR  86          HG22      THR  86   0.961  -0.389  -0.389
  643   2HG2  THR  86          HG21      THR  86  -0.254   0.299   0.299
  644   3HG2  THR  86          HG23      THR  86  -0.558   0.221   0.221
  645    H    GLY  87           HN       GLY  87   2.452   3.228   3.228
  646   1HA   GLY  87           HA2      GLY  87   4.257   4.984   4.984
  647   2HA   GLY  87           HA1      GLY  87   3.686   5.419   5.419
  648    H    PHE  88           HN       PHE  88   2.588   5.092   5.092
  649    HA   PHE  88           HA       PHE  88   1.000   7.529   7.529
  650   1HB   PHE  88           HB2      PHE  88   0.010   4.971   4.971
  651   2HB   PHE  88           HB1      PHE  88  -0.837   6.512   6.512
  652    HD1  PHE  88           HD2      PHE  88  -1.065   7.632   7.632
  653    HD2  PHE  88           HD1      PHE  88  -0.775   3.466   3.466
  654    HE1  PHE  88           HE2      PHE  88  -2.177   7.116   7.116
  655    HE2  PHE  88           HE1      PHE  88  -1.885   2.942   2.942
  656    HZ   PHE  88           HZ       PHE  88  -2.588   4.767   4.767
  657    H    LEU  89           HN       LEU  89   3.423   7.635   7.635
  658    HA   LEU  89           HA       LEU  89   3.760   7.104   7.104
  659   1HB   LEU  89           HB1      LEU  89   5.309   8.221   8.221
  660   2HB   LEU  89           HB2      LEU  89   4.761   9.698   9.698
  661    HG   LEU  89           HG       LEU  89   6.543   7.560   7.560
  662   1HD1  LEU  89          HD11      LEU  89   7.109   9.953   9.953
  663   2HD1  LEU  89          HD13      LEU  89   6.637  10.449  10.449
  664   3HD1  LEU  89          HD12      LEU  89   7.954   9.298   9.298
  665   1HD2  LEU  89          HD23      LEU  89   4.733   9.254   9.254
  666   2HD2  LEU  89          HD22      LEU  89   4.778   7.492   7.492
  667   3HD2  LEU  89          HD21      LEU  89   6.143   8.377   8.377
  668    H    ASP  90           HN       ASP  90   2.025   9.754   9.754
  669    HA   ASP  90           HA       ASP  90   1.681  11.421  11.421
  670   1HB   ASP  90           HB2      ASP  90   0.074  12.544  12.544
  671   2HB   ASP  90           HB1      ASP  90  -0.539  11.064  11.064
  672    H    THR  91           HN       THR  91  -0.794   9.204   9.204
  673    HA   THR  91           HA       THR  91  -2.307   9.255   9.255
  674    HB   THR  91           HB       THR  91  -2.475   7.339   7.339
  675    HG1  THR  91           HG1      THR  91  -2.969   9.243   9.243
  676   1HG2  THR  91          HG21      THR  91  -4.118   7.676   7.676
  677   2HG2  THR  91          HG23      THR  91  -4.990   7.535   7.535
  678   3HG2  THR  91          HG22      THR  91  -3.875   6.263   6.263
  679    H    LEU  92           HN       LEU  92  -0.049   6.962   6.962
  680    HA   LEU  92           HA       LEU  92  -0.367   4.810   4.810
  681   1HB   LEU  92           HB2      LEU  92   1.066   4.803   4.803
  682   2HB   LEU  92           HB1      LEU  92   2.217   5.835   5.835
  683    HG   LEU  92           HG       LEU  92   2.641   4.050   4.050
  684   1HD1  LEU  92          HD22      LEU  92   0.315   2.876   2.876
  685   2HD1  LEU  92          HD21      LEU  92   1.661   1.751   1.751
  686   3HD1  LEU  92          HD23      LEU  92   0.996   2.569   2.569
  687   1HD2  LEU  92          HD11      LEU  92   3.988   4.238   4.238
  688   2HD2  LEU  92          HD13      LEU  92   3.889   2.588   2.588
  689   3HD2  LEU  92          HD12      LEU  92   2.914   3.071   3.071
  690    H    LYS  93           HN       LYS  93   1.845   7.574   7.574
  691    HA   LYS  93           HA       LYS  93   3.003   6.873   6.873
  692   1HB   LYS  93           HB1      LYS  93   3.703   8.798   8.798
  693   2HB   LYS  93           HB2      LYS  93   2.253   9.661   9.661
  694   1HG   LYS  93           HG1      LYS  93   3.013   9.606   9.606
  695   2HG   LYS  93           HG2      LYS  93   4.476   8.756   8.756
  696   1HD   LYS  93           HD2      LYS  93   3.634  11.518  11.518
  697   2HD   LYS  93           HD1      LYS  93   4.906  11.140  11.140
  698   1HE   LYS  93           HE2      LYS  93   5.820   9.687   9.687
  699   2HE   LYS  93           HE1      LYS  93   4.877  10.831  10.831
  700   1HZ   LYS  93           HZ2      LYS  93   6.109  12.594  12.594
  701   2HZ   LYS  93           HZ1      LYS  93   7.198  11.356  11.356
  702   3HZ   LYS  93           HZ3      LYS  93   6.954  11.810  11.810
  703    H    VAL  94           HN       VAL  94  -0.114   8.374   8.374
  704    HA   VAL  94           HA       VAL  94  -0.799   9.155   9.155
  705    HB   VAL  94           HB       VAL  94  -2.716   8.028   8.028
  706   1HG1  VAL  94          HG22      VAL  94  -3.227   8.753   8.753
  707   2HG1  VAL  94          HG21      VAL  94  -3.486  10.283  10.283
  708   3HG1  VAL  94          HG23      VAL  94  -4.399   8.853   8.853
  709   1HG2  VAL  94          HG13      VAL  94  -1.417  10.726  10.726
  710   2HG2  VAL  94          HG12      VAL  94  -1.551   9.660   9.660
  711   3HG2  VAL  94          HG11      VAL  94  -2.976  10.506  10.506
  712    H    LEU  95           HN       LEU  95  -2.102   6.261   6.261
  713    HA   LEU  95           HA       LEU  95  -2.968   5.000   5.000
  714   1HB   LEU  95           HB1      LEU  95  -3.119   2.968   2.968
  715   2HB   LEU  95           HB2      LEU  95  -3.767   4.354   4.354
  716    HG   LEU  95           HG       LEU  95  -1.170   4.326   4.326
  717   1HD1  LEU  95          HD22      LEU  95  -2.053   1.489   1.489
  718   2HD1  LEU  95          HD21      LEU  95  -0.809   1.941   1.941
  719   3HD1  LEU  95          HD23      LEU  95  -0.571   2.271   2.271
  720   1HD2  LEU  95          HD13      LEU  95  -3.638   4.223   4.223
  721   2HD2  LEU  95          HD12      LEU  95  -2.133   4.105   4.105
  722   3HD2  LEU  95          HD11      LEU  95  -3.001   2.640   2.640
  723    H    VAL  96           HN       VAL  96   0.093   4.853   4.853
  724    HA   VAL  96           HA       VAL  96   1.254   2.740   2.740
  725    HB   VAL  96           HB       VAL  96   2.305   4.918   4.918
  726   1HG1  VAL  96          HG23      VAL  96   3.960   3.358   3.358
  727   2HG1  VAL  96          HG22      VAL  96   4.633   3.881   3.881
  728   3HG1  VAL  96          HG21      VAL  96   4.029   5.075   5.075
  729   1HG2  VAL  96          HG12      VAL  96   1.427   2.649   2.649
  730   2HG2  VAL  96          HG11      VAL  96   2.996   3.152   3.152
  731   3HG2  VAL  96          HG13      VAL  96   2.908   1.983   1.983
  732    H    GLU  97           HN       GLU  97   1.860   6.243   6.243
  733    HA   GLU  97           HA       GLU  97   3.420   6.179   6.179
  734   1HB   GLU  97           HB2      GLU  97   2.967   8.506   8.506
  735   2HB   GLU  97           HB1      GLU  97   2.953   8.172   8.172
  736   1HG   GLU  97           HG2      GLU  97   0.545   8.507   8.507
  737   2HG   GLU  97           HG1      GLU  97   1.151   9.667   9.667
  738    H    HIS  98           HN       HIS  98  -0.045   5.917   5.917
  739    HA   HIS  98           HA       HIS  98  -0.640   6.346   6.346
  740   1HB   HIS  98           HB1      HIS  98  -2.106   5.986   5.986
  741   2HB   HIS  98           HB2      HIS  98  -2.625   4.721   4.721
  742    HD2  HIS  98           HD2      HIS  98  -4.750   7.016   7.016
  743    HE1  HIS  98           HE1      HIS  98  -3.719   8.557   8.557
  744    HE2  HIS  98           HE2      HIS  98  -5.349   8.712   8.712
  745    H    GLY  99           HN       GLY  99  -0.576   3.417   3.417
  746   1HA   GLY  99           HA1      GLY  99   0.575   1.860   1.860
  747   2HA   GLY  99           HA2      GLY  99  -1.122   1.488   1.488
  748    H    ALA 100           HN       ALA 100  -1.651   1.176   1.176
  749    HA   ALA 100           HA       ALA 100  -1.498  -0.421  -0.421
  750   1HB   ALA 100           HB1      ALA 100  -0.257   1.640   1.640
  751   2HB   ALA 100           HB3      ALA 100   1.230   0.766   0.766
  752   3HB   ALA 100           HB2      ALA 100   0.112   0.130   0.130
  753    H    ASP 101           HN       ASP 101   0.614  -1.757  -1.757
  754    HA   ASP 101           HA       ASP 101   1.852  -3.279  -3.279
  755   1HB   ASP 101           HB2      ASP 101   1.236  -5.389  -5.389
  756   2HB   ASP 101           HB1      ASP 101  -0.227  -4.435  -4.435
  757    H    VAL 102           HN       VAL 102   3.783  -2.161  -2.161
  758    HA   VAL 102           HA       VAL 102   4.891  -2.826  -2.826
  759    HB   VAL 102           HB       VAL 102   6.755  -1.221  -1.221
  760   1HG1  VAL 102          HG11      VAL 102   5.929  -1.219  -1.219
  761   2HG1  VAL 102          HG13      VAL 102   4.591  -0.214  -0.214
  762   3HG1  VAL 102          HG12      VAL 102   6.250   0.365   0.365
  763   1HG2  VAL 102          HG21      VAL 102   3.975  -0.196  -0.196
  764   2HG2  VAL 102          HG23      VAL 102   5.165  -0.703  -0.703
  765   3HG2  VAL 102          HG22      VAL 102   5.467   0.721   0.721
  766    H    ASN 103           HN       ASN 103   4.674  -4.572  -4.572
  767    HA   ASN 103           HA       ASN 103   7.526  -5.167  -5.167
  768   1HB   ASN 103           HB2      ASN 103   5.075  -5.762  -5.762
  769   2HB   ASN 103           HB1      ASN 103   6.564  -6.671  -6.671
  770   1HD2  ASN 103          HD22      ASN 103   8.372  -3.746  -3.746
  771   2HD2  ASN 103          HD21      ASN 103   8.546  -5.045  -5.045
  772    H    ALA 104           HN       ALA 104   4.571  -6.385  -6.385
  773    HA   ALA 104           HA       ALA 104   5.262  -9.129  -9.129
  774   1HB   ALA 104           HB2      ALA 104   2.956  -8.106  -8.106
  775   2HB   ALA 104           HB1      ALA 104   3.429  -7.719  -7.719
  776   3HB   ALA 104           HB3      ALA 104   3.376  -9.400  -9.400
  777    H    LEU 105           HN       LEU 105   5.513 -10.293 -10.293
  778    HA   LEU 105           HA       LEU 105   7.143  -8.774  -8.774
  779   1HB   LEU 105           HB1      LEU 105   7.961 -11.528 -11.528
  780   2HB   LEU 105           HB2      LEU 105   8.905 -10.321 -10.321
  781    HG   LEU 105           HG       LEU 105   8.013  -9.937  -9.937
  782   1HD1  LEU 105          HD13      LEU 105   9.846 -11.872 -11.872
  783   2HD1  LEU 105          HD12      LEU 105  10.782 -10.579 -10.579
  784   3HD1  LEU 105          HD11      LEU 105   9.513 -11.395 -11.395
  785   1HD2  LEU 105          HD21      LEU 105   9.218  -8.259  -8.259
  786   2HD2  LEU 105          HD23      LEU 105   9.052  -7.983  -7.983
  787   3HD2  LEU 105          HD22      LEU 105  10.510  -8.745  -8.745
  788    H    ASP 106           HN       ASP 106   7.875 -11.040 -11.040
  789    HA   ASP 106           HA       ASP 106   5.262 -11.952 -11.952
  790   1HB   ASP 106           HB2      ASP 106   6.471 -10.182 -10.182
  791   2HB   ASP 106           HB1      ASP 106   5.892 -11.626 -11.626
  792    H    SER 107           HN       SER 107   6.497 -13.514 -13.514
  793    HA   SER 107           HA       SER 107   6.774 -15.967 -15.967
  794   1HB   SER 107           HB2      SER 107   7.782 -15.268 -15.268
  795   2HB   SER 107           HB1      SER 107   7.408 -16.882 -16.882
  796    HG   SER 107           HG       SER 107   5.416 -16.541 -16.541
  797    H    THR 108           HN       THR 108   9.185 -13.669 -13.669
  798    HA   THR 108           HA       THR 108  11.369 -15.400 -15.400
  799    HB   THR 108           HB       THR 108  11.682 -12.554 -12.554
  800    HG1  THR 108           HG1      THR 108  11.439 -14.765 -14.765
  801   1HG2  THR 108          HG23      THR 108  13.463 -14.711 -14.711
  802   2HG2  THR 108          HG22      THR 108  13.484 -14.329 -14.329
  803   3HG2  THR 108          HG21      THR 108  13.824 -13.070 -13.070
  804    H    GLY 109           HN       GLY 109   9.316 -13.344 -13.344
  805   1HA   GLY 109           HA2      GLY 109   9.348 -12.497 -12.497
  806   2HA   GLY 109           HA1      GLY 109  10.894 -13.300 -13.300
  807    H    SER 110           HN       SER 110   9.906 -10.748 -10.748
  808    HA   SER 110           HA       SER 110  12.126  -9.116  -9.116
  809   1HB   SER 110           HB1      SER 110  11.161  -9.705  -9.705
  810   2HB   SER 110           HB2      SER 110  11.234  -7.966  -7.966
  811    HG   SER 110           HG       SER 110  13.264  -9.788  -9.788
  812    H    LEU 111           HN       LEU 111  11.770  -7.139  -7.139
  813    HA   LEU 111           HA       LEU 111   9.191  -6.404  -6.404
  814   1HB   LEU 111           HB2      LEU 111  11.806  -4.921  -4.921
  815   2HB   LEU 111           HB1      LEU 111  10.346  -4.173  -4.173
  816    HG   LEU 111           HG       LEU 111  11.385  -6.758  -6.758
  817   1HD1  LEU 111          HD11      LEU 111  12.350  -3.986  -3.986
  818   2HD1  LEU 111          HD13      LEU 111  12.194  -5.041  -5.041
  819   3HD1  LEU 111          HD12      LEU 111  13.229  -5.514  -5.514
  820   1HD2  LEU 111          HD22      LEU 111   9.011  -5.713  -5.713
  821   2HD2  LEU 111          HD21      LEU 111   9.911  -6.416  -6.416
  822   3HD2  LEU 111          HD23      LEU 111   9.884  -4.666  -4.666
  823    HA   PRO 112           HA       PRO 112   7.178  -4.258  -4.258
  824   1HB   PRO 112           HB1      PRO 112   7.041  -1.966  -1.966
  825   2HB   PRO 112           HB2      PRO 112   5.760  -2.688  -2.688
  826   1HG   PRO 112           HG1      PRO 112   5.937  -3.225  -3.225
  827   2HG   PRO 112           HG2      PRO 112   5.493  -4.489  -4.489
  828   1HD   PRO 112           HD1      PRO 112   8.057  -4.062  -4.062
  829   2HD   PRO 112           HD2      PRO 112   7.296  -5.575  -5.575
  830    H    ILE 113           HN       ILE 113   9.809  -2.734  -2.734
  831    HA   ILE 113           HA       ILE 113  10.236  -0.606  -0.606
  832    HB   ILE 113           HB       ILE 113  11.057  -0.481  -0.481
  833   1HG1  ILE 113          HG11      ILE 113  13.351  -0.474  -0.474
  834   2HG1  ILE 113          HG12      ILE 113  12.151   0.809   0.809
  835   1HG2  ILE 113          HG21      ILE 113  11.647  -2.882  -2.882
  836   2HG2  ILE 113          HG23      ILE 113  13.067  -2.579  -2.579
  837   3HG2  ILE 113          HG22      ILE 113  12.913  -1.797  -1.797
  838   1HD1  ILE 113          HD11      ILE 113  13.356   0.205   0.205
  839   2HD1  ILE 113          HD13      ILE 113  14.553   0.656   0.656
  840   3HD1  ILE 113          HD12      ILE 113  13.212   1.742   1.742
  841    H    HIS 114           HN       HIS 114  11.455  -3.884  -3.884
  842    HA   HIS 114           HA       HIS 114  13.598  -3.794  -3.794
  843   1HB   HIS 114           HB2      HIS 114  11.687  -6.052  -6.052
  844   2HB   HIS 114           HB1      HIS 114  13.167  -6.252  -6.252
  845    HD2  HIS 114           HD2      HIS 114  15.107  -7.208  -7.208
  846    HE1  HIS 114           HE1      HIS 114  13.946  -5.323  -5.323
  847    HE2  HIS 114           HE2      HIS 114  15.530  -6.997  -6.997
  848    H    LEU 115           HN       LEU 115  10.152  -4.186  -4.186
  849    HA   LEU 115           HA       LEU 115  10.399  -4.787  -4.787
  850   1HB   LEU 115           HB1      LEU 115   7.976  -3.421  -3.421
  851   2HB   LEU 115           HB2      LEU 115   8.095  -4.738  -4.738
  852    HG   LEU 115           HG       LEU 115   8.360  -4.888  -4.888
  853   1HD1  LEU 115          HD11      LEU 115   6.409  -5.978  -5.978
  854   2HD1  LEU 115          HD13      LEU 115   6.525  -6.588  -6.588
  855   3HD1  LEU 115          HD12      LEU 115   6.092  -4.904  -4.904
  856   1HD2  LEU 115          HD23      LEU 115  10.044  -6.284  -6.284
  857   2HD2  LEU 115          HD22      LEU 115   9.061  -7.104  -7.104
  858   3HD2  LEU 115          HD21      LEU 115   8.643  -7.234  -7.234
  859    H    ALA 116           HN       ALA 116   9.556  -1.784  -1.784
  860    HA   ALA 116           HA       ALA 116   9.275  -0.109  -0.109
  861   1HB   ALA 116           HB1      ALA 116   9.380   0.195   0.195
  862   2HB   ALA 116           HB3      ALA 116  10.626   1.268   1.268
  863   3HB   ALA 116           HB2      ALA 116   8.960   1.424   1.424
  864    H    ILE 117           HN       ILE 117  12.158  -1.342  -1.342
  865    HA   ILE 117           HA       ILE 117  14.057   0.401   0.401
  866    HB   ILE 117           HB       ILE 117  14.269  -2.478  -2.478
  867   1HG1  ILE 117          HG11      ILE 117  15.537  -0.074  -0.074
  868   2HG1  ILE 117          HG12      ILE 117  13.860  -0.498  -0.498
  869   1HG2  ILE 117          HG23      ILE 117  16.173  -0.850  -0.850
  870   2HG2  ILE 117          HG22      ILE 117  16.831  -1.505  -1.505
  871   3HG2  ILE 117          HG21      ILE 117  16.147  -2.589  -2.589
  872   1HD1  ILE 117          HD11      ILE 117  15.167  -2.875  -2.875
  873   2HD1  ILE 117          HD13      ILE 117  16.320  -1.690  -1.690
  874   3HD1  ILE 117          HD12      ILE 117  14.685  -1.752  -1.752
  875    H    ARG 118           HN       ARG 118  12.584  -2.563  -2.563
  876    HA   ARG 118           HA       ARG 118  14.209  -2.778  -2.778
  877   1HB   ARG 118           HB1      ARG 118  11.392  -3.817  -3.817
  878   2HB   ARG 118           HB2      ARG 118  12.758  -4.498  -4.498
  879   1HG   ARG 118           HG2      ARG 118  13.181  -4.319  -4.319
  880   2HG   ARG 118           HG1      ARG 118  11.834  -5.359  -5.359
  881   1HD   ARG 118           HD1      ARG 118  14.027  -5.867  -5.867
  882   2HD   ARG 118           HD2      ARG 118  14.605  -5.926  -5.926
  883    HE   ARG 118           HE       ARG 118  12.179  -7.415  -7.415
  884   1HH1  ARG 118          HH21      ARG 118  15.642  -7.462  -7.462
  885   2HH1  ARG 118          HH22      ARG 118  15.722  -9.170  -9.170
  886   1HH2  ARG 118          HH11      ARG 118  12.272  -9.668  -9.668
  887   2HH2  ARG 118          HH12      ARG 118  13.805 -10.424 -10.424
  888    H    GLU 119           HN       GLU 119  11.650  -0.711  -0.711
  889    HA   GLU 119           HA       GLU 119  10.915  -0.123  -0.123
  890   1HB   GLU 119           HB1      GLU 119   9.886   1.397   1.397
  891   2HB   GLU 119           HB2      GLU 119   9.087   1.049   1.049
  892   1HG   GLU 119           HG2      GLU 119   8.079  -0.689  -0.689
  893   2HG   GLU 119           HG1      GLU 119   9.640  -1.419  -1.419
  894    H    GLY 120           HN       GLY 120  12.096   1.682   1.682
  895   1HA   GLY 120           HA2      GLY 120  13.817   3.274   3.274
  896   2HA   GLY 120           HA1      GLY 120  13.795   3.276   3.276
  897    H    HIS 121           HN       HIS 121  11.012   3.722   3.722
  898    HA   HIS 121           HA       HIS 121  10.119   6.006   6.006
  899   1HB   HIS 121           HB2      HIS 121   9.224   4.390   4.390
  900   2HB   HIS 121           HB1      HIS 121   8.885   6.101   6.101
  901    HD2  HIS 121           HD2      HIS 121   7.169   3.182   3.182
  902    HE1  HIS 121           HE1      HIS 121   5.802   6.469   6.469
  903    HE2  HIS 121           HE2      HIS 121   5.503   3.996   3.996
  904    H    SER 122           HN       SER 122  12.574   5.650   5.650
  905    HA   SER 122           HA       SER 122  13.994   7.186   7.186
  906   1HB   SER 122           HB1      SER 122  13.016   8.590   8.590
  907   2HB   SER 122           HB2      SER 122  12.339   9.539   9.539
  908    HG   SER 122           HG       SER 122  15.074   8.908   8.908
  909    H    SER 123           HN       SER 123  10.809   8.771   8.771
  910    HA   SER 123           HA       SER 123  11.184   9.426   9.426
  911   1HB   SER 123           HB1      SER 123   8.413   9.488   9.488
  912   2HB   SER 123           HB2      SER 123   9.533  10.846  10.846
  913    HG   SER 123           HG       SER 123   8.691  10.861  10.861
  914    H    VAL 124           HN       VAL 124   9.125   7.033   7.033
  915    HA   VAL 124           HA       VAL 124   7.970   5.922   5.922
  916    HB   VAL 124           HB       VAL 124   8.521   4.725   4.725
  917   1HG1  VAL 124          HG13      VAL 124   8.451   2.931   2.931
  918   2HG1  VAL 124          HG12      VAL 124   6.895   3.528   3.528
  919   3HG1  VAL 124          HG11      VAL 124   7.042   2.887   2.887
  920   1HG2  VAL 124          HG21      VAL 124   6.304   6.216   6.216
  921   2HG2  VAL 124          HG23      VAL 124   6.848   6.191   6.191
  922   3HG2  VAL 124          HG22      VAL 124   5.854   4.875   4.875
  923    H    VAL 125           HN       VAL 125  10.668   4.597   4.597
  924    HA   VAL 125           HA       VAL 125  11.352   2.497   2.497
  925    HB   VAL 125           HB       VAL 125  13.397   4.152   4.152
  926   1HG1  VAL 125          HG11      VAL 125  14.203   2.322   2.322
  927   2HG1  VAL 125          HG13      VAL 125  13.246   1.185   1.185
  928   3HG1  VAL 125          HG12      VAL 125  14.575   2.065   2.065
  929   1HG2  VAL 125          HG21      VAL 125  11.186   2.488   2.488
  930   2HG2  VAL 125          HG23      VAL 125  12.009   3.868   3.868
  931   3HG2  VAL 125          HG22      VAL 125  12.764   2.275   2.275
  932    H    SER 126           HN       SER 126  12.557   5.840   5.840
  933    HA   SER 126           HA       SER 126  14.290   5.399   5.399
  934   1HB   SER 126           HB2      SER 126  14.402   7.873   7.873
  935   2HB   SER 126           HB1      SER 126  14.666   7.262   7.262
  936    HG   SER 126           HG       SER 126  13.093   8.529   8.529
  937    H    PHE 127           HN       PHE 127  10.948   6.344   6.344
  938    HA   PHE 127           HA       PHE 127  10.633   7.149   7.149
  939   1HB   PHE 127           HB2      PHE 127   9.052   8.077   8.077
  940   2HB   PHE 127           HB1      PHE 127   8.723   6.529   6.529
  941    HD1  PHE 127           HD1      PHE 127   8.551   8.016   8.016
  942    HD2  PHE 127           HD2      PHE 127   6.699   5.568   5.568
  943    HE1  PHE 127           HE1      PHE 127   6.616   7.684   7.684
  944    HE2  PHE 127           HE2      PHE 127   4.761   5.232   5.232
  945    HZ   PHE 127           HZ       PHE 127   4.719   6.291   6.291
  946    H    LEU 128           HN       LEU 128  10.046   4.164   4.164
  947    HA   LEU 128           HA       LEU 128   8.728   2.753   2.753
  948   1HB   LEU 128           HB2      LEU 128   9.581   2.240   2.240
  949   2HB   LEU 128           HB1      LEU 128  10.396   1.041   1.041
  950    HG   LEU 128           HG       LEU 128   8.252   0.228   0.228
  951   1HD1  LEU 128          HD13      LEU 128   8.822   0.414   0.414
  952   2HD1  LEU 128          HD12      LEU 128   7.235  -0.191  -0.191
  953   3HD1  LEU 128          HD11      LEU 128   8.692  -1.001  -1.001
  954   1HD2  LEU 128          HD21      LEU 128   7.239   2.620   2.620
  955   2HD2  LEU 128          HD23      LEU 128   6.211   1.198   1.198
  956   3HD2  LEU 128          HD22      LEU 128   6.790   2.049   2.049
  957    H    ALA 129           HN       ALA 129  11.917   3.821   3.821
  958    HA   ALA 129           HA       ALA 129  13.269   1.714   1.714
  959   1HB   ALA 129           HB1      ALA 129  13.942   4.225   4.225
  960   2HB   ALA 129           HB3      ALA 129  14.431   4.256   4.256
  961   3HB   ALA 129           HB2      ALA 129  15.033   2.989   2.989
  962    HA   PRO 130           HA       PRO 130  12.752   4.322   4.322
  963   1HB   PRO 130           HB2      PRO 130  10.767   6.237   6.237
  964   2HB   PRO 130           HB1      PRO 130  12.493   6.561   6.561
  965   1HG   PRO 130           HG1      PRO 130  10.408   6.190   6.190
  966   2HG   PRO 130           HG2      PRO 130  11.749   7.350   7.350
  967   1HD   PRO 130           HD2      PRO 130  11.880   5.146   5.146
  968   2HD   PRO 130           HD1      PRO 130  13.310   5.768   5.768
  969    H    GLU 131           HN       GLU 131   9.904   3.868   3.868
  970    HA   GLU 131           HA       GLU 131   8.319   2.981   2.981
  971   1HB   GLU 131           HB1      GLU 131   7.535   3.099   3.099
  972   2HB   GLU 131           HB2      GLU 131   6.455   2.907   2.907
  973   1HG   GLU 131           HG2      GLU 131   6.392   5.098   5.098
  974   2HG   GLU 131           HG1      GLU 131   8.125   5.294   5.294
  975    H    SER 132           HN       SER 132  10.602   1.400   1.400
  976    HA   SER 132           HA       SER 132   9.270  -1.156  -1.156
  977   1HB   SER 132           HB2      SER 132  10.763  -1.931  -1.931
  978   2HB   SER 132           HB1      SER 132   9.838  -0.528  -0.528
  979    HG   SER 132           HG       SER 132  12.494  -0.447  -0.447
  980    H    ASP 133           HN       ASP 133  10.314  -0.226  -0.226
  981    HA   ASP 133           HA       ASP 133  11.996  -0.435  -0.435
  982   1HB   ASP 133           HB1      ASP 133  12.342  -3.263  -3.263
  983   2HB   ASP 133           HB2      ASP 133  10.703  -2.748  -2.748
  984    H    LEU 134           HN       LEU 134  13.635   0.849   0.849
  985    HA   LEU 134           HA       LEU 134  15.446   0.063   0.063
  986   1HB   LEU 134           HB1      LEU 134  15.687   1.950   1.950
  987   2HB   LEU 134           HB2      LEU 134  16.971   1.740   1.740
  988    HG   LEU 134           HG       LEU 134  14.180   2.675   2.675
  989   1HD1  LEU 134          HD11      LEU 134  16.364   4.081   4.081
  990   2HD1  LEU 134          HD13      LEU 134  16.176   4.620   4.620
  991   3HD1  LEU 134          HD12      LEU 134  14.813   4.715   4.715
  992   1HD2  LEU 134          HD21      LEU 134  16.226   1.594   1.594
  993   2HD2  LEU 134          HD23      LEU 134  14.690   2.306   2.306
  994   3HD2  LEU 134          HD22      LEU 134  16.124   3.322   3.322
  995    H    HIS 135           HN       HIS 135  17.388  -0.993  -0.993
  996    HA   HIS 135           HA       HIS 135  19.208  -2.152  -2.152
  997   1HB   HIS 135           HB2      HIS 135  18.871  -0.724  -0.724
  998   2HB   HIS 135           HB1      HIS 135  18.012  -2.121  -2.121
  999    HD2  HIS 135           HD2      HIS 135  21.556  -1.719  -1.719
 1000    HE1  HIS 135           HE1      HIS 135  21.832  -4.213  -4.213
 1001    HE2  HIS 135           HE2      HIS 135  23.072  -3.294  -3.294
 1002    H    HIS 136           HN       HIS 136  15.946  -2.925  -2.925
 1003    HA   HIS 136           HA       HIS 136  16.017  -5.516  -5.516
 1004   1HB   HIS 136           HB1      HIS 136  13.960  -4.144  -4.144
 1005   2HB   HIS 136           HB2      HIS 136  14.129  -4.502  -4.502
 1006    HD2  HIS 136           HD2      HIS 136  12.882  -6.734  -6.734
 1007    HE1  HIS 136           HE1      HIS 136  12.354  -8.450  -8.450
 1008    HE2  HIS 136           HE2      HIS 136  11.704  -8.585  -8.585
 1009    H    ARG 137           HN       ARG 137  15.441  -7.505  -7.505
 1010    HA   ARG 137           HA       ARG 137  17.155  -7.586  -7.586
 1011   1HB   ARG 137           HB1      ARG 137  17.096  -9.267  -9.267
 1012   2HB   ARG 137           HB2      ARG 137  17.038 -10.188 -10.188
 1013   1HG   ARG 137           HG2      ARG 137  19.179  -9.773  -9.773
 1014   2HG   ARG 137           HG1      ARG 137  19.040  -8.070  -8.070
 1015   1HD   ARG 137           HD2      ARG 137  18.832  -9.423  -9.423
 1016   2HD   ARG 137           HD1      ARG 137  20.077 -10.304 -10.304
 1017    HE   ARG 137           HE       ARG 137  20.428  -7.452  -7.452
 1018   1HH1  ARG 137          HH21      ARG 137  21.043 -10.385 -10.385
 1019   2HH1  ARG 137          HH22      ARG 137  22.422  -9.745  -9.745
 1020   1HH2  ARG 137          HH11      ARG 137  22.240  -6.599  -6.599
 1021   2HH2  ARG 137          HH12      ARG 137  23.102  -7.592  -7.592
 1022    H    ASP 138           HN       ASP 138  16.569 -10.061 -10.061
 1023    HA   ASP 138           HA       ASP 138  13.672 -10.267 -10.267
 1024   1HB   ASP 138           HB2      ASP 138  15.547  -9.712  -9.712
 1025   2HB   ASP 138           HB1      ASP 138  13.932 -10.380 -10.380
 1026    H    ALA 139           HN       ALA 139  13.124 -12.192 -12.192
 1027    HA   ALA 139           HA       ALA 139  14.397 -14.491 -14.491
 1028   1HB   ALA 139           HB1      ALA 139  11.959 -14.069 -14.069
 1029   2HB   ALA 139           HB3      ALA 139  12.715 -14.768 -14.768
 1030   3HB   ALA 139           HB2      ALA 139  12.686 -15.675 -15.675
 1031    H    SER 140           HN       SER 140  15.356 -12.449 -12.449
 1032    HA   SER 140           HA       SER 140  16.856 -14.584 -14.584
 1033   1HB   SER 140           HB1      SER 140  16.834 -13.316 -13.316
 1034   2HB   SER 140           HB2      SER 140  15.203 -13.138 -13.138
 1035    HG   SER 140           HG       SER 140  16.602 -11.192 -11.192
 1036    H    GLY 141           HN       GLY 141  17.226 -12.334 -12.334
 1037   1HA   GLY 141           HA2      GLY 141  19.055 -11.341 -11.341
 1038   2HA   GLY 141           HA1      GLY 141  20.032 -12.440 -12.440
 1039    H    LEU 142           HN       LEU 142  17.815  -9.970  -9.970
 1040    HA   LEU 142           HA       LEU 142  20.141  -8.545  -8.545
 1041   1HB   LEU 142           HB1      LEU 142  17.476  -9.198  -9.198
 1042   2HB   LEU 142           HB2      LEU 142  18.407  -7.829  -7.829
 1043    HG   LEU 142           HG       LEU 142  19.377 -10.689 -10.689
 1044   1HD1  LEU 142          HD13      LEU 142  17.481 -10.124 -10.124
 1045   2HD1  LEU 142          HD12      LEU 142  18.616  -9.043  -9.043
 1046   3HD1  LEU 142          HD11      LEU 142  18.949 -10.773 -10.773
 1047   1HD2  LEU 142          HD23      LEU 142  20.866  -8.385  -8.385
 1048   2HD2  LEU 142          HD22      LEU 142  21.388  -9.952  -9.952
 1049   3HD2  LEU 142          HD21      LEU 142  20.704  -8.756  -8.756
 1050    H    THR 143           HN       THR 143  20.051  -7.290  -7.290
 1051    HA   THR 143           HA       THR 143  17.947  -5.819  -5.819
 1052    HB   THR 143           HB       THR 143  19.743  -4.105  -4.105
 1053    HG1  THR 143           HG1      THR 143  21.088  -5.400  -5.400
 1054   1HG2  THR 143          HG21      THR 143  19.909  -6.999  -6.999
 1055   2HG2  THR 143          HG23      THR 143  20.983  -5.795  -5.795
 1056   3HG2  THR 143          HG22      THR 143  19.239  -5.652  -5.652
 1057    HA   PRO 144           HA       PRO 144  16.593  -2.629  -2.629
 1058   1HB   PRO 144           HB1      PRO 144  17.664  -0.657  -0.657
 1059   2HB   PRO 144           HB2      PRO 144  16.067  -0.740  -0.740
 1060   1HG   PRO 144           HG2      PRO 144  16.422  -1.537  -1.537
 1061   2HG   PRO 144           HG1      PRO 144  15.339  -2.422  -2.422
 1062   1HD   PRO 144           HD2      PRO 144  18.061  -3.145  -3.145
 1063   2HD   PRO 144           HD1      PRO 144  16.687  -4.194  -4.194
 1064    H    LEU 145           HN       LEU 145  19.778  -2.071  -2.071
 1065    HA   LEU 145           HA       LEU 145  20.679  -0.291  -0.291
 1066   1HB   LEU 145           HB2      LEU 145  21.560  -0.737  -0.737
 1067   2HB   LEU 145           HB1      LEU 145  22.567  -1.926  -1.926
 1068    HG   LEU 145           HG       LEU 145  22.508   1.030   1.030
 1069   1HD1  LEU 145          HD13      LEU 145  24.212  -0.685  -0.685
 1070   2HD1  LEU 145          HD12      LEU 145  24.993   0.602   0.602
 1071   3HD1  LEU 145          HD11      LEU 145  23.700   0.989   0.989
 1072   1HD2  LEU 145          HD21      LEU 145  23.575  -1.273  -1.273
 1073   2HD2  LEU 145          HD23      LEU 145  23.290   0.378   0.378
 1074   3HD2  LEU 145          HD22      LEU 145  24.774  -0.018  -0.018
 1075    H    GLU 146           HN       GLU 146  21.053  -3.761  -3.761
 1076    HA   GLU 146           HA       GLU 146  22.835  -4.237  -4.237
 1077   1HB   GLU 146           HB2      GLU 146  21.220  -5.868  -5.868
 1078   2HB   GLU 146           HB1      GLU 146  21.561  -6.625  -6.625
 1079   1HG   GLU 146           HG2      GLU 146  23.545  -7.211  -7.211
 1080   2HG   GLU 146           HG1      GLU 146  23.980  -5.507  -5.507
 1081    H    LEU 147           HN       LEU 147  19.299  -4.610  -4.610
 1082    HA   LEU 147           HA       LEU 147  18.793  -5.612  -5.612
 1083   1HB   LEU 147           HB2      LEU 147  17.252  -4.755  -4.755
 1084   2HB   LEU 147           HB1      LEU 147  16.899  -3.545  -3.545
 1085    HG   LEU 147           HG       LEU 147  15.382  -5.630  -5.630
 1086   1HD1  LEU 147          HD13      LEU 147  16.506  -4.359  -4.359
 1087   2HD1  LEU 147          HD12      LEU 147  15.402  -5.722  -5.722
 1088   3HD1  LEU 147          HD11      LEU 147  14.879  -4.270  -4.270
 1089   1HD2  LEU 147          HD21      LEU 147  17.673  -7.017  -7.017
 1090   2HD2  LEU 147          HD23      LEU 147  16.103  -7.642  -7.642
 1091   3HD2  LEU 147          HD22      LEU 147  17.200  -6.945  -6.945
 1092    H    ALA 148           HN       ALA 148  19.329  -2.294  -2.294
 1093    HA   ALA 148           HA       ALA 148  18.724  -1.004  -1.004
 1094   1HB   ALA 148           HB3      ALA 148  20.078  -0.325  -0.325
 1095   2HB   ALA 148           HB2      ALA 148  20.674   0.561   0.561
 1096   3HB   ALA 148           HB1      ALA 148  18.963   0.627   0.627
 1097    H    ARG 149           HN       ARG 149  21.772  -2.291  -2.291
 1098    HA   ARG 149           HA       ARG 149  23.456  -1.503  -1.503
 1099   1HB   ARG 149           HB1      ARG 149  24.482  -2.347  -2.347
 1100   2HB   ARG 149           HB2      ARG 149  23.537  -3.830  -3.830
 1101   1HG   ARG 149           HG1      ARG 149  25.746  -4.383  -4.383
 1102   2HG   ARG 149           HG2      ARG 149  24.752  -4.432  -4.432
 1103   1HD   ARG 149           HD1      ARG 149  25.636  -2.423  -2.423
 1104   2HD   ARG 149           HD2      ARG 149  26.274  -1.965  -1.965
 1105    HE   ARG 149           HE       ARG 149  27.545  -3.623  -3.623
 1106   1HH1  ARG 149          HH11      ARG 149  27.323  -2.891  -2.891
 1107   2HH1  ARG 149          HH12      ARG 149  28.909  -3.483  -3.483
 1108   1HH2  ARG 149          HH21      ARG 149  29.636  -4.407  -4.407
 1109   2HH2  ARG 149          HH22      ARG 149  30.224  -4.344  -4.344
 1110    H    GLN 150           HN       GLN 150  21.162  -4.106  -4.106
 1111    HA   GLN 150           HA       GLN 150  22.068  -5.566  -5.566
 1112   1HB   GLN 150           HB2      GLN 150  20.494  -6.265  -6.265
 1113   2HB   GLN 150           HB1      GLN 150  19.229  -5.698  -5.698
 1114   1HG   GLN 150           HG2      GLN 150  19.414  -7.461  -7.461
 1115   2HG   GLN 150           HG1      GLN 150  21.173  -7.502  -7.502
 1116   1HE2  GLN 150          HE22      GLN 150  20.989 -10.365 -10.365
 1117   2HE2  GLN 150          HE21      GLN 150  21.670  -9.502  -9.502
 1118    H    ARG 151           HN       ARG 151  18.898  -3.987  -3.987
 1119    HA   ARG 151           HA       ARG 151  18.694  -3.509  -3.509
 1120   1HB   ARG 151           HB2      ARG 151  16.961  -2.281  -2.281
 1121   2HB   ARG 151           HB1      ARG 151  16.543  -2.606  -2.606
 1122   1HG   ARG 151           HG1      ARG 151  16.769  -4.511  -4.511
 1123   2HG   ARG 151           HG2      ARG 151  15.434  -4.272  -4.272
 1124   1HD   ARG 151           HD2      ARG 151  18.123  -5.361  -5.361
 1125   2HD   ARG 151           HD1      ARG 151  16.766  -6.378  -6.378
 1126    HE   ARG 151           HE       ARG 151  15.776  -4.754  -4.754
 1127   1HH1  ARG 151          HH21      ARG 151  18.389  -7.038  -7.038
 1128   2HH1  ARG 151          HH22      ARG 151  18.338  -7.494  -7.494
 1129   1HH2  ARG 151          HH11      ARG 151  15.700  -5.344  -5.344
 1130   2HH2  ARG 151          HH12      ARG 151  16.810  -6.529  -6.529
 1131    H    GLY 152           HN       GLY 152  20.807  -2.313  -2.313
 1132   1HA   GLY 152           HA1      GLY 152  21.094   0.202   0.202
 1133   2HA   GLY 152           HA2      GLY 152  22.014  -0.373  -0.373
 1134    H    ALA 153           HN       ALA 153  18.571   0.442   0.442
 1135    HA   ALA 153           HA       ALA 153  18.124   1.493   1.493
 1136   1HB   ALA 153           HB1      ALA 153  16.376   0.993   0.993
 1137   2HB   ALA 153           HB3      ALA 153  16.835   2.481   2.481
 1138   3HB   ALA 153           HB2      ALA 153  16.168   2.549   2.549
 1139    H    GLN 154           HN       GLN 154  19.597   2.868   2.868
 1140    HA   GLN 154           HA       GLN 154  21.102   4.794   4.794
 1141   1HB   GLN 154           HB1      GLN 154  19.948   6.875   6.875
 1142   2HB   GLN 154           HB2      GLN 154  18.895   5.833   5.833
 1143   1HG   GLN 154           HG1      GLN 154  18.701   6.338   6.338
 1144   2HG   GLN 154           HG2      GLN 154  17.653   7.012   7.012
 1145   1HE2  GLN 154          HE22      GLN 154  16.694   3.588   3.588
 1146   2HE2  GLN 154          HE21      GLN 154  17.798   4.757   4.757
 1147    H    ASN 155           HN       ASN 155  20.572   6.848   6.848
 1148    HA   ASN 155           HA       ASN 155  22.263   5.648   5.648
 1149   1HB   ASN 155           HB1      ASN 155  20.827   8.309   8.309
 1150   2HB   ASN 155           HB2      ASN 155  22.166   7.813   7.813
 1151   1HD2  ASN 155          HD22      ASN 155  24.442   7.825   7.825
 1152   2HD2  ASN 155          HD21      ASN 155  23.887   6.667   6.667
 1153    H    LEU 156           HN       LEU 156  19.937   4.103   4.103
 1154    HA   LEU 156           HA       LEU 156  18.093   4.934   4.934
 1155   1HB   LEU 156           HB1      LEU 156  17.525   2.358   2.358
 1156   2HB   LEU 156           HB2      LEU 156  16.995   3.489   3.489
 1157    HG   LEU 156           HG       LEU 156  18.689   2.764   2.764
 1158   1HD1  LEU 156          HD23      LEU 156  19.853   1.506   1.506
 1159   2HD1  LEU 156          HD22      LEU 156  20.137   0.753   0.753
 1160   3HD1  LEU 156          HD21      LEU 156  20.641   2.418   2.418
 1161   1HD2  LEU 156          HD13      LEU 156  16.711   1.061   1.061
 1162   2HD2  LEU 156          HD12      LEU 156  17.447   1.006   1.006
 1163   3HD2  LEU 156          HD11      LEU 156  18.139   0.065   0.065
 1164    H    MET 157           HN       MET 157  21.020   3.033   3.033
 1165    HA   MET 157           HA       MET 157  20.653   1.842   1.842
 1166   1HB   MET 157           HB2      MET 157  22.721   0.938   0.938
 1167   2HB   MET 157           HB1      MET 157  22.383   1.418   1.418
 1168   1HG   MET 157           HG1      MET 157  23.682   3.438   3.438
 1169   2HG   MET 157           HG2      MET 157  23.979   3.034   3.034
 1170   1HE   MET 157           HE3      MET 157  23.802  -0.174  -0.174
 1171   2HE   MET 157           HE2      MET 157  25.488  -0.682  -0.682
 1172   3HE   MET 157           HE1      MET 157  24.659  -0.085  -0.085
 1173    H    ASP 158           HN       ASP 158  21.761   4.950   4.950
 1174    HA   ASP 158           HA       ASP 158  22.984   5.717   5.717
 1175   1HB   ASP 158           HB1      ASP 158  22.028   7.910   7.910
 1176   2HB   ASP 158           HB2      ASP 158  22.979   6.722   6.722
 1177    H    ILE 159           HN       ILE 159  19.856   6.409   6.409
 1178    HA   ILE 159           HA       ILE 159  18.832   8.176   8.176
 1179    HB   ILE 159           HB       ILE 159  16.748   6.324   6.324
 1180   1HG1  ILE 159          HG12      ILE 159  18.443   7.456   7.456
 1181   2HG1  ILE 159          HG11      ILE 159  18.311   5.751   5.751
 1182   1HG2  ILE 159          HG21      ILE 159  17.414   9.207   9.207
 1183   2HG2  ILE 159          HG23      ILE 159  16.016   8.468   8.468
 1184   3HG2  ILE 159          HG22      ILE 159  16.133   8.496   8.496
 1185   1HD1  ILE 159          HD13      ILE 159  16.031   7.474   7.474
 1186   2HD1  ILE 159          HD12      ILE 159  16.953   6.364   6.364
 1187   3HD1  ILE 159          HD11      ILE 159  15.981   5.743   5.743
 1188    H    LEU 160           HN       LEU 160  18.914   4.649   4.649
 1189    HA   LEU 160           HA       LEU 160  17.382   4.494   4.494
 1190   1HB   LEU 160           HB2      LEU 160  19.187   2.260   2.260
 1191   2HB   LEU 160           HB1      LEU 160  17.458   2.267   2.267
 1192    HG   LEU 160           HG       LEU 160  18.882   2.781   2.781
 1193   1HD1  LEU 160          HD11      LEU 160  17.590   0.521   0.521
 1194   2HD1  LEU 160          HD13      LEU 160  16.749   0.988   0.988
 1195   3HD1  LEU 160          HD12      LEU 160  18.474   0.624   0.624
 1196   1HD2  LEU 160          HD21      LEU 160  16.235   3.685   3.685
 1197   2HD2  LEU 160          HD23      LEU 160  17.286   4.313   4.313
 1198   3HD2  LEU 160          HD22      LEU 160  16.284   2.895   2.895
 1199    H    GLN 161           HN       GLN 161  20.827   4.438   4.438
 1200    HA   GLN 161           HA       GLN 161  21.782   3.854   3.854
 1201   1HB   GLN 161           HB2      GLN 161  22.875   4.812   4.812
 1202   2HB   GLN 161           HB1      GLN 161  23.713   5.467   5.467
 1203   1HG   GLN 161           HG2      GLN 161  23.952   3.117   3.117
 1204   2HG   GLN 161           HG1      GLN 161  23.337   2.578   2.578
 1205   1HE2  GLN 161          HE22      GLN 161  26.313   4.351   4.351
 1206   2HE2  GLN 161          HE21      GLN 161  24.635   4.756   4.756
 1207    H    GLY 162           HN       GLY 162  21.502   7.013   7.013
 1208   1HA   GLY 162           HA2      GLY 162  22.268   8.569   8.569
 1209   2HA   GLY 162           HA1      GLY 162  21.316   9.139   9.139
 1210    H    HIS 163           HN       HIS 163  19.098   7.391   7.391
 1211    HA   HIS 163           HA       HIS 163  17.654   8.885   8.885
 1212   1HB   HIS 163           HB2      HIS 163  16.879   6.465   6.465
 1213   2HB   HIS 163           HB1      HIS 163  15.765   7.370   7.370
 1214    HD2  HIS 163           HD2      HIS 163  14.478   7.752   7.752
 1215    HE1  HIS 163           HE1      HIS 163  17.165  10.871  10.871
 1216    HE2  HIS 163           HE2      HIS 163  15.053   9.649   9.649
 1217    H    MET 164           HN       MET 164  19.642   6.186   6.186
 1218    HA   MET 164           HA       MET 164  18.232   4.983   4.983
 1219   1HB   MET 164           HB1      MET 164  20.013   4.025   4.025
 1220   2HB   MET 164           HB2      MET 164  20.873   3.913   3.913
 1221   1HG   MET 164           HG2      MET 164  18.961   2.667   2.667
 1222   2HG   MET 164           HG1      MET 164  18.191   2.711   2.711
 1223   1HE   MET 164           HE3      MET 164  18.716   1.630   1.630
 1224   2HE   MET 164           HE2      MET 164  20.439   1.614   1.614
 1225   3HE   MET 164           HE1      MET 164  19.579   0.096   0.096
 1226    H    MET 165           HN       MET 165  20.045   4.205   4.205
 1227    HA   MET 165           HA       MET 165  21.541   6.604   6.604
 1228   1HB   MET 165           HB2      MET 165  19.220   5.659   5.659
 1229   2HB   MET 165           HB1      MET 165  20.537   5.117   5.117
 1230   1HG   MET 165           HG1      MET 165  21.272   7.302   7.302
 1231   2HG   MET 165           HG2      MET 165  20.333   7.955   7.955
 1232   1HE   MET 165           HE3      MET 165  20.300   5.992   5.992
 1233   2HE   MET 165           HE2      MET 165  19.746   7.289   7.289
 1234   3HE   MET 165           HE1      MET 165  18.632   6.010   6.010
 1235    H    ILE 166           HN       ILE 166  22.354   4.078   4.078
 1236    HA   ILE 166           HA       ILE 166  23.513   2.242   2.242
 1237    HB   ILE 166           HB       ILE 166  25.163   1.810   1.810
 1238   1HG1  ILE 166          HG12      ILE 166  23.830   4.228   4.228
 1239   2HG1  ILE 166          HG11      ILE 166  25.536   4.036   4.036
 1240   1HG2  ILE 166          HG23      ILE 166  22.553   1.203   1.203
 1241   2HG2  ILE 166          HG22      ILE 166  22.606   2.086   2.086
 1242   3HG2  ILE 166          HG21      ILE 166  23.632   0.672   0.672
 1243   1HD1  ILE 166          HD12      ILE 166  25.530   2.124   2.124
 1244   2HD1  ILE 166          HD11      ILE 166  23.976   2.767   2.767
 1245   3HD1  ILE 166          HD13      ILE 166  25.424   3.770   3.770
 1246    HA   PRO 167           HA       PRO 167  26.396   4.948   4.948
 1247   1HB   PRO 167           HB2      PRO 167  27.238   2.384   2.384
 1248   2HB   PRO 167           HB1      PRO 167  26.675   3.863   3.863
 1249   1HG   PRO 167           HG2      PRO 167  25.133   1.678   1.678
 1250   2HG   PRO 167           HG1      PRO 167  24.444   3.307   3.307
 1251   1HD   PRO 167           HD1      PRO 167  25.014   1.298   1.298
 1252   2HD   PRO 167           HD2      PRO 167  23.620   2.383   2.383
 1253    H    MET 168           HN       MET 168  26.979   2.376   2.376
 1254    HA   MET 168           HA       MET 168  29.823   2.267   2.267
 1255   1HB   MET 168           HB2      MET 168  27.970   1.407   1.407
 1256   2HB   MET 168           HB1      MET 168  29.688   1.038   1.038
 1257   1HG   MET 168           HG1      MET 168  29.239  -0.118  -0.118
 1258   2HG   MET 168           HG2      MET 168  27.521   0.076   0.076
 1259   1HE   MET 168           HE1      MET 168  30.366  -2.089  -2.089
 1260   2HE   MET 168           HE3      MET 168  28.894  -2.931  -2.931
 1261   3HE   MET 168           HE2      MET 168  29.801  -3.479  -3.479

  Start of MODEL    4
    1   1H    GLY   1           HT3      GLY   1 -36.675 -18.025 -18.025
    2   2H    GLY   1           HT2      GLY   1 -36.083 -17.346 -17.346
    3   3H    GLY   1           HT1      GLY   1 -37.461 -18.326 -18.326
    4   1HA   GLY   1           HA2      GLY   1 -36.286 -20.187 -20.187
    5   2HA   GLY   1           HA1      GLY   1 -34.914 -19.143 -19.143
    6    H    SER   2           HN       SER   2 -33.390 -20.442 -20.442
    7    HA   SER   2           HA       SER   2 -33.337 -20.280 -20.280
    8   1HB   SER   2           HB1      SER   2 -34.437 -22.464 -22.464
    9   2HB   SER   2           HB2      SER   2 -32.954 -22.940 -22.940
   10    HG   SER   2           HG       SER   2 -33.204 -22.260 -22.260
   11    H    MET   3           HN       MET   3 -31.618 -21.809 -21.809
   12    HA   MET   3           HA       MET   3 -29.080 -20.938 -20.938
   13   1HB   MET   3           HB2      MET   3 -29.670 -22.866 -22.866
   14   2HB   MET   3           HB1      MET   3 -28.056 -22.448 -22.448
   15   1HG   MET   3           HG1      MET   3 -28.921 -23.238 -23.238
   16   2HG   MET   3           HG2      MET   3 -30.171 -24.048 -24.048
   17   1HE   MET   3           HE1      MET   3 -30.190 -25.986 -25.986
   18   2HE   MET   3           HE3      MET   3 -28.985 -26.839 -26.839
   19   3HE   MET   3           HE2      MET   3 -29.058 -27.093 -27.093
   20    H    LEU   4           HN       LEU   4 -28.383 -19.008 -19.008
   21    HA   LEU   4           HA       LEU   4 -27.612 -18.318 -18.318
   22   1HB   LEU   4           HB2      LEU   4 -29.442 -16.575 -16.575
   23   2HB   LEU   4           HB1      LEU   4 -29.741 -18.254 -18.254
   24    HG   LEU   4           HG       LEU   4 -31.134 -18.520 -18.520
   25   1HD1  LEU   4          HD12      LEU   4 -29.911 -16.964 -16.964
   26   2HD1  LEU   4          HD11      LEU   4 -30.572 -15.609 -15.609
   27   3HD1  LEU   4          HD13      LEU   4 -31.649 -16.661 -16.661
   28   1HD2  LEU   4          HD22      LEU   4 -31.682 -16.464 -16.464
   29   2HD2  LEU   4          HD21      LEU   4 -32.593 -17.911 -17.911
   30   3HD2  LEU   4          HD23      LEU   4 -32.737 -16.453 -16.453
   31    H    LEU   5           HN       LEU   5 -26.634 -17.961 -17.961
   32    HA   LEU   5           HA       LEU   5 -27.025 -15.180 -15.180
   33   1HB   LEU   5           HB2      LEU   5 -24.938 -16.906 -16.906
   34   2HB   LEU   5           HB1      LEU   5 -25.938 -15.666 -15.666
   35    HG   LEU   5           HG       LEU   5 -26.787 -18.464 -18.464
   36   1HD1  LEU   5          HD13      LEU   5 -25.449 -18.239 -18.239
   37   2HD1  LEU   5          HD12      LEU   5 -26.635 -17.091 -17.091
   38   3HD1  LEU   5          HD11      LEU   5 -27.103 -18.764 -18.764
   39   1HD2  LEU   5          HD22      LEU   5 -28.355 -16.034 -16.034
   40   2HD2  LEU   5          HD21      LEU   5 -28.744 -17.359 -17.359
   41   3HD2  LEU   5          HD23      LEU   5 -28.886 -17.588 -17.588
   42    H    GLU   6           HN       GLU   6 -25.941 -13.637 -13.637
   43    HA   GLU   6           HA       GLU   6 -23.255 -14.236 -14.236
   44   1HB   GLU   6           HB1      GLU   6 -25.546 -12.854 -12.854
   45   2HB   GLU   6           HB2      GLU   6 -24.095 -11.863 -11.863
   46   1HG   GLU   6           HG1      GLU   6 -24.127 -14.688 -14.688
   47   2HG   GLU   6           HG2      GLU   6 -24.572 -13.318 -13.318
   48    H    GLU   7           HN       GLU   7 -25.143 -12.140 -12.140
   49    HA   GLU   7           HA       GLU   7 -24.613 -10.272 -10.272
   50   1HB   GLU   7           HB2      GLU   7 -22.094 -11.879 -11.879
   51   2HB   GLU   7           HB1      GLU   7 -22.739 -10.628 -10.628
   52   1HG   GLU   7           HG2      GLU   7 -23.144 -13.264 -13.264
   53   2HG   GLU   7           HG1      GLU   7 -24.231 -12.005 -12.005
   54    H    VAL   8           HN       VAL   8 -24.393  -9.135  -9.135
   55    HA   VAL   8           HA       VAL   8 -21.719  -7.924  -7.924
   56    HB   VAL   8           HB       VAL   8 -21.703  -9.344  -9.344
   57   1HG1  VAL   8          HG23      VAL   8 -24.421  -9.309  -9.309
   58   2HG1  VAL   8          HG22      VAL   8 -24.135  -8.374  -8.374
   59   3HG1  VAL   8          HG21      VAL   8 -23.495 -10.012 -10.012
   60   1HG2  VAL   8          HG11      VAL   8 -21.048  -6.953  -6.953
   61   2HG2  VAL   8          HG13      VAL   8 -21.524  -7.830  -7.830
   62   3HG2  VAL   8          HG12      VAL   8 -22.645  -6.695  -6.695
   63    H    CYS   9           HN       CYS   9 -25.021  -7.586  -7.586
   64    HA   CYS   9           HA       CYS   9 -26.232  -5.703  -5.703
   65   1HB   CYS   9           HB2      CYS   9 -25.310  -5.298  -5.298
   66   2HB   CYS   9           HB1      CYS   9 -26.406  -4.163  -4.163
   67    HG   CYS   9           HG       CYS   9 -27.628  -6.838  -6.838
   68    H    VAL  10           HN       VAL  10 -24.150  -3.837  -3.837
   69    HA   VAL  10           HA       VAL  10 -23.497  -2.098  -2.098
   70    HB   VAL  10           HB       VAL  10 -24.411  -1.235  -1.235
   71   1HG1  VAL  10          HG12      VAL  10 -22.464  -2.687  -2.687
   72   2HG1  VAL  10          HG11      VAL  10 -21.635  -1.135  -1.135
   73   3HG1  VAL  10          HG13      VAL  10 -23.160  -1.253  -1.253
   74   1HG2  VAL  10          HG21      VAL  10 -23.478   0.212   0.212
   75   2HG2  VAL  10          HG23      VAL  10 -23.070   0.801   0.801
   76   3HG2  VAL  10          HG22      VAL  10 -21.860  -0.048  -0.048
   77    H    GLY  11           HN       GLY  11 -22.192  -4.744  -4.744
   78   1HA   GLY  11           HA2      GLY  11 -19.509  -4.148  -4.148
   79   2HA   GLY  11           HA1      GLY  11 -20.075  -5.665  -5.665
   80    H    ASP  12           HN       ASP  12 -21.184  -3.669  -3.669
   81    HA   ASP  12           HA       ASP  12 -18.642  -3.407  -3.407
   82   1HB   ASP  12           HB2      ASP  12 -19.646  -4.227  -4.227
   83   2HB   ASP  12           HB1      ASP  12 -19.974  -5.404  -5.404
   84    H    ARG  13           HN       ARG  13 -20.411  -1.518  -1.518
   85    HA   ARG  13           HA       ARG  13 -21.226   0.268   0.268
   86   1HB   ARG  13           HB1      ARG  13 -23.010  -0.084  -0.084
   87   2HB   ARG  13           HB2      ARG  13 -21.957   0.172   0.172
   88   1HG   ARG  13           HG2      ARG  13 -22.382   2.343   2.343
   89   2HG   ARG  13           HG1      ARG  13 -21.934   2.483   2.483
   90   1HD   ARG  13           HD1      ARG  13 -24.191   1.699   1.699
   91   2HD   ARG  13           HD2      ARG  13 -24.626   1.669   1.669
   92    HE   ARG  13           HE       ARG  13 -23.639   4.220   4.220
   93   1HH1  ARG  13          HH21      ARG  13 -26.446   2.161   2.161
   94   2HH1  ARG  13          HH22      ARG  13 -27.569   3.475   3.475
   95   1HH2  ARG  13          HH11      ARG  13 -25.110   5.962   5.962
   96   2HH2  ARG  13          HH12      ARG  13 -26.810   5.635   5.635
   97    H    LEU  14           HN       LEU  14 -19.900   0.709   0.709
   98    HA   LEU  14           HA       LEU  14 -18.617   3.154   3.154
   99   1HB   LEU  14           HB2      LEU  14 -19.154   2.969   2.969
  100   2HB   LEU  14           HB1      LEU  14 -18.579   1.316   1.316
  101    HG   LEU  14           HG       LEU  14 -17.208   3.093   3.093
  102   1HD1  LEU  14          HD12      LEU  14 -16.492   0.736   0.736
  103   2HD1  LEU  14          HD11      LEU  14 -15.260   1.885   1.885
  104   3HD1  LEU  14          HD13      LEU  14 -15.545   1.616   1.616
  105   1HD2  LEU  14          HD21      LEU  14 -17.130   4.124   4.124
  106   2HD2  LEU  14          HD23      LEU  14 -16.623   4.879   4.879
  107   3HD2  LEU  14          HD22      LEU  14 -15.506   3.841   3.841
  108    H    SER  15           HN       SER  15 -17.525  -0.189  -0.189
  109    HA   SER  15           HA       SER  15 -14.776   0.218   0.218
  110   1HB   SER  15           HB1      SER  15 -16.069  -2.134  -2.134
  111   2HB   SER  15           HB2      SER  15 -14.597  -2.072  -2.072
  112    HG   SER  15           HG       SER  15 -16.856  -2.878  -2.878
  113    H    GLY  16           HN       GLY  16 -17.286   0.285   0.285
  114   1HA   GLY  16           HA2      GLY  16 -15.562   0.089   0.089
  115   2HA   GLY  16           HA1      GLY  16 -17.230   0.644   0.644
  116    H    ALA  17           HN       ALA  17 -16.854   2.773   2.773
  117    HA   ALA  17           HA       ALA  17 -16.036   4.824   4.824
  118   1HB   ALA  17           HB2      ALA  17 -16.850   4.773   4.773
  119   2HB   ALA  17           HB1      ALA  17 -16.256   6.254   6.254
  120   3HB   ALA  17           HB3      ALA  17 -17.699   5.462   5.462
  121    H    ALA  18           HN       ALA  18 -14.667   3.770   3.770
  122    HA   ALA  18           HA       ALA  18 -12.383   5.349   5.349
  123   1HB   ALA  18           HB1      ALA  18 -13.428   3.503   3.503
  124   2HB   ALA  18           HB3      ALA  18 -11.970   2.688   2.688
  125   3HB   ALA  18           HB2      ALA  18 -11.856   4.281   4.281
  126    H    ALA  19           HN       ALA  19 -13.027   2.260   2.260
  127    HA   ALA  19           HA       ALA  19 -10.326   1.767   1.767
  128   1HB   ALA  19           HB1      ALA  19 -12.404   0.154   0.154
  129   2HB   ALA  19           HB3      ALA  19 -12.597   0.581   0.581
  130   3HB   ALA  19           HB2      ALA  19 -11.098  -0.161  -0.161
  131    H    ARG  20           HN       ARG  20 -12.990   3.553   3.553
  132    HA   ARG  20           HA       ARG  20 -11.971   3.715   3.715
  133   1HB   ARG  20           HB2      ARG  20 -14.125   5.121   5.121
  134   2HB   ARG  20           HB1      ARG  20 -13.612   5.757   5.757
  135   1HG   ARG  20           HG1      ARG  20 -14.158   2.885   2.885
  136   2HG   ARG  20           HG2      ARG  20 -15.556   3.891   3.891
  137   1HD   ARG  20           HD1      ARG  20 -15.732   4.634   4.634
  138   2HD   ARG  20           HD2      ARG  20 -13.999   4.941   4.941
  139    HE   ARG  20           HE       ARG  20 -13.813   2.995   2.995
  140   1HH1  ARG  20          HH11      ARG  20 -16.700   2.841   2.841
  141   2HH1  ARG  20          HH12      ARG  20 -17.199   1.307   1.307
  142   1HH2  ARG  20          HH21      ARG  20 -14.459   0.972   0.972
  143   2HH2  ARG  20          HH22      ARG  20 -15.924   0.242   0.242
  144    H    GLY  21           HN       GLY  21 -11.569   5.579   5.579
  145   1HA   GLY  21           HA1      GLY  21  -9.832   7.049   7.049
  146   2HA   GLY  21           HA2      GLY  21  -9.330   6.980   6.980
  147    H    ASP  22           HN       ASP  22 -12.086   8.146   8.146
  148    HA   ASP  22           HA       ASP  22 -11.919  10.694  10.694
  149   1HB   ASP  22           HB2      ASP  22 -14.650   9.723   9.723
  150   2HB   ASP  22           HB1      ASP  22 -13.818   8.914   8.914
  151    H    VAL  23           HN       VAL  23 -11.228  11.921  11.921
  152    HA   VAL  23           HA       VAL  23 -11.810  11.639  11.639
  153    HB   VAL  23           HB       VAL  23 -10.064  13.127  13.127
  154   1HG1  VAL  23          HG12      VAL  23 -12.173  14.455  14.455
  155   2HG1  VAL  23          HG11      VAL  23 -10.780  15.382  15.382
  156   3HG1  VAL  23          HG13      VAL  23 -10.544  13.955  13.955
  157   1HG2  VAL  23          HG22      VAL  23 -11.366  13.698  13.698
  158   2HG2  VAL  23          HG21      VAL  23 -10.552  15.080  15.080
  159   3HG2  VAL  23          HG23      VAL  23 -12.286  14.854  14.854
  160    H    GLN  24           HN       GLN  24 -13.797  12.861  12.861
  161    HA   GLN  24           HA       GLN  24 -15.585  14.375  14.375
  162   1HB   GLN  24           HB1      GLN  24 -16.314  13.175  13.175
  163   2HB   GLN  24           HB2      GLN  24 -16.880  14.676  14.676
  164   1HG   GLN  24           HG1      GLN  24 -14.300  15.279  15.279
  165   2HG   GLN  24           HG2      GLN  24 -14.389  14.103  14.103
  166   1HE2  GLN  24          HE22      GLN  24 -15.658  16.398  16.398
  167   2HE2  GLN  24          HE21      GLN  24 -14.754  14.961  14.961
  168    H    GLU  25           HN       GLU  25 -15.761  11.157  11.157
  169    HA   GLU  25           HA       GLU  25 -18.268  10.515  10.515
  170   1HB   GLU  25           HB2      GLU  25 -16.210   8.658   8.658
  171   2HB   GLU  25           HB1      GLU  25 -17.894   8.271   8.271
  172   1HG   GLU  25           HG1      GLU  25 -18.565   9.159   9.159
  173   2HG   GLU  25           HG2      GLU  25 -17.630  10.630  10.630
  174    H    VAL  26           HN       VAL  26 -14.908   9.566   9.566
  175    HA   VAL  26           HA       VAL  26 -15.341   7.796   7.796
  176    HB   VAL  26           HB       VAL  26 -13.119   8.429   8.429
  177   1HG1  VAL  26          HG12      VAL  26 -13.232  10.831  10.831
  178   2HG1  VAL  26          HG11      VAL  26 -13.163  10.514  10.514
  179   3HG1  VAL  26          HG13      VAL  26 -11.785  10.113  10.113
  180   1HG2  VAL  26          HG22      VAL  26 -13.742   7.263   7.263
  181   2HG2  VAL  26          HG21      VAL  26 -12.254   7.077   7.077
  182   3HG2  VAL  26          HG23      VAL  26 -12.370   8.328   8.328
  183    H    ARG  27           HN       ARG  27 -15.261  11.318  11.318
  184    HA   ARG  27           HA       ARG  27 -15.395  11.525  11.525
  185   1HB   ARG  27           HB2      ARG  27 -15.814  13.474  13.474
  186   2HB   ARG  27           HB1      ARG  27 -16.099  13.932  13.932
  187   1HG   ARG  27           HG2      ARG  27 -13.751  13.243  13.243
  188   2HG   ARG  27           HG1      ARG  27 -13.508  13.030  13.030
  189   1HD   ARG  27           HD2      ARG  27 -14.405  15.597  15.597
  190   2HD   ARG  27           HD1      ARG  27 -12.738  15.230  15.230
  191    HE   ARG  27           HE       ARG  27 -14.572  14.971  14.971
  192   1HH1  ARG  27          HH21      ARG  27 -12.604  17.188  17.188
  193   2HH1  ARG  27          HH22      ARG  27 -12.459  18.328  18.328
  194   1HH2  ARG  27          HH11      ARG  27 -14.389  16.465  16.465
  195   2HH2  ARG  27          HH12      ARG  27 -13.473  17.917  17.917
  196    H    ARG  28           HN       ARG  28 -17.809  12.354  12.354
  197    HA   ARG  28           HA       ARG  28 -19.963  12.754  12.754
  198   1HB   ARG  28           HB2      ARG  28 -19.641  12.048  12.048
  199   2HB   ARG  28           HB1      ARG  28 -21.229  11.764  11.764
  200   1HG   ARG  28           HG2      ARG  28 -20.573  14.295  14.295
  201   2HG   ARG  28           HG1      ARG  28 -19.953  14.247  14.247
  202   1HD   ARG  28           HD1      ARG  28 -22.398  13.071  13.071
  203   2HD   ARG  28           HD2      ARG  28 -22.714  14.259  14.259
  204    HE   ARG  28           HE       ARG  28 -21.409  15.720  15.720
  205   1HH1  ARG  28          HH21      ARG  28 -24.094  13.519  13.519
  206   2HH1  ARG  28          HH22      ARG  28 -24.806  14.336  14.336
  207   1HH2  ARG  28          HH11      ARG  28 -22.334  16.803  16.803
  208   2HH2  ARG  28          HH12      ARG  28 -23.806  16.204  16.204
  209    H    LEU  29           HN       LEU  29 -18.601   9.747   9.747
  210    HA   LEU  29           HA       LEU  29 -20.807   8.112   8.112
  211   1HB   LEU  29           HB1      LEU  29 -18.071   7.688   7.688
  212   2HB   LEU  29           HB2      LEU  29 -18.725   6.385   6.385
  213    HG   LEU  29           HG       LEU  29 -20.441   7.448   7.448
  214   1HD1  LEU  29          HD13      LEU  29 -17.918   5.879   5.879
  215   2HD1  LEU  29          HD12      LEU  29 -19.281   5.783   5.783
  216   3HD1  LEU  29          HD11      LEU  29 -18.474   7.327   7.327
  217   1HD2  LEU  29          HD21      LEU  29 -20.007   4.895   4.895
  218   2HD2  LEU  29          HD23      LEU  29 -21.507   5.740   5.740
  219   3HD2  LEU  29          HD22      LEU  29 -20.664   4.831   4.831
  220    H    LEU  30           HN       LEU  30 -17.496   8.105   8.105
  221    HA   LEU  30           HA       LEU  30 -18.328   6.905   6.905
  222   1HB   LEU  30           HB2      LEU  30 -15.743   8.348   8.348
  223   2HB   LEU  30           HB1      LEU  30 -16.036   7.199   7.199
  224    HG   LEU  30           HG       LEU  30 -16.363   6.355   6.355
  225   1HD1  LEU  30          HD11      LEU  30 -14.109   7.497   7.497
  226   2HD1  LEU  30          HD13      LEU  30 -13.752   6.114   6.114
  227   3HD1  LEU  30          HD12      LEU  30 -14.096   5.870   5.870
  228   1HD2  LEU  30          HD21      LEU  30 -15.665   4.950   4.950
  229   2HD2  LEU  30          HD23      LEU  30 -17.163   4.816   4.816
  230   3HD2  LEU  30          HD22      LEU  30 -15.658   4.182   4.182
  231    H    HIS  31           HN       HIS  31 -17.461  10.215  10.215
  232    HA   HIS  31           HA       HIS  31 -17.733  11.256  11.256
  233   1HB   HIS  31           HB2      HIS  31 -16.533  12.187  12.187
  234   2HB   HIS  31           HB1      HIS  31 -18.046  13.083  13.083
  235    HD2  HIS  31           HD2      HIS  31 -14.684  13.257  13.257
  236    HE1  HIS  31           HE1      HIS  31 -17.257  15.937  15.937
  237    HE2  HIS  31           HE2      HIS  31 -14.889  15.046  15.046
  238    H    ARG  32           HN       ARG  32 -20.027  10.050  10.050
  239    HA   ARG  32           HA       ARG  32 -22.127  11.501  11.501
  240   1HB   ARG  32           HB1      ARG  32 -21.407  12.396  12.396
  241   2HB   ARG  32           HB2      ARG  32 -22.708  11.274  11.274
  242   1HG   ARG  32           HG1      ARG  32 -24.132  12.904  12.904
  243   2HG   ARG  32           HG2      ARG  32 -23.655  12.763  12.763
  244   1HD   ARG  32           HD2      ARG  32 -23.028  14.901  14.901
  245   2HD   ARG  32           HD1      ARG  32 -21.629  14.269  14.269
  246    HE   ARG  32           HE       ARG  32 -22.432  15.281  15.281
  247   1HH1  ARG  32          HH11      ARG  32 -25.095  14.719  14.719
  248   2HH1  ARG  32          HH12      ARG  32 -26.255  15.520  15.520
  249   1HH2  ARG  32          HH21      ARG  32 -23.949  16.340  16.340
  250   2HH2  ARG  32          HH22      ARG  32 -25.604  16.441  16.441
  251    H    GLU  33           HN       GLU  33 -22.140   9.496   9.496
  252    HA   GLU  33           HA       GLU  33 -24.315   7.969   7.969
  253   1HB   GLU  33           HB1      GLU  33 -22.745   7.883   7.883
  254   2HB   GLU  33           HB2      GLU  33 -21.776   6.746   6.746
  255   1HG   GLU  33           HG1      GLU  33 -24.582   6.015   6.015
  256   2HG   GLU  33           HG2      GLU  33 -23.871   6.126   6.126
  257    H    LEU  34           HN       LEU  34 -21.258   7.751   7.751
  258    HA   LEU  34           HA       LEU  34 -20.507   6.479   6.479
  259   1HB   LEU  34           HB1      LEU  34 -23.419   6.776   6.776
  260   2HB   LEU  34           HB2      LEU  34 -22.602   5.546   5.546
  261    HG   LEU  34           HG       LEU  34 -21.985   8.499   8.499
  262   1HD1  LEU  34          HD13      LEU  34 -23.455   6.681   6.681
  263   2HD1  LEU  34          HD12      LEU  34 -22.426   7.899   7.899
  264   3HD1  LEU  34          HD11      LEU  34 -23.713   8.390   8.390
  265   1HD2  LEU  34          HD21      LEU  34 -20.355   6.206   6.206
  266   2HD2  LEU  34          HD23      LEU  34 -19.891   7.881   7.881
  267   3HD2  LEU  34          HD22      LEU  34 -20.540   7.416   7.416
  268    H    VAL  35           HN       VAL  35 -20.237   5.050   5.050
  269    HA   VAL  35           HA       VAL  35 -21.669   2.534   2.534
  270    HB   VAL  35           HB       VAL  35 -19.399   3.279   3.279
  271   1HG1  VAL  35          HG21      VAL  35 -21.237   0.937   0.937
  272   2HG1  VAL  35          HG23      VAL  35 -20.636   1.437   1.437
  273   3HG1  VAL  35          HG22      VAL  35 -19.502   0.979   0.979
  274   1HG2  VAL  35          HG11      VAL  35 -21.299   4.789   4.789
  275   2HG2  VAL  35          HG13      VAL  35 -21.122   3.717   3.717
  276   3HG2  VAL  35          HG12      VAL  35 -22.376   3.407   3.407
  277    H    HIS  36           HN       HIS  36 -20.950   0.741   0.741
  278    HA   HIS  36           HA       HIS  36 -18.913   0.681   0.681
  279   1HB   HIS  36           HB2      HIS  36 -20.795  -1.120  -1.120
  280   2HB   HIS  36           HB1      HIS  36 -19.281  -1.902  -1.902
  281    HD2  HIS  36           HD2      HIS  36 -19.296   0.144   0.144
  282    HE1  HIS  36           HE1      HIS  36 -19.397  -3.975  -3.975
  283    HE2  HIS  36           HE2      HIS  36 -19.293  -1.619  -1.619
  284    HA   PRO  37           HA       PRO  37 -15.225   0.662   0.662
  285   1HB   PRO  37           HB1      PRO  37 -13.471   0.032   0.032
  286   2HB   PRO  37           HB2      PRO  37 -14.214   1.630   1.630
  287   1HG   PRO  37           HG1      PRO  37 -14.956  -0.658  -0.658
  288   2HG   PRO  37           HG2      PRO  37 -14.853   1.071   1.071
  289   1HD   PRO  37           HD2      PRO  37 -17.205  -0.189  -0.189
  290   2HD   PRO  37           HD1      PRO  37 -16.925   1.520   1.520
  291    H    ASP  38           HN       ASP  38 -16.414  -2.055  -2.055
  292    HA   ASP  38           HA       ASP  38 -14.429  -3.884  -3.884
  293   1HB   ASP  38           HB1      ASP  38 -16.586  -5.302  -5.302
  294   2HB   ASP  38           HB2      ASP  38 -16.261  -3.899  -3.899
  295    H    ALA  39           HN       ALA  39 -17.005  -2.408  -2.408
  296    HA   ALA  39           HA       ALA  39 -18.680  -4.242  -4.242
  297   1HB   ALA  39           HB3      ALA  39 -17.778  -1.575  -1.575
  298   2HB   ALA  39           HB2      ALA  39 -18.151  -2.523  -2.523
  299   3HB   ALA  39           HB1      ALA  39 -19.372  -2.309  -2.309
  300    H    LEU  40           HN       LEU  40 -18.402  -6.011  -6.011
  301    HA   LEU  40           HA       LEU  40 -15.934  -6.278  -6.278
  302   1HB   LEU  40           HB1      LEU  40 -17.526  -8.191  -8.191
  303   2HB   LEU  40           HB2      LEU  40 -16.776  -8.809  -8.809
  304    HG   LEU  40           HG       LEU  40 -14.705  -7.449  -7.449
  305   1HD1  LEU  40          HD21      LEU  40 -16.542  -7.546  -7.546
  306   2HD1  LEU  40          HD23      LEU  40 -15.657  -9.045  -9.045
  307   3HD1  LEU  40          HD22      LEU  40 -14.797  -7.506  -7.506
  308   1HD2  LEU  40          HD12      LEU  40 -15.409 -10.104 -10.104
  309   2HD2  LEU  40          HD11      LEU  40 -13.801  -9.420  -9.420
  310   3HD2  LEU  40          HD13      LEU  40 -14.667 -10.139 -10.139
  311    H    ASN  41           HN       ASN  41 -16.094  -6.422  -6.422
  312    HA   ASN  41           HA       ASN  41 -18.552  -6.111  -6.111
  313   1HB   ASN  41           HB2      ASN  41 -16.041  -7.155  -7.155
  314   2HB   ASN  41           HB1      ASN  41 -17.310  -6.165  -6.165
  315   1HD2  ASN  41          HD22      ASN  41 -14.226  -4.488  -4.488
  316   2HD2  ASN  41          HD21      ASN  41 -14.438  -6.200  -6.200
  317    H    ARG  42           HN       ARG  42 -18.400  -7.834  -7.834
  318    HA   ARG  42           HA       ARG  42 -19.607 -10.194 -10.194
  319   1HB   ARG  42           HB2      ARG  42 -20.018  -8.750  -8.750
  320   2HB   ARG  42           HB1      ARG  42 -19.185 -10.179 -10.179
  321   1HG   ARG  42           HG2      ARG  42 -21.519 -10.443 -10.443
  322   2HG   ARG  42           HG1      ARG  42 -21.759 -10.182 -10.182
  323   1HD   ARG  42           HD1      ARG  42 -19.798 -12.212 -12.212
  324   2HD   ARG  42           HD2      ARG  42 -21.174 -12.602 -12.602
  325    HE   ARG  42           HE       ARG  42 -22.154 -11.876 -11.876
  326   1HH1  ARG  42          HH21      ARG  42 -20.255 -14.402 -14.402
  327   2HH1  ARG  42          HH22      ARG  42 -20.747 -15.610 -15.610
  328   1HH2  ARG  42          HH11      ARG  42 -22.810 -13.459 -13.459
  329   2HH2  ARG  42          HH12      ARG  42 -22.200 -15.074 -15.074
  330    H    PHE  43           HN       PHE  43 -16.484  -9.364  -9.364
  331    HA   PHE  43           HA       PHE  43 -15.663 -12.023 -12.023
  332   1HB   PHE  43           HB1      PHE  43 -14.743  -9.553  -9.553
  333   2HB   PHE  43           HB2      PHE  43 -13.579 -10.009 -10.009
  334    HD1  PHE  43           HD1      PHE  43 -15.087 -11.091 -11.091
  335    HD2  PHE  43           HD2      PHE  43 -11.869 -11.550 -11.550
  336    HE1  PHE  43           HE1      PHE  43 -13.878 -12.472 -12.472
  337    HE2  PHE  43           HE2      PHE  43 -10.653 -12.931 -12.931
  338    HZ   PHE  43           HZ       PHE  43 -11.657 -13.392 -13.392
  339    H    GLY  44           HN       GLY  44 -15.795 -10.030 -10.030
  340   1HA   GLY  44           HA1      GLY  44 -15.598 -10.909 -10.909
  341   2HA   GLY  44           HA2      GLY  44 -14.591 -12.201 -12.201
  342    H    LYS  45           HN       LYS  45 -14.064  -8.852  -8.852
  343    HA   LYS  45           HA       LYS  45 -11.515  -8.961  -8.961
  344   1HB   LYS  45           HB2      LYS  45 -12.401  -7.517  -7.517
  345   2HB   LYS  45           HB1      LYS  45 -11.022  -6.932  -6.932
  346   1HG   LYS  45           HG2      LYS  45 -10.292  -9.477  -9.477
  347   2HG   LYS  45           HG1      LYS  45 -11.308  -9.371  -9.371
  348   1HD   LYS  45           HD1      LYS  45  -9.984  -7.258  -7.258
  349   2HD   LYS  45           HD2      LYS  45  -8.841  -7.793  -7.793
  350   1HE   LYS  45           HE2      LYS  45  -8.112  -8.528  -8.528
  351   2HE   LYS  45           HE1      LYS  45  -8.557  -9.915  -9.915
  352   1HZ   LYS  45           HZ2      LYS  45 -10.416  -8.675  -8.675
  353   2HZ   LYS  45           HZ1      LYS  45  -9.382  -9.949  -9.949
  354   3HZ   LYS  45           HZ3      LYS  45 -10.572 -10.169 -10.169
  355    H    THR  46           HN       THR  46 -10.783  -7.109  -7.109
  356    HA   THR  46           HA       THR  46 -12.946  -5.687  -5.687
  357    HB   THR  46           HB       THR  46 -10.485  -4.757  -4.757
  358    HG1  THR  46           HG1      THR  46  -9.274  -6.566  -6.566
  359   1HG2  THR  46          HG21      THR  46 -12.754  -6.193  -6.193
  360   2HG2  THR  46          HG23      THR  46 -11.279  -6.920  -6.920
  361   3HG2  THR  46          HG22      THR  46 -11.596  -5.203  -5.203
  362    H    ALA  47           HN       ALA  47 -12.581  -3.313  -3.313
  363    HA   ALA  47           HA       ALA  47 -12.577  -1.839  -1.839
  364   1HB   ALA  47           HB2      ALA  47 -12.839  -1.274  -1.274
  365   2HB   ALA  47           HB1      ALA  47 -12.085   0.037   0.037
  366   3HB   ALA  47           HB3      ALA  47 -13.675  -0.561  -0.561
  367    H    LEU  48           HN       LEU  48 -10.137  -1.923  -1.923
  368    HA   LEU  48           HA       LEU  48  -8.272  -0.312  -0.312
  369   1HB   LEU  48           HB1      LEU  48  -8.372  -1.810  -1.810
  370   2HB   LEU  48           HB2      LEU  48  -6.781  -1.802  -1.802
  371    HG   LEU  48           HG       LEU  48  -8.360   0.713   0.713
  372   1HD1  LEU  48          HD12      LEU  48  -7.433  -0.936  -0.936
  373   2HD1  LEU  48          HD11      LEU  48  -6.074   0.162   0.162
  374   3HD1  LEU  48          HD13      LEU  48  -7.668   0.806   0.806
  375   1HD2  LEU  48          HD22      LEU  48  -5.769   0.074   0.074
  376   2HD2  LEU  48          HD21      LEU  48  -6.766   1.520   1.520
  377   3HD2  LEU  48          HD23      LEU  48  -5.702   1.326   1.326
  378    H    GLN  49           HN       GLN  49  -8.982  -3.713  -3.713
  379    HA   GLN  49           HA       GLN  49  -6.526  -4.564  -4.564
  380   1HB   GLN  49           HB2      GLN  49  -8.117  -6.021  -6.021
  381   2HB   GLN  49           HB1      GLN  49  -9.180  -6.001  -6.001
  382   1HG   GLN  49           HG2      GLN  49  -7.672  -7.213  -7.213
  383   2HG   GLN  49           HG1      GLN  49  -6.329  -6.897  -6.897
  384   1HE2  GLN  49          HE22      GLN  49  -7.023 -10.287 -10.287
  385   2HE2  GLN  49          HE21      GLN  49  -6.147  -9.282  -9.282
  386    H    VAL  50           HN       VAL  50  -8.976  -2.708  -2.708
  387    HA   VAL  50           HA       VAL  50  -8.318  -3.468  -3.468
  388    HB   VAL  50           HB       VAL  50 -10.646  -2.965  -2.965
  389   1HG1  VAL  50          HG11      VAL  50  -9.655  -5.277  -5.277
  390   2HG1  VAL  50          HG13      VAL  50 -11.280  -5.052  -5.052
  391   3HG1  VAL  50          HG12      VAL  50 -11.032  -5.150  -5.150
  392   1HG2  VAL  50          HG23      VAL  50 -10.979  -2.610  -2.610
  393   2HG2  VAL  50          HG22      VAL  50 -11.521  -1.569  -1.569
  394   3HG2  VAL  50          HG21      VAL  50 -12.339  -3.102  -3.102
  395    H    MET  51           HN       MET  51  -9.466  -0.984  -0.984
  396    HA   MET  51           HA       MET  51  -9.867   1.203   1.203
  397   1HB   MET  51           HB1      MET  51  -9.615   2.342   2.342
  398   2HB   MET  51           HB2      MET  51  -9.276   0.778   0.778
  399   1HG   MET  51           HG1      MET  51  -7.177   2.637   2.637
  400   2HG   MET  51           HG2      MET  51  -7.659   2.555   2.555
  401   1HE   MET  51           HE3      MET  51  -5.092   2.605   2.605
  402   2HE   MET  51           HE2      MET  51  -4.320   1.161   1.161
  403   3HE   MET  51           HE1      MET  51  -4.263   1.480   1.480
  404    H    MET  52           HN       MET  52  -8.789   2.622   2.622
  405    HA   MET  52           HA       MET  52  -6.118   1.821   1.821
  406   1HB   MET  52           HB1      MET  52  -6.535   2.907   2.907
  407   2HB   MET  52           HB2      MET  52  -8.146   2.371   2.371
  408   1HG   MET  52           HG2      MET  52  -8.707   4.560   4.560
  409   2HG   MET  52           HG1      MET  52  -7.057   5.122   5.122
  410   1HE   MET  52           HE2      MET  52  -5.917   5.287   5.287
  411   2HE   MET  52           HE1      MET  52  -6.467   5.054   5.054
  412   3HE   MET  52           HE3      MET  52  -6.730   6.600   6.600
  413    H    PHE  53           HN       PHE  53  -4.354   2.834   2.834
  414    HA   PHE  53           HA       PHE  53  -4.357   4.893   4.893
  415   1HB   PHE  53           HB2      PHE  53  -2.129   4.143   4.143
  416   2HB   PHE  53           HB1      PHE  53  -1.946   5.071   5.071
  417    HD1  PHE  53           HD2      PHE  53  -2.849   1.741   1.741
  418    HD2  PHE  53           HD1      PHE  53  -1.725   4.012   4.012
  419    HE1  PHE  53           HE2      PHE  53  -2.501  -0.345  -0.345
  420    HE2  PHE  53           HE1      PHE  53  -1.375   1.928   1.928
  421    HZ   PHE  53           HZ       PHE  53  -1.793  -0.262  -0.262
  422    H    GLY  54           HN       GLY  54  -4.845   5.040   5.040
  423   1HA   GLY  54           HA1      GLY  54  -3.800   7.304   7.304
  424   2HA   GLY  54           HA2      GLY  54  -5.488   6.894   6.894
  425    H    SER  55           HN       SER  55  -6.421   7.212   7.212
  426    HA   SER  55           HA       SER  55  -6.158  10.129  10.129
  427   1HB   SER  55           HB1      SER  55  -8.478   8.264   8.264
  428   2HB   SER  55           HB2      SER  55  -8.432   9.873   9.873
  429    HG   SER  55           HG       SER  55  -7.844   9.799   9.799
  430    HA   PRO  56           HA       PRO  56  -4.319   9.166   9.166
  431   1HB   PRO  56           HB2      PRO  56  -4.050  11.705  11.705
  432   2HB   PRO  56           HB1      PRO  56  -3.008  11.020  11.020
  433   1HG   PRO  56           HG2      PRO  56  -5.391  12.811  12.811
  434   2HG   PRO  56           HG1      PRO  56  -3.836  12.873  12.873
  435   1HD   PRO  56           HD1      PRO  56  -6.093  11.795  11.795
  436   2HD   PRO  56           HD2      PRO  56  -4.457  11.250  11.250
  437    H    ALA  57           HN       ALA  57  -7.123  11.277  11.277
  438    HA   ALA  57           HA       ALA  57  -7.844  11.417  11.417
  439   1HB   ALA  57           HB3      ALA  57  -9.154  11.988  11.988
  440   2HB   ALA  57           HB2      ALA  57 -10.228  11.679  11.679
  441   3HB   ALA  57           HB1      ALA  57  -9.035  12.974  12.974
  442    H    VAL  58           HN       VAL  58  -8.659   9.093   9.093
  443    HA   VAL  58           HA       VAL  58 -10.594   7.653   7.653
  444    HB   VAL  58           HB       VAL  58 -10.233   5.881   5.881
  445   1HG1  VAL  58          HG23      VAL  58 -10.587   8.637   8.637
  446   2HG1  VAL  58          HG22      VAL  58  -9.902   7.687   7.687
  447   3HG1  VAL  58          HG21      VAL  58 -11.423   7.196   7.196
  448   1HG2  VAL  58          HG13      VAL  58  -7.559   6.786   6.786
  449   2HG2  VAL  58          HG12      VAL  58  -8.226   5.376   5.376
  450   3HG2  VAL  58          HG11      VAL  58  -8.149   6.929   6.929
  451    H    ALA  59           HN       ALA  59  -7.113   7.630   7.630
  452    HA   ALA  59           HA       ALA  59  -6.706   5.153   5.153
  453   1HB   ALA  59           HB1      ALA  59  -5.111   7.532   7.532
  454   2HB   ALA  59           HB3      ALA  59  -4.607   6.666   6.666
  455   3HB   ALA  59           HB2      ALA  59  -4.684   5.824   5.824
  456    H    LEU  60           HN       LEU  60  -6.400   8.392   8.392
  457    HA   LEU  60           HA       LEU  60  -6.497   7.469   7.469
  458   1HB   LEU  60           HB2      LEU  60  -5.650   9.711   9.711
  459   2HB   LEU  60           HB1      LEU  60  -7.327  10.221  10.221
  460    HG   LEU  60           HG       LEU  60  -6.173   9.103   9.103
  461   1HD1  LEU  60          HD11      LEU  60  -5.279  11.562  11.562
  462   2HD1  LEU  60          HD13      LEU  60  -5.731  11.742  11.742
  463   3HD1  LEU  60          HD12      LEU  60  -4.483  10.584  10.584
  464   1HD2  LEU  60          HD22      LEU  60  -8.153  11.294  11.294
  465   2HD2  LEU  60          HD21      LEU  60  -8.541   9.646   9.646
  466   3HD2  LEU  60          HD23      LEU  60  -7.702  10.727  10.727
  467    H    GLU  61           HN       GLU  61  -8.994   8.411   8.411
  468    HA   GLU  61           HA       GLU  61 -11.114   8.739   8.739
  469   1HB   GLU  61           HB2      GLU  61 -10.916   8.161   8.161
  470   2HB   GLU  61           HB1      GLU  61 -12.474   7.970   7.970
  471   1HG   GLU  61           HG2      GLU  61 -12.823  10.138  10.138
  472   2HG   GLU  61           HG1      GLU  61 -11.428  10.447  10.447
  473    H    LEU  62           HN       LEU  62 -10.236   5.916   5.916
  474    HA   LEU  62           HA       LEU  62 -12.156   4.180   4.180
  475   1HB   LEU  62           HB1      LEU  62  -9.795   3.955   3.955
  476   2HB   LEU  62           HB2      LEU  62 -10.113   2.520   2.520
  477    HG   LEU  62           HG       LEU  62 -12.020   3.837   3.837
  478   1HD1  LEU  62          HD13      LEU  62 -10.503   1.235   1.235
  479   2HD1  LEU  62          HD12      LEU  62 -11.766   1.705   1.705
  480   3HD1  LEU  62          HD11      LEU  62 -10.271   2.636   2.636
  481   1HD2  LEU  62          HD21      LEU  62 -12.428   1.884   1.884
  482   2HD2  LEU  62          HD23      LEU  62 -13.584   2.936   2.936
  483   3HD2  LEU  62          HD22      LEU  62 -13.091   1.416   1.416
  484    H    LEU  63           HN       LEU  63  -8.741   4.704   4.704
  485    HA   LEU  63           HA       LEU  63  -8.556   2.744   2.744
  486   1HB   LEU  63           HB2      LEU  63  -6.920   4.868   4.868
  487   2HB   LEU  63           HB1      LEU  63  -6.802   4.824   4.824
  488    HG   LEU  63           HG       LEU  63  -6.164   2.590   2.590
  489   1HD1  LEU  63          HD13      LEU  63  -4.615   4.683   4.683
  490   2HD1  LEU  63          HD12      LEU  63  -4.195   3.396   3.396
  491   3HD1  LEU  63          HD11      LEU  63  -4.014   3.139   3.139
  492   1HD2  LEU  63          HD23      LEU  63  -6.494   2.586   2.586
  493   2HD2  LEU  63          HD22      LEU  63  -7.137   1.456   1.456
  494   3HD2  LEU  63          HD21      LEU  63  -5.416   1.447   1.447
  495    H    LYS  64           HN       LYS  64  -9.159   6.245   6.245
  496    HA   LYS  64           HA       LYS  64  -9.423   6.344   6.344
  497   1HB   LYS  64           HB1      LYS  64  -9.066   8.328   8.328
  498   2HB   LYS  64           HB2      LYS  64 -10.706   8.154   8.154
  499   1HG   LYS  64           HG2      LYS  64 -11.654   8.947   8.947
  500   2HG   LYS  64           HG1      LYS  64 -10.350   8.352   8.352
  501   1HD   LYS  64           HD1      LYS  64  -9.780  10.532  10.532
  502   2HD   LYS  64           HD2      LYS  64  -9.011  10.183  10.183
  503   1HE   LYS  64           HE2      LYS  64 -10.293  11.735  11.735
  504   2HE   LYS  64           HE1      LYS  64 -11.702  10.740  10.740
  505   1HZ   LYS  64           HZ3      LYS  64 -10.728  12.298  12.298
  506   2HZ   LYS  64           HZ2      LYS  64 -11.304  13.224  13.224
  507   3HZ   LYS  64           HZ1      LYS  64 -12.310  12.078  12.078
  508    H    GLN  65           HN       GLN  65 -11.440   4.974   4.974
  509    HA   GLN  65           HA       GLN  65 -13.938   5.410   5.410
  510   1HB   GLN  65           HB1      GLN  65 -13.179   4.549   4.549
  511   2HB   GLN  65           HB2      GLN  65 -13.933   3.144   3.144
  512   1HG   GLN  65           HG1      GLN  65 -15.119   5.835   5.835
  513   2HG   GLN  65           HG2      GLN  65 -15.673   4.247   4.247
  514   1HE2  GLN  65          HE22      GLN  65 -16.922   3.464   3.464
  515   2HE2  GLN  65          HE21      GLN  65 -15.830   2.780   2.780
  516    H    GLY  66           HN       GLY  66 -11.483   2.904   2.904
  517   1HA   GLY  66           HA1      GLY  66 -11.286   1.668   1.668
  518   2HA   GLY  66           HA2      GLY  66 -13.019   1.410   1.410
  519    H    ALA  67           HN       ALA  67 -10.496   1.156   1.156
  520    HA   ALA  67           HA       ALA  67 -11.440  -1.559  -1.559
  521   1HB   ALA  67           HB1      ALA  67 -10.311   0.616   0.616
  522   2HB   ALA  67           HB3      ALA  67  -9.691  -0.987  -0.987
  523   3HB   ALA  67           HB2      ALA  67 -11.426  -0.673  -0.673
  524    H    SER  68           HN       SER  68  -9.331  -2.716  -2.716
  525    HA   SER  68           HA       SER  68  -7.104  -2.618  -2.618
  526   1HB   SER  68           HB1      SER  68  -8.204  -5.256  -5.256
  527   2HB   SER  68           HB2      SER  68  -7.117  -4.941  -4.941
  528    HG   SER  68           HG       SER  68  -8.836  -4.850  -4.850
  529    HA   PRO  69           HA       PRO  69  -5.083  -2.577  -2.577
  530   1HB   PRO  69           HB1      PRO  69  -2.602  -2.041  -2.041
  531   2HB   PRO  69           HB2      PRO  69  -3.853  -0.802  -0.802
  532   1HG   PRO  69           HG1      PRO  69  -2.978  -2.334  -2.334
  533   2HG   PRO  69           HG2      PRO  69  -3.347  -0.607  -0.607
  534   1HD   PRO  69           HD2      PRO  69  -5.104  -2.399  -2.399
  535   2HD   PRO  69           HD1      PRO  69  -5.620  -0.953  -0.953
  536    H    ASN  70           HN       ASN  70  -4.204  -4.467  -4.467
  537    HA   ASN  70           HA       ASN  70  -2.264  -6.113  -6.113
  538   1HB   ASN  70           HB2      ASN  70  -3.888  -6.306  -6.306
  539   2HB   ASN  70           HB1      ASN  70  -2.957  -7.698  -7.698
  540   1HD2  ASN  70          HD22      ASN  70  -1.178  -4.706  -4.706
  541   2HD2  ASN  70          HD21      ASN  70  -2.889  -4.859  -4.859
  542    H    VAL  71           HN       VAL  71  -3.468  -6.477  -6.477
  543    HA   VAL  71           HA       VAL  71  -5.085  -8.915  -8.915
  544    HB   VAL  71           HB       VAL  71  -6.722  -8.187  -8.187
  545   1HG1  VAL  71          HG22      VAL  71  -6.138  -6.002  -6.002
  546   2HG1  VAL  71          HG21      VAL  71  -7.642  -6.134  -6.134
  547   3HG1  VAL  71          HG23      VAL  71  -7.185  -7.404  -7.404
  548   1HG2  VAL  71          HG11      VAL  71  -4.688  -6.222  -6.222
  549   2HG2  VAL  71          HG13      VAL  71  -5.976  -6.933  -6.933
  550   3HG2  VAL  71          HG12      VAL  71  -6.320  -5.558  -5.558
  551    H    GLN  72           HN       GLN  72  -4.573 -10.458 -10.458
  552    HA   GLN  72           HA       GLN  72  -2.902  -9.720  -9.720
  553   1HB   GLN  72           HB2      GLN  72  -2.411 -12.275 -12.275
  554   2HB   GLN  72           HB1      GLN  72  -1.333 -11.396 -11.396
  555   1HG   GLN  72           HG1      GLN  72  -0.763  -9.845  -9.845
  556   2HG   GLN  72           HG2      GLN  72  -2.189 -10.198 -10.198
  557   1HE2  GLN  72          HE22      GLN  72   1.011 -11.710 -11.710
  558   2HE2  GLN  72          HE21      GLN  72   0.671 -10.153 -10.153
  559    H    ASP  73           HN       ASP  73  -2.775 -11.553 -11.553
  560    HA   ASP  73           HA       ASP  73  -5.083 -13.328 -13.328
  561   1HB   ASP  73           HB1      ASP  73  -5.302 -12.426 -12.426
  562   2HB   ASP  73           HB2      ASP  73  -6.269 -11.816 -11.816
  563    H    ALA  74           HN       ALA  74  -2.846 -12.143 -12.143
  564    HA   ALA  74           HA       ALA  74  -2.400 -14.418 -14.418
  565   1HB   ALA  74           HB1      ALA  74  -0.504 -12.206 -12.206
  566   2HB   ALA  74           HB3      ALA  74  -0.012 -13.541 -13.541
  567   3HB   ALA  74           HB2      ALA  74  -1.349 -12.495 -12.495
  568    H    SER  75           HN       SER  75  -1.201 -13.688 -13.688
  569    HA   SER  75           HA       SER  75  -0.844 -16.203 -16.203
  570   1HB   SER  75           HB2      SER  75   0.739 -17.024 -17.024
  571   2HB   SER  75           HB1      SER  75   1.389 -15.426 -15.426
  572    HG   SER  75           HG       SER  75   2.702 -15.551 -15.551
  573    H    GLY  76           HN       GLY  76   0.420 -12.965 -12.965
  574   1HA   GLY  76           HA1      GLY  76   0.192 -12.443 -12.443
  575   2HA   GLY  76           HA2      GLY  76   1.836 -13.018 -13.018
  576    H    THR  77           HN       THR  77  -0.069 -11.089 -11.089
  577    HA   THR  77           HA       THR  77   1.935  -8.950  -8.950
  578    HB   THR  77           HB       THR  77   0.335  -9.911  -9.911
  579    HG1  THR  77           HG1      THR  77   2.548  -9.669  -9.669
  580   1HG2  THR  77          HG21      THR  77   1.336  -7.181  -7.181
  581   2HG2  THR  77          HG23      THR  77   1.695  -7.894  -7.894
  582   3HG2  THR  77          HG22      THR  77   0.023  -7.751  -7.751
  583    H    SER  78           HN       SER  78   1.217  -7.277  -7.277
  584    HA   SER  78           HA       SER  78  -1.625  -6.729  -6.729
  585   1HB   SER  78           HB2      SER  78   0.104  -4.757  -4.757
  586   2HB   SER  78           HB1      SER  78  -1.091  -5.825  -5.825
  587    HG   SER  78           HG       SER  78   1.031  -6.243  -6.243
  588    HA   PRO  79           HA       PRO  79  -2.091  -3.305  -3.305
  589   1HB   PRO  79           HB1      PRO  79  -2.656  -1.162  -1.162
  590   2HB   PRO  79           HB2      PRO  79  -3.837  -2.343  -2.343
  591   1HG   PRO  79           HG1      PRO  79  -2.390  -2.219  -2.219
  592   2HG   PRO  79           HG2      PRO  79  -4.070  -2.679  -2.679
  593   1HD   PRO  79           HD1      PRO  79  -2.192  -4.520  -4.520
  594   2HD   PRO  79           HD2      PRO  79  -3.480  -4.818  -4.818
  595    H    VAL  80           HN       VAL  80  -0.221  -2.408  -2.408
  596    HA   VAL  80           HA       VAL  80   1.144  -0.228  -0.228
  597    HB   VAL  80           HB       VAL  80   2.630  -0.435  -0.435
  598   1HG1  VAL  80          HG22      VAL  80   0.146  -0.236  -0.236
  599   2HG1  VAL  80          HG21      VAL  80   0.259  -1.914  -1.914
  600   3HG1  VAL  80          HG23      VAL  80   1.238  -0.673  -0.673
  601   1HG2  VAL  80          HG11      VAL  80   3.469  -2.670  -2.670
  602   2HG2  VAL  80          HG13      VAL  80   3.042  -2.514  -2.514
  603   3HG2  VAL  80          HG12      VAL  80   1.966  -3.371  -3.371
  604    H    HIS  81           HN       HIS  81   1.970  -3.676  -3.676
  605    HA   HIS  81           HA       HIS  81   4.498  -3.512  -3.512
  606   1HB   HIS  81           HB2      HIS  81   2.349  -5.595  -5.595
  607   2HB   HIS  81           HB1      HIS  81   4.033  -5.787  -5.787
  608    HD2  HIS  81           HD2      HIS  81   5.778  -6.494  -6.494
  609    HE1  HIS  81           HE1      HIS  81   2.903  -6.549  -6.549
  610    HE2  HIS  81           HE2      HIS  81   5.334  -6.960  -6.960
  611    H    ASP  82           HN       ASP  82   1.389  -3.856  -3.856
  612    HA   ASP  82           HA       ASP  82   2.546  -3.570  -3.570
  613   1HB   ASP  82           HB2      ASP  82  -0.210  -2.823  -2.823
  614   2HB   ASP  82           HB1      ASP  82  -0.021  -4.167  -4.167
  615    H    ALA  83           HN       ALA  83   1.245  -1.348  -1.348
  616    HA   ALA  83           HA       ALA  83   0.914   0.882   0.882
  617   1HB   ALA  83           HB2      ALA  83   0.410   0.316   0.316
  618   2HB   ALA  83           HB1      ALA  83   1.609   1.608   1.608
  619   3HB   ALA  83           HB3      ALA  83   0.096   1.839   1.839
  620    H    ALA  84           HN       ALA  84   3.684  -0.537  -0.537
  621    HA   ALA  84           HA       ALA  84   5.376   1.759   1.759
  622   1HB   ALA  84           HB2      ALA  84   5.774  -0.094  -0.094
  623   2HB   ALA  84           HB1      ALA  84   6.146  -1.149  -1.149
  624   3HB   ALA  84           HB3      ALA  84   7.178   0.238   0.238
  625    H    ARG  85           HN       ARG  85   5.580  -1.320  -1.320
  626    HA   ARG  85           HA       ARG  85   7.344  -0.390  -0.390
  627   1HB   ARG  85           HB2      ARG  85   7.085  -2.442  -2.442
  628   2HB   ARG  85           HB1      ARG  85   6.555  -2.810  -2.810
  629   1HG   ARG  85           HG2      ARG  85   4.238  -1.998  -1.998
  630   2HG   ARG  85           HG1      ARG  85   5.089  -2.913  -2.913
  631   1HD   ARG  85           HD2      ARG  85   5.111  -4.153  -4.153
  632   2HD   ARG  85           HD1      ARG  85   3.511  -4.004  -4.004
  633    HE   ARG  85           HE       ARG  85   5.553  -5.821  -5.821
  634   1HH1  ARG  85          HH21      ARG  85   2.991  -3.849  -3.849
  635   2HH1  ARG  85          HH22      ARG  85   2.733  -4.862  -4.862
  636   1HH2  ARG  85          HH11      ARG  85   5.223  -7.162  -7.162
  637   2HH2  ARG  85          HH12      ARG  85   4.003  -6.745  -6.745
  638    H    THR  86           HN       THR  86   3.908  -0.048  -0.048
  639    HA   THR  86           HA       THR  86   3.292   0.485   0.485
  640    HB   THR  86           HB       THR  86   1.313   1.759   1.759
  641    HG1  THR  86           HG1      THR  86   2.511   1.874   1.874
  642   1HG2  THR  86          HG23      THR  86   1.862  -1.154  -1.154
  643   2HG2  THR  86          HG22      THR  86   0.439  -0.521  -0.521
  644   3HG2  THR  86          HG21      THR  86   0.636  -0.270  -0.270
  645    H    GLY  87           HN       GLY  87   4.362   2.538   2.538
  646   1HA   GLY  87           HA1      GLY  87   5.549   4.545   4.545
  647   2HA   GLY  87           HA2      GLY  87   5.101   4.589   4.589
  648    H    PHE  88           HN       PHE  88   3.563   4.771   4.771
  649    HA   PHE  88           HA       PHE  88   2.107   7.141   7.141
  650   1HB   PHE  88           HB2      PHE  88   0.908   4.559   4.559
  651   2HB   PHE  88           HB1      PHE  88   0.124   6.048   6.048
  652    HD1  PHE  88           HD2      PHE  88   0.978   3.932   3.932
  653    HD2  PHE  88           HD1      PHE  88  -0.984   7.494   7.494
  654    HE1  PHE  88           HE2      PHE  88  -0.161   4.088   4.088
  655    HE2  PHE  88           HE1      PHE  88  -2.127   7.655   7.655
  656    HZ   PHE  88           HZ       PHE  88  -1.709   5.953   5.953
  657    H    LEU  89           HN       LEU  89   4.275   7.317   7.317
  658    HA   LEU  89           HA       LEU  89   4.043   7.049   7.049
  659   1HB   LEU  89           HB2      LEU  89   5.844   8.228   8.228
  660   2HB   LEU  89           HB1      LEU  89   5.378   9.519   9.519
  661    HG   LEU  89           HG       LEU  89   6.860   6.996   6.996
  662   1HD1  LEU  89          HD12      LEU  89   7.179   9.915   9.915
  663   2HD1  LEU  89          HD11      LEU  89   7.998   8.751   8.751
  664   3HD1  LEU  89          HD13      LEU  89   8.320   8.763   8.763
  665   1HD2  LEU  89          HD23      LEU  89   4.789   8.182   8.182
  666   2HD2  LEU  89          HD22      LEU  89   5.496   6.566   6.566
  667   3HD2  LEU  89          HD21      LEU  89   6.341   7.911   7.911
  668    H    ASP  90           HN       ASP  90   2.350   9.183   9.183
  669    HA   ASP  90           HA       ASP  90   1.856  11.353  11.353
  670   1HB   ASP  90           HB1      ASP  90  -0.030  11.846  11.846
  671   2HB   ASP  90           HB2      ASP  90  -0.105  10.177  10.177
  672    H    THR  91           HN       THR  91  -0.517   8.792   8.792
  673    HA   THR  91           HA       THR  91  -1.994   9.333   9.333
  674    HB   THR  91           HB       THR  91  -2.104   7.129   7.129
  675    HG1  THR  91           HG1      THR  91  -3.080   8.863   8.863
  676   1HG2  THR  91          HG23      THR  91  -3.864   7.442   7.442
  677   2HG2  THR  91          HG22      THR  91  -4.250   6.444   6.444
  678   3HG2  THR  91          HG21      THR  91  -2.843   6.064   6.064
  679    H    LEU  92           HN       LEU  92   0.532   7.100   7.100
  680    HA   LEU  92           HA       LEU  92   0.342   5.210   5.210
  681   1HB   LEU  92           HB2      LEU  92   2.391   6.180   6.180
  682   2HB   LEU  92           HB1      LEU  92   3.067   5.662   5.662
  683    HG   LEU  92           HG       LEU  92   2.258   3.449   3.449
  684   1HD1  LEU  92          HD21      LEU  92   0.223   4.712   4.712
  685   2HD1  LEU  92          HD23      LEU  92   0.995   3.510   3.510
  686   3HD1  LEU  92          HD22      LEU  92   0.321   3.029   3.029
  687   1HD2  LEU  92          HD13      LEU  92   4.253   4.016   4.016
  688   2HD2  LEU  92          HD12      LEU  92   3.288   2.753   2.753
  689   3HD2  LEU  92          HD11      LEU  92   3.222   4.407   4.407
  690    H    LYS  93           HN       LYS  93   2.159   8.258   8.258
  691    HA   LYS  93           HA       LYS  93   3.226   8.175   8.175
  692   1HB   LYS  93           HB2      LYS  93   2.978  10.067  10.067
  693   2HB   LYS  93           HB1      LYS  93   2.234  10.827  10.827
  694   1HG   LYS  93           HG1      LYS  93   4.261  11.412  11.412
  695   2HG   LYS  93           HG2      LYS  93   4.583   9.707   9.707
  696   1HD   LYS  93           HD2      LYS  93   6.294  10.741  10.741
  697   2HD   LYS  93           HD1      LYS  93   5.451   9.405   9.405
  698   1HE   LYS  93           HE1      LYS  93   5.828  11.464  11.464
  699   2HE   LYS  93           HE2      LYS  93   4.174  10.859  10.859
  700   1HZ   LYS  93           HZ2      LYS  93   5.241  13.106  13.106
  701   2HZ   LYS  93           HZ1      LYS  93   4.298  13.278  13.278
  702   3HZ   LYS  93           HZ3      LYS  93   3.642  12.554  12.554
  703    H    VAL  94           HN       VAL  94  -0.048   8.852   8.852
  704    HA   VAL  94           HA       VAL  94  -0.903   9.917   9.917
  705    HB   VAL  94           HB       VAL  94  -2.555   8.761   8.761
  706   1HG1  VAL  94          HG22      VAL  94  -3.296   9.536   9.536
  707   2HG1  VAL  94          HG21      VAL  94  -3.917  10.753  10.753
  708   3HG1  VAL  94          HG23      VAL  94  -4.341   9.056   9.056
  709   1HG2  VAL  94          HG12      VAL  94  -1.006  11.100  11.100
  710   2HG2  VAL  94          HG11      VAL  94  -2.200  10.641  10.641
  711   3HG2  VAL  94          HG13      VAL  94  -2.684  11.611  11.611
  712    H    LEU  95           HN       LEU  95  -1.652   6.812   6.812
  713    HA   LEU  95           HA       LEU  95  -2.820   5.725   5.725
  714   1HB   LEU  95           HB1      LEU  95  -3.258   3.797   3.797
  715   2HB   LEU  95           HB2      LEU  95  -3.402   5.127   5.127
  716    HG   LEU  95           HG       LEU  95  -0.897   4.541   4.541
  717   1HD1  LEU  95          HD23      LEU  95  -1.258   2.691   2.691
  718   2HD1  LEU  95          HD22      LEU  95  -1.678   1.750   1.750
  719   3HD1  LEU  95          HD21      LEU  95  -0.100   2.529   2.529
  720   1HD2  LEU  95          HD12      LEU  95  -3.260   4.143   4.143
  721   2HD2  LEU  95          HD11      LEU  95  -1.695   3.690   3.690
  722   3HD2  LEU  95          HD13      LEU  95  -2.684   2.482   2.482
  723    H    VAL  96           HN       VAL  96   0.288   5.198   5.198
  724    HA   VAL  96           HA       VAL  96   1.159   3.140   3.140
  725    HB   VAL  96           HB       VAL  96   2.340   4.730   4.730
  726   1HG1  VAL  96          HG12      VAL  96   4.061   3.819   3.819
  727   2HG1  VAL  96          HG11      VAL  96   4.687   3.932   3.932
  728   3HG1  VAL  96          HG13      VAL  96   4.065   5.371   5.371
  729   1HG2  VAL  96          HG22      VAL  96   2.315   1.891   1.891
  730   2HG2  VAL  96          HG21      VAL  96   1.728   2.588   2.588
  731   3HG2  VAL  96          HG23      VAL  96   3.461   2.414   2.414
  732    H    GLU  97           HN       GLU  97   1.307   6.631   6.631
  733    HA   GLU  97           HA       GLU  97   3.298   6.638   6.638
  734   1HB   GLU  97           HB2      GLU  97   2.785   8.956   8.956
  735   2HB   GLU  97           HB1      GLU  97   2.728   8.616   8.616
  736   1HG   GLU  97           HG1      GLU  97   0.732   9.738   9.738
  737   2HG   GLU  97           HG2      GLU  97   0.706   9.502   9.502
  738    H    HIS  98           HN       HIS  98  -0.144   6.183   6.183
  739    HA   HIS  98           HA       HIS  98  -0.581   6.721   6.721
  740   1HB   HIS  98           HB1      HIS  98  -2.218   6.414   6.414
  741   2HB   HIS  98           HB2      HIS  98  -2.458   4.886   4.886
  742    HD2  HIS  98           HD2      HIS  98  -4.156   8.086   8.086
  743    HE1  HIS  98           HE1      HIS  98  -4.403   6.943   6.943
  744    HE2  HIS  98           HE2      HIS  98  -5.426   8.376   8.376
  745    H    GLY  99           HN       GLY  99  -0.321   3.744   3.744
  746   1HA   GLY  99           HA1      GLY  99   1.009   2.352   2.352
  747   2HA   GLY  99           HA2      GLY  99  -0.668   1.849   1.849
  748    H    ALA 100           HN       ALA 100  -1.342   1.299   1.299
  749    HA   ALA 100           HA       ALA 100  -1.097  -0.558  -0.558
  750   1HB   ALA 100           HB3      ALA 100  -0.300   1.942   1.942
  751   2HB   ALA 100           HB2      ALA 100   0.864   0.784   0.784
  752   3HB   ALA 100           HB1      ALA 100  -0.860   0.555   0.555
  753    H    ASP 101           HN       ASP 101  -0.111  -2.339  -2.339
  754    HA   ASP 101           HA       ASP 101   2.345  -2.764  -2.764
  755   1HB   ASP 101           HB2      ASP 101   2.251  -5.081  -5.081
  756   2HB   ASP 101           HB1      ASP 101   0.856  -4.610  -4.610
  757    H    VAL 102           HN       VAL 102   3.935  -1.448  -1.448
  758    HA   VAL 102           HA       VAL 102   4.658  -1.801  -1.801
  759    HB   VAL 102           HB       VAL 102   6.499  -0.082  -0.082
  760   1HG1  VAL 102          HG12      VAL 102   3.585   0.433   0.433
  761   2HG1  VAL 102          HG11      VAL 102   4.726   1.761   1.761
  762   3HG1  VAL 102          HG13      VAL 102   4.942   0.611   0.611
  763   1HG2  VAL 102          HG23      VAL 102   5.961  -0.341  -0.341
  764   2HG2  VAL 102          HG22      VAL 102   5.857   1.326   1.326
  765   3HG2  VAL 102          HG21      VAL 102   4.385   0.387   0.387
  766    H    ASN 103           HN       ASN 103   5.386  -3.256  -3.256
  767    HA   ASN 103           HA       ASN 103   8.141  -3.890  -3.890
  768   1HB   ASN 103           HB1      ASN 103   7.596  -5.134  -5.134
  769   2HB   ASN 103           HB2      ASN 103   8.532  -3.666  -3.666
  770   1HD2  ASN 103          HD22      ASN 103   5.847  -1.489  -1.489
  771   2HD2  ASN 103          HD21      ASN 103   7.146  -1.655  -1.655
  772    H    ALA 104           HN       ALA 104   5.186  -5.049  -5.049
  773    HA   ALA 104           HA       ALA 104   5.520  -7.835  -7.835
  774   1HB   ALA 104           HB1      ALA 104   3.600  -6.371  -6.371
  775   2HB   ALA 104           HB3      ALA 104   3.538  -8.103  -8.103
  776   3HB   ALA 104           HB2      ALA 104   3.296  -6.951  -6.951
  777    H    LEU 105           HN       LEU 105   5.295  -9.429  -9.429
  778    HA   LEU 105           HA       LEU 105   6.944  -8.612  -8.612
  779   1HB   LEU 105           HB2      LEU 105   7.383 -11.112 -11.112
  780   2HB   LEU 105           HB1      LEU 105   8.236 -10.697 -10.697
  781    HG   LEU 105           HG       LEU 105   8.342  -9.021  -9.021
  782   1HD1  LEU 105          HD12      LEU 105   9.255 -11.338 -11.338
  783   2HD1  LEU 105          HD11      LEU 105  10.426 -10.967 -10.967
  784   3HD1  LEU 105          HD13      LEU 105  10.423 -10.037 -10.037
  785   1HD2  LEU 105          HD21      LEU 105   9.287  -8.689  -8.689
  786   2HD2  LEU 105          HD23      LEU 105   9.292  -7.547  -7.547
  787   3HD2  LEU 105          HD22      LEU 105  10.627  -8.683  -8.683
  788    H    ASP 106           HN       ASP 106   7.119 -11.023 -11.023
  789    HA   ASP 106           HA       ASP 106   4.397 -12.025 -12.025
  790   1HB   ASP 106           HB1      ASP 106   5.076 -11.900 -11.900
  791   2HB   ASP 106           HB2      ASP 106   4.123 -10.670 -10.670
  792    H    SER 107           HN       SER 107   4.650 -13.677 -13.677
  793    HA   SER 107           HA       SER 107   5.855 -15.942 -15.942
  794   1HB   SER 107           HB2      SER 107   4.409 -16.502 -16.502
  795   2HB   SER 107           HB1      SER 107   4.873 -15.126 -15.126
  796    HG   SER 107           HG       SER 107   5.557 -17.405 -17.405
  797    H    THR 108           HN       THR 108   7.261 -13.341 -13.341
  798    HA   THR 108           HA       THR 108   9.740 -14.810 -14.810
  799    HB   THR 108           HB       THR 108  10.273 -12.289 -12.289
  800    HG1  THR 108           HG1      THR 108   8.310 -11.400 -11.400
  801   1HG2  THR 108          HG21      THR 108   8.941 -14.553 -14.553
  802   2HG2  THR 108          HG23      THR 108   9.358 -13.050 -13.050
  803   3HG2  THR 108          HG22      THR 108  10.623 -14.026 -14.026
  804    H    GLY 109           HN       GLY 109   8.354 -12.903 -12.903
  805   1HA   GLY 109           HA2      GLY 109   9.217 -12.155 -12.155
  806   2HA   GLY 109           HA1      GLY 109  10.758 -12.863 -12.863
  807    H    SER 110           HN       SER 110   9.604 -10.790 -10.790
  808    HA   SER 110           HA       SER 110  11.683  -8.883  -8.883
  809   1HB   SER 110           HB1      SER 110  11.492  -8.395  -8.395
  810   2HB   SER 110           HB2      SER 110  10.349  -9.735  -9.735
  811    HG   SER 110           HG       SER 110   9.468  -7.797  -7.797
  812    H    LEU 111           HN       LEU 111  11.428  -7.407  -7.407
  813    HA   LEU 111           HA       LEU 111   8.986  -6.545  -6.545
  814   1HB   LEU 111           HB1      LEU 111  11.066  -6.327  -6.327
  815   2HB   LEU 111           HB2      LEU 111  11.692  -5.210  -5.210
  816    HG   LEU 111           HG       LEU 111   9.526  -3.828  -3.828
  817   1HD1  LEU 111          HD23      LEU 111   9.311  -5.919  -5.919
  818   2HD1  LEU 111          HD22      LEU 111  10.147  -4.707  -4.707
  819   3HD1  LEU 111          HD21      LEU 111   8.594  -4.324  -4.324
  820   1HD2  LEU 111          HD11      LEU 111  12.280  -3.725  -3.725
  821   2HD2  LEU 111          HD13      LEU 111  11.108  -2.410  -2.410
  822   3HD2  LEU 111          HD12      LEU 111  11.466  -3.382  -3.382
  823    HA   PRO 112           HA       PRO 112   7.076  -3.760  -3.760
  824   1HB   PRO 112           HB2      PRO 112   7.114  -1.940  -1.940
  825   2HB   PRO 112           HB1      PRO 112   5.793  -2.293  -2.293
  826   1HG   PRO 112           HG1      PRO 112   5.899  -3.442  -3.442
  827   2HG   PRO 112           HG2      PRO 112   5.316  -4.329  -4.329
  828   1HD   PRO 112           HD2      PRO 112   7.851  -4.623  -4.623
  829   2HD   PRO 112           HD1      PRO 112   6.984  -5.805  -5.805
  830    H    ILE 113           HN       ILE 113   9.766  -2.729  -2.729
  831    HA   ILE 113           HA       ILE 113  10.337  -0.349  -0.349
  832    HB   ILE 113           HB       ILE 113  11.051  -0.868  -0.868
  833   1HG1  ILE 113          HG11      ILE 113  11.900   0.988   0.988
  834   2HG1  ILE 113          HG12      ILE 113  12.761   0.699   0.699
  835   1HG2  ILE 113          HG22      ILE 113  12.033  -3.096  -3.096
  836   2HG2  ILE 113          HG21      ILE 113  13.373  -2.214  -2.214
  837   3HG2  ILE 113          HG23      ILE 113  13.065  -2.067  -2.067
  838   1HD1  ILE 113          HD13      ILE 113  13.567  -0.539  -0.539
  839   2HD1  ILE 113          HD12      ILE 113  14.194   1.003   1.003
  840   3HD1  ILE 113          HD11      ILE 113  14.488  -0.475  -0.475
  841    H    HIS 114           HN       HIS 114  11.661  -3.637  -3.637
  842    HA   HIS 114           HA       HIS 114  13.777  -3.303  -3.303
  843   1HB   HIS 114           HB1      HIS 114  11.964  -5.638  -5.638
  844   2HB   HIS 114           HB2      HIS 114  13.257  -5.757  -5.757
  845    HD2  HIS 114           HD2      HIS 114  15.878  -5.516  -5.516
  846    HE1  HIS 114           HE1      HIS 114  14.596  -6.264  -6.264
  847    HE2  HIS 114           HE2      HIS 114  16.606  -5.919  -5.919
  848    H    LEU 115           HN       LEU 115  10.352  -3.714  -3.714
  849    HA   LEU 115           HA       LEU 115  10.498  -4.180  -4.180
  850   1HB   LEU 115           HB1      LEU 115   8.408  -2.754  -2.754
  851   2HB   LEU 115           HB2      LEU 115   8.204  -3.137  -3.137
  852    HG   LEU 115           HG       LEU 115   8.624  -5.579  -5.579
  853   1HD1  LEU 115          HD22      LEU 115   8.269  -4.259  -4.259
  854   2HD1  LEU 115          HD21      LEU 115   7.792  -5.937  -5.937
  855   3HD1  LEU 115          HD23      LEU 115   9.469  -5.449  -5.449
  856   1HD2  LEU 115          HD12      LEU 115   6.299  -3.962  -3.962
  857   2HD2  LEU 115          HD11      LEU 115   6.443  -5.691  -5.691
  858   3HD2  LEU 115          HD13      LEU 115   6.123  -5.118  -5.118
  859    H    ALA 116           HN       ALA 116   9.949  -1.053  -1.053
  860    HA   ALA 116           HA       ALA 116  10.041   0.572   0.572
  861   1HB   ALA 116           HB2      ALA 116   9.465   1.216   1.216
  862   2HB   ALA 116           HB1      ALA 116  11.201   1.398   1.398
  863   3HB   ALA 116           HB3      ALA 116  10.377   2.396   2.396
  864    H    ILE 117           HN       ILE 117  12.637  -0.951  -0.951
  865    HA   ILE 117           HA       ILE 117  14.774   0.588   0.588
  866    HB   ILE 117           HB       ILE 117  14.680  -2.216  -2.216
  867   1HG1  ILE 117          HG11      ILE 117  15.841   0.341   0.341
  868   2HG1  ILE 117          HG12      ILE 117  14.261  -0.310  -0.310
  869   1HG2  ILE 117          HG22      ILE 117  17.017  -0.638  -0.638
  870   2HG2  ILE 117          HG21      ILE 117  17.203  -1.938  -1.938
  871   3HG2  ILE 117          HG23      ILE 117  16.528  -2.280  -2.280
  872   1HD1  ILE 117          HD11      ILE 117  15.952  -2.429  -2.429
  873   2HD1  ILE 117          HD13      ILE 117  16.896  -1.034  -1.034
  874   3HD1  ILE 117          HD12      ILE 117  15.306  -1.335  -1.335
  875    H    ARG 118           HN       ARG 118  13.104  -2.310  -2.310
  876    HA   ARG 118           HA       ARG 118  14.890  -2.821  -2.821
  877   1HB   ARG 118           HB1      ARG 118  12.081  -3.789  -3.789
  878   2HB   ARG 118           HB2      ARG 118  13.580  -4.645  -4.645
  879   1HG   ARG 118           HG2      ARG 118  13.677  -4.077  -4.077
  880   2HG   ARG 118           HG1      ARG 118  12.009  -4.564  -4.564
  881   1HD   ARG 118           HD1      ARG 118  14.318  -6.150  -6.150
  882   2HD   ARG 118           HD2      ARG 118  13.737  -6.383  -6.383
  883    HE   ARG 118           HE       ARG 118  11.592  -6.515  -6.515
  884   1HH1  ARG 118          HH11      ARG 118  14.326  -8.324  -8.324
  885   2HH1  ARG 118          HH12      ARG 118  13.621  -9.866  -9.866
  886   1HH2  ARG 118          HH21      ARG 118  10.653  -8.540  -8.540
  887   2HH2  ARG 118          HH22      ARG 118  11.532  -9.989  -9.989
  888    H    GLU 119           HN       GLU 119  12.399  -0.584  -0.584
  889    HA   GLU 119           HA       GLU 119  11.836  -0.235  -0.235
  890   1HB   GLU 119           HB1      GLU 119  10.686   1.303   1.303
  891   2HB   GLU 119           HB2      GLU 119  10.078   1.262   1.262
  892   1HG   GLU 119           HG2      GLU 119   8.678  -0.304  -0.304
  893   2HG   GLU 119           HG1      GLU 119  10.069  -1.385  -1.385
  894    H    GLY 120           HN       GLY 120  12.913   1.749   1.749
  895   1HA   GLY 120           HA2      GLY 120  14.643   3.323   3.323
  896   2HA   GLY 120           HA1      GLY 120  14.736   3.173   3.173
  897    H    HIS 121           HN       HIS 121  11.607   3.608   3.608
  898    HA   HIS 121           HA       HIS 121  10.764   5.701   5.701
  899   1HB   HIS 121           HB2      HIS 121  10.202   5.150   5.150
  900   2HB   HIS 121           HB1      HIS 121   9.325   6.358   6.358
  901    HD2  HIS 121           HD2      HIS 121   9.375   2.580   2.580
  902    HE1  HIS 121           HE1      HIS 121   6.547   3.367   3.367
  903    HE2  HIS 121           HE2      HIS 121   7.343   1.677   1.677
  904    H    SER 122           HN       SER 122  11.912   6.296   6.296
  905    HA   SER 122           HA       SER 122  13.927   8.013   8.013
  906   1HB   SER 122           HB2      SER 122  13.000   9.506   9.506
  907   2HB   SER 122           HB1      SER 122  11.390   9.394   9.394
  908    HG   SER 122           HG       SER 122  13.618  10.593  10.593
  909    H    SER 123           HN       SER 123  11.072   9.565   9.565
  910    HA   SER 123           HA       SER 123  12.169   9.589   9.589
  911   1HB   SER 123           HB2      SER 123  10.410  11.193  11.193
  912   2HB   SER 123           HB1      SER 123   9.306  10.246  10.246
  913    HG   SER 123           HG       SER 123  10.037  12.114  12.114
  914    H    VAL 124           HN       VAL 124  10.316   7.360   7.360
  915    HA   VAL 124           HA       VAL 124   8.730   6.280   6.280
  916    HB   VAL 124           HB       VAL 124   9.682   5.061   5.061
  917   1HG1  VAL 124          HG11      VAL 124   9.198   3.371   3.371
  918   2HG1  VAL 124          HG13      VAL 124   7.544   3.980   3.980
  919   3HG1  VAL 124          HG12      VAL 124   8.183   3.245   3.245
  920   1HG2  VAL 124          HG22      VAL 124   8.151   6.973   6.973
  921   2HG2  VAL 124          HG21      VAL 124   7.409   5.469   5.469
  922   3HG2  VAL 124          HG23      VAL 124   6.988   6.138   6.138
  923    H    VAL 125           HN       VAL 125  11.586   4.832   4.832
  924    HA   VAL 125           HA       VAL 125  12.036   2.809   2.809
  925    HB   VAL 125           HB       VAL 125  14.346   4.247   4.247
  926   1HG1  VAL 125          HG12      VAL 125  14.440   2.125   2.125
  927   2HG1  VAL 125          HG11      VAL 125  13.899   1.295   1.295
  928   3HG1  VAL 125          HG13      VAL 125  15.412   2.202   2.202
  929   1HG2  VAL 125          HG22      VAL 125  12.125   2.805   2.805
  930   2HG2  VAL 125          HG21      VAL 125  13.027   4.230   4.230
  931   3HG2  VAL 125          HG23      VAL 125  13.766   2.633   2.633
  932    H    SER 126           HN       SER 126  13.179   6.155   6.155
  933    HA   SER 126           HA       SER 126  14.772   5.820   5.820
  934   1HB   SER 126           HB2      SER 126  14.974   8.250   8.250
  935   2HB   SER 126           HB1      SER 126  15.168   7.624   7.624
  936    HG   SER 126           HG       SER 126  13.145   9.179   9.179
  937    H    PHE 127           HN       PHE 127  11.454   6.630   6.630
  938    HA   PHE 127           HA       PHE 127  10.885   7.621   7.621
  939   1HB   PHE 127           HB1      PHE 127   9.421   8.344   8.344
  940   2HB   PHE 127           HB2      PHE 127   9.152   6.701   6.701
  941    HD1  PHE 127           HD2      PHE 127   8.502   8.997   8.997
  942    HD2  PHE 127           HD1      PHE 127   7.377   5.415   5.415
  943    HE1  PHE 127           HE2      PHE 127   6.484   8.840   8.840
  944    HE2  PHE 127           HE1      PHE 127   5.357   5.252   5.252
  945    HZ   PHE 127           HZ       PHE 127   4.910   6.965   6.965
  946    H    LEU 128           HN       LEU 128  10.126   4.553   4.553
  947    HA   LEU 128           HA       LEU 128   8.951   3.276   3.276
  948   1HB   LEU 128           HB2      LEU 128   9.986   2.501   2.501
  949   2HB   LEU 128           HB1      LEU 128  10.141   1.235   1.235
  950    HG   LEU 128           HG       LEU 128   7.518   2.273   2.273
  951   1HD1  LEU 128          HD21      LEU 128   8.443   2.722   2.722
  952   2HD1  LEU 128          HD23      LEU 128   7.457   1.262   1.262
  953   3HD1  LEU 128          HD22      LEU 128   6.772   2.748   2.748
  954   1HD2  LEU 128          HD12      LEU 128   8.885  -0.211  -0.211
  955   2HD2  LEU 128          HD11      LEU 128   7.276   0.099   0.099
  956   3HD2  LEU 128          HD13      LEU 128   7.488  -0.184  -0.184
  957    H    ALA 129           HN       ALA 129  12.223   4.034   4.034
  958    HA   ALA 129           HA       ALA 129  13.624   2.014   2.014
  959   1HB   ALA 129           HB3      ALA 129  14.144   4.726   4.726
  960   2HB   ALA 129           HB2      ALA 129  14.971   4.357   4.357
  961   3HB   ALA 129           HB1      ALA 129  15.241   3.347   3.347
  962    HA   PRO 130           HA       PRO 130  13.416   4.260   4.260
  963   1HB   PRO 130           HB1      PRO 130  11.942   6.550   6.550
  964   2HB   PRO 130           HB2      PRO 130  13.668   6.528   6.528
  965   1HG   PRO 130           HG2      PRO 130  11.319   6.747   6.747
  966   2HG   PRO 130           HG1      PRO 130  12.850   7.641   7.641
  967   1HD   PRO 130           HD2      PRO 130  12.375   5.561   5.561
  968   2HD   PRO 130           HD1      PRO 130  13.993   5.901   5.901
  969    H    GLU 131           HN       GLU 131  10.476   4.671   4.671
  970    HA   GLU 131           HA       GLU 131   8.644   4.258   4.258
  971   1HB   GLU 131           HB1      GLU 131   8.410   4.002   4.002
  972   2HB   GLU 131           HB2      GLU 131   7.055   3.676   3.676
  973   1HG   GLU 131           HG2      GLU 131   6.610   5.842   5.842
  974   2HG   GLU 131           HG1      GLU 131   7.751   6.078   6.078
  975    H    SER 132           HN       SER 132  10.600   2.104   2.104
  976    HA   SER 132           HA       SER 132   9.089  -0.195  -0.195
  977   1HB   SER 132           HB1      SER 132  11.028  -0.258  -0.258
  978   2HB   SER 132           HB2      SER 132   9.881  -1.509  -1.509
  979    HG   SER 132           HG       SER 132   8.667   0.880   0.880
  980    H    ASP 133           HN       ASP 133  10.215  -1.913  -1.913
  981    HA   ASP 133           HA       ASP 133  12.141  -1.436  -1.436
  982   1HB   ASP 133           HB1      ASP 133  12.852  -3.980  -3.980
  983   2HB   ASP 133           HB2      ASP 133  11.167  -3.819  -3.819
  984    H    LEU 134           HN       LEU 134  14.015  -0.406  -0.406
  985    HA   LEU 134           HA       LEU 134  15.487  -0.279  -0.279
  986   1HB   LEU 134           HB2      LEU 134  15.811   0.644   0.644
  987   2HB   LEU 134           HB1      LEU 134  17.297   0.434   0.434
  988    HG   LEU 134           HG       LEU 134  15.038   2.335   2.335
  989   1HD1  LEU 134          HD13      LEU 134  17.973   2.529   2.529
  990   2HD1  LEU 134          HD12      LEU 134  17.126   3.832   3.832
  991   3HD1  LEU 134          HD11      LEU 134  16.635   3.358   3.358
  992   1HD2  LEU 134          HD22      LEU 134  17.077   1.310   1.310
  993   2HD2  LEU 134          HD21      LEU 134  15.330   1.446   1.446
  994   3HD2  LEU 134          HD23      LEU 134  16.330   2.898   2.898
  995    H    HIS 135           HN       HIS 135  15.215  -2.739  -2.739
  996    HA   HIS 135           HA       HIS 135  17.761  -3.925  -3.925
  997   1HB   HIS 135           HB2      HIS 135  16.697  -3.556  -3.556
  998   2HB   HIS 135           HB1      HIS 135  17.068  -5.245  -5.245
  999    HD2  HIS 135           HD2      HIS 135  19.631  -5.895  -5.895
 1000    HE1  HIS 135           HE1      HIS 135  21.217  -1.974  -1.974
 1001    HE2  HIS 135           HE2      HIS 135  21.775  -4.436  -4.436
 1002    H    HIS 136           HN       HIS 136  15.359  -4.173  -4.173
 1003    HA   HIS 136           HA       HIS 136  14.488  -6.919  -6.919
 1004   1HB   HIS 136           HB1      HIS 136  12.983  -4.677  -4.677
 1005   2HB   HIS 136           HB2      HIS 136  13.040  -5.469  -5.469
 1006    HD2  HIS 136           HD2      HIS 136  12.274  -8.346  -8.346
 1007    HE1  HIS 136           HE1      HIS 136   9.540  -7.295  -7.295
 1008    HE2  HIS 136           HE2      HIS 136  10.331  -9.151  -9.151
 1009    H    ARG 137           HN       ARG 137  14.745  -8.538  -8.538
 1010    HA   ARG 137           HA       ARG 137  15.977  -7.857  -7.857
 1011   1HB   ARG 137           HB2      ARG 137  16.833 -10.420 -10.420
 1012   2HB   ARG 137           HB1      ARG 137  17.774  -9.181  -9.181
 1013   1HG   ARG 137           HG2      ARG 137  17.732  -7.851  -7.851
 1014   2HG   ARG 137           HG1      ARG 137  16.947  -9.221  -9.221
 1015   1HD   ARG 137           HD1      ARG 137  19.476  -9.701  -9.701
 1016   2HD   ARG 137           HD2      ARG 137  19.565  -8.900  -8.900
 1017    HE   ARG 137           HE       ARG 137  19.172 -11.648 -11.648
 1018   1HH1  ARG 137          HH21      ARG 137  17.996  -9.044  -9.044
 1019   2HH1  ARG 137          HH22      ARG 137  17.563 -10.076 -10.076
 1020   1HH2  ARG 137          HH11      ARG 137  18.605 -13.018 -13.018
 1021   2HH2  ARG 137          HH12      ARG 137  17.909 -12.336 -12.336
 1022    H    ASP 138           HN       ASP 138  15.817  -9.639  -9.639
 1023    HA   ASP 138           HA       ASP 138  13.181 -10.891 -10.891
 1024   1HB   ASP 138           HB2      ASP 138  14.621 -11.200 -11.200
 1025   2HB   ASP 138           HB1      ASP 138  12.991 -10.605 -10.605
 1026    H    ALA 139           HN       ALA 139  12.911 -13.101 -13.101
 1027    HA   ALA 139           HA       ALA 139  14.571 -14.931 -14.931
 1028   1HB   ALA 139           HB3      ALA 139  12.514 -15.251 -15.251
 1029   2HB   ALA 139           HB2      ALA 139  13.396 -16.630 -16.630
 1030   3HB   ALA 139           HB1      ALA 139  12.384 -15.645 -15.645
 1031    H    SER 140           HN       SER 140  15.009 -13.296 -13.296
 1032    HA   SER 140           HA       SER 140  16.749 -15.278 -15.278
 1033   1HB   SER 140           HB2      SER 140  15.194 -13.318 -13.318
 1034   2HB   SER 140           HB1      SER 140  16.771 -12.529 -12.529
 1035    HG   SER 140           HG       SER 140  15.838 -14.522 -14.522
 1036    H    GLY 141           HN       GLY 141  17.004 -12.268 -12.268
 1037   1HA   GLY 141           HA2      GLY 141  18.874 -11.787 -11.787
 1038   2HA   GLY 141           HA1      GLY 141  19.870 -12.795 -12.795
 1039    H    LEU 142           HN       LEU 142  18.000  -9.773  -9.773
 1040    HA   LEU 142           HA       LEU 142  20.208  -8.426  -8.426
 1041   1HB   LEU 142           HB2      LEU 142  17.560  -8.907  -8.907
 1042   2HB   LEU 142           HB1      LEU 142  18.444  -7.431  -7.431
 1043    HG   LEU 142           HG       LEU 142  19.457 -10.239 -10.239
 1044   1HD1  LEU 142          HD12      LEU 142  17.654  -8.815  -8.815
 1045   2HD1  LEU 142          HD11      LEU 142  19.197  -8.449  -8.449
 1046   3HD1  LEU 142          HD13      LEU 142  18.682 -10.125 -10.125
 1047   1HD2  LEU 142          HD21      LEU 142  20.707  -7.540  -7.540
 1048   2HD2  LEU 142          HD23      LEU 142  21.337  -8.910  -8.910
 1049   3HD2  LEU 142          HD22      LEU 142  21.257  -8.988  -8.988
 1050    H    THR 143           HN       THR 143  19.791  -7.793  -7.793
 1051    HA   THR 143           HA       THR 143  17.767  -6.294  -6.294
 1052    HB   THR 143           HB       THR 143  20.065  -4.842  -4.842
 1053    HG1  THR 143           HG1      THR 143  21.676  -6.190  -6.190
 1054   1HG2  THR 143          HG21      THR 143  18.105  -6.201  -6.201
 1055   2HG2  THR 143          HG23      THR 143  19.515  -7.211  -7.211
 1056   3HG2  THR 143          HG22      THR 143  19.533  -5.503  -5.503
 1057    HA   PRO 144           HA       PRO 144  16.984  -2.415  -2.415
 1058   1HB   PRO 144           HB2      PRO 144  18.442  -1.068  -1.068
 1059   2HB   PRO 144           HB1      PRO 144  16.861  -0.694  -0.694
 1060   1HG   PRO 144           HG2      PRO 144  17.066  -1.998  -1.998
 1061   2HG   PRO 144           HG1      PRO 144  15.803  -2.408  -2.408
 1062   1HD   PRO 144           HD2      PRO 144  18.272  -3.890  -3.890
 1063   2HD   PRO 144           HD1      PRO 144  16.722  -4.503  -4.503
 1064    H    LEU 145           HN       LEU 145  20.193  -2.288  -2.288
 1065    HA   LEU 145           HA       LEU 145  21.329  -0.611  -0.611
 1066   1HB   LEU 145           HB2      LEU 145  22.124  -1.735  -1.735
 1067   2HB   LEU 145           HB1      LEU 145  23.349  -2.146  -2.146
 1068    HG   LEU 145           HG       LEU 145  22.388   0.637   0.637
 1069   1HD1  LEU 145          HD11      LEU 145  24.580  -1.056  -1.056
 1070   2HD1  LEU 145          HD13      LEU 145  25.054   0.574   0.574
 1071   3HD1  LEU 145          HD12      LEU 145  23.806   0.342   0.342
 1072   1HD2  LEU 145          HD21      LEU 145  24.178  -0.431  -0.431
 1073   2HD2  LEU 145          HD23      LEU 145  22.965   0.847   0.847
 1074   3HD2  LEU 145          HD22      LEU 145  24.513   1.150   1.150
 1075    H    GLU 146           HN       GLU 146  21.299  -4.092  -4.092
 1076    HA   GLU 146           HA       GLU 146  23.143  -4.918  -4.918
 1077   1HB   GLU 146           HB2      GLU 146  20.758  -6.127  -6.127
 1078   2HB   GLU 146           HB1      GLU 146  21.323  -6.898  -6.898
 1079   1HG   GLU 146           HG2      GLU 146  22.206  -7.616  -7.616
 1080   2HG   GLU 146           HG1      GLU 146  23.245  -7.637  -7.637
 1081    H    LEU 147           HN       LEU 147  19.608  -4.823  -4.823
 1082    HA   LEU 147           HA       LEU 147  19.670  -5.214  -5.214
 1083   1HB   LEU 147           HB2      LEU 147  17.676  -5.213  -5.213
 1084   2HB   LEU 147           HB1      LEU 147  17.599  -3.492  -3.492
 1085    HG   LEU 147           HG       LEU 147  17.316  -4.014  -4.014
 1086   1HD1  LEU 147          HD21      LEU 147  18.401  -6.293  -6.293
 1087   2HD1  LEU 147          HD23      LEU 147  16.859  -6.853  -6.853
 1088   3HD1  LEU 147          HD22      LEU 147  16.946  -6.207  -6.207
 1089   1HD2  LEU 147          HD11      LEU 147  15.453  -4.168  -4.168
 1090   2HD2  LEU 147          HD13      LEU 147  15.133  -3.873  -3.873
 1091   3HD2  LEU 147          HD12      LEU 147  15.080  -5.517  -5.517
 1092    H    ALA 148           HN       ALA 148  19.778  -2.221  -2.221
 1093    HA   ALA 148           HA       ALA 148  19.558  -0.360  -0.360
 1094   1HB   ALA 148           HB1      ALA 148  20.589  -0.383  -0.383
 1095   2HB   ALA 148           HB3      ALA 148  21.417   0.776   0.776
 1096   3HB   ALA 148           HB2      ALA 148  19.665   0.853   0.853
 1097    H    ARG 149           HN       ARG 149  22.388  -2.182  -2.182
 1098    HA   ARG 149           HA       ARG 149  24.300  -0.881  -0.881
 1099   1HB   ARG 149           HB2      ARG 149  24.642  -2.581  -2.581
 1100   2HB   ARG 149           HB1      ARG 149  24.444  -3.808  -3.808
 1101   1HG   ARG 149           HG1      ARG 149  26.614  -3.628  -3.628
 1102   2HG   ARG 149           HG2      ARG 149  26.295  -2.020  -2.020
 1103   1HD   ARG 149           HD2      ARG 149  26.346  -1.470  -1.470
 1104   2HD   ARG 149           HD1      ARG 149  27.482  -2.818  -2.818
 1105    HE   ARG 149           HE       ARG 149  28.119  -1.000  -1.000
 1106   1HH1  ARG 149          HH11      ARG 149  28.149  -1.232  -1.232
 1107   2HH1  ARG 149          HH12      ARG 149  29.482  -0.142  -0.142
 1108   1HH2  ARG 149          HH21      ARG 149  29.875   0.437   0.437
 1109   2HH2  ARG 149          HH22      ARG 149  30.462   0.809   0.809
 1110    H    GLN 150           HN       GLN 150  22.158  -3.619  -3.619
 1111    HA   GLN 150           HA       GLN 150  23.161  -4.272  -4.272
 1112   1HB   GLN 150           HB1      GLN 150  21.935  -5.963  -5.963
 1113   2HB   GLN 150           HB2      GLN 150  20.582  -4.881  -4.881
 1114   1HG   GLN 150           HG1      GLN 150  19.759  -6.179  -6.179
 1115   2HG   GLN 150           HG2      GLN 150  20.414  -4.813  -4.813
 1116   1HE2  GLN 150          HE22      GLN 150  22.684  -8.220  -8.220
 1117   2HE2  GLN 150          HE21      GLN 150  21.943  -7.653  -7.653
 1118    H    ARG 151           HN       ARG 151  19.847  -3.188  -3.188
 1119    HA   ARG 151           HA       ARG 151  19.717  -1.820  -1.820
 1120   1HB   ARG 151           HB2      ARG 151  17.847  -2.875  -2.875
 1121   2HB   ARG 151           HB1      ARG 151  17.654  -1.143  -1.143
 1122   1HG   ARG 151           HG2      ARG 151  16.200  -1.414  -1.414
 1123   2HG   ARG 151           HG1      ARG 151  17.668  -1.193  -1.193
 1124   1HD   ARG 151           HD2      ARG 151  17.484  -3.936  -3.936
 1125   2HD   ARG 151           HD1      ARG 151  15.913  -3.430  -3.430
 1126    HE   ARG 151           HE       ARG 151  18.016  -2.508  -2.508
 1127   1HH1  ARG 151          HH21      ARG 151  16.190  -5.354  -5.354
 1128   2HH1  ARG 151          HH22      ARG 151  16.412  -6.107  -6.107
 1129   1HH2  ARG 151          HH11      ARG 151  18.317  -3.492  -3.492
 1130   2HH2  ARG 151          HH12      ARG 151  17.623  -5.048  -5.048
 1131    H    GLY 152           HN       GLY 152  21.669  -0.503  -0.503
 1132   1HA   GLY 152           HA1      GLY 152  21.490   1.518   1.518
 1133   2HA   GLY 152           HA2      GLY 152  22.690   1.427   1.427
 1134    H    ALA 153           HN       ALA 153  19.153   1.712   1.712
 1135    HA   ALA 153           HA       ALA 153  19.151   3.570   3.570
 1136   1HB   ALA 153           HB3      ALA 153  17.219   2.238   2.238
 1137   2HB   ALA 153           HB2      ALA 153  17.007   3.840   3.840
 1138   3HB   ALA 153           HB1      ALA 153  16.895   3.628   3.628
 1139    H    GLN 154           HN       GLN 154  19.624   5.706   5.706
 1140    HA   GLN 154           HA       GLN 154  20.709   7.606   7.606
 1141   1HB   GLN 154           HB2      GLN 154  18.551   8.306   8.306
 1142   2HB   GLN 154           HB1      GLN 154  19.035   9.059   9.059
 1143   1HG   GLN 154           HG2      GLN 154  16.780   8.373   8.373
 1144   2HG   GLN 154           HG1      GLN 154  17.769   7.313   7.313
 1145   1HE2  GLN 154          HE22      GLN 154  16.808   5.453   5.453
 1146   2HE2  GLN 154          HE21      GLN 154  17.710   6.922   6.922
 1147    H    ASN 155           HN       ASN 155  20.122   8.935   8.935
 1148    HA   ASN 155           HA       ASN 155  22.144   7.672   7.672
 1149   1HB   ASN 155           HB2      ASN 155  20.396  10.045  10.045
 1150   2HB   ASN 155           HB1      ASN 155  21.884   9.577   9.577
 1151   1HD2  ASN 155          HD22      ASN 155  23.841  10.410  10.410
 1152   2HD2  ASN 155          HD21      ASN 155  23.557   9.003   9.003
 1153    H    LEU 156           HN       LEU 156  19.978   5.866   5.866
 1154    HA   LEU 156           HA       LEU 156  18.278   6.091   6.091
 1155   1HB   LEU 156           HB2      LEU 156  17.141   4.415   4.415
 1156   2HB   LEU 156           HB1      LEU 156  18.230   4.558   4.558
 1157    HG   LEU 156           HG       LEU 156  19.698   2.833   2.833
 1158   1HD1  LEU 156          HD22      LEU 156  17.472   3.015   3.015
 1159   2HD1  LEU 156          HD21      LEU 156  18.020   1.387   1.387
 1160   3HD1  LEU 156          HD23      LEU 156  19.159   2.566   2.566
 1161   1HD2  LEU 156          HD13      LEU 156  16.906   2.091   2.091
 1162   2HD2  LEU 156          HD12      LEU 156  18.332   2.233   2.233
 1163   3HD2  LEU 156          HD11      LEU 156  18.238   0.949   0.949
 1164    H    MET 157           HN       MET 157  21.089   4.032   4.032
 1165    HA   MET 157           HA       MET 157  21.215   2.623   2.623
 1166   1HB   MET 157           HB2      MET 157  23.761   2.691   2.691
 1167   2HB   MET 157           HB1      MET 157  22.700   1.922   1.922
 1168   1HG   MET 157           HG1      MET 157  23.131   4.774   4.774
 1169   2HG   MET 157           HG2      MET 157  24.592   3.793   3.793
 1170   1HE   MET 157           HE3      MET 157  24.364   1.438   1.438
 1171   2HE   MET 157           HE2      MET 157  23.411   0.966   0.966
 1172   3HE   MET 157           HE1      MET 157  24.864   1.942   1.942
 1173    H    ASP 158           HN       ASP 158  22.105   5.928   5.928
 1174    HA   ASP 158           HA       ASP 158  23.568   6.335   6.335
 1175   1HB   ASP 158           HB1      ASP 158  22.958   7.837   7.837
 1176   2HB   ASP 158           HB2      ASP 158  22.570   8.813   8.813
 1177    H    ILE 159           HN       ILE 159  20.306   7.239   7.239
 1178    HA   ILE 159           HA       ILE 159  19.446   8.586   8.586
 1179    HB   ILE 159           HB       ILE 159  17.316   6.869   6.869
 1180   1HG1  ILE 159          HG11      ILE 159  18.773   8.565   8.565
 1181   2HG1  ILE 159          HG12      ILE 159  18.735   6.813   6.813
 1182   1HG2  ILE 159          HG21      ILE 159  17.893   9.789   9.789
 1183   2HG2  ILE 159          HG23      ILE 159  16.464   9.191   9.191
 1184   3HG2  ILE 159          HG22      ILE 159  16.696   8.835   8.835
 1185   1HD1  ILE 159          HD11      ILE 159  16.299   6.879   6.879
 1186   2HD1  ILE 159          HD13      ILE 159  16.398   8.635   8.635
 1187   3HD1  ILE 159          HD12      ILE 159  17.190   7.612   7.612
 1188    H    LEU 160           HN       LEU 160  18.850   5.122   5.122
 1189    HA   LEU 160           HA       LEU 160  17.798   4.512   4.512
 1190   1HB   LEU 160           HB2      LEU 160  19.298   2.774   2.774
 1191   2HB   LEU 160           HB1      LEU 160  18.488   2.154   2.154
 1192    HG   LEU 160           HG       LEU 160  16.361   3.229   3.229
 1193   1HD1  LEU 160          HD22      LEU 160  18.225   3.414   3.414
 1194   2HD1  LEU 160          HD21      LEU 160  16.479   3.280   3.280
 1195   3HD1  LEU 160          HD23      LEU 160  17.159   4.651   4.651
 1196   1HD2  LEU 160          HD11      LEU 160  17.762   0.781   0.781
 1197   2HD2  LEU 160          HD13      LEU 160  16.209   0.970   0.970
 1198   3HD2  LEU 160          HD12      LEU 160  16.339   1.270   1.270
 1199    H    GLN 161           HN       GLN 161  21.079   3.698   3.698
 1200    HA   GLN 161           HA       GLN 161  22.131   2.909   2.909
 1201   1HB   GLN 161           HB2      GLN 161  24.090   2.749   2.749
 1202   2HB   GLN 161           HB1      GLN 161  23.079   3.062   3.062
 1203   1HG   GLN 161           HG1      GLN 161  23.637   5.454   5.454
 1204   2HG   GLN 161           HG2      GLN 161  24.709   5.091   5.091
 1205   1HE2  GLN 161          HE22      GLN 161  27.299   4.852   4.852
 1206   2HE2  GLN 161          HE21      GLN 161  26.616   5.644   5.644
 1207    H    GLY 162           HN       GLY 162  21.791   6.158   6.158
 1208   1HA   GLY 162           HA1      GLY 162  23.362   7.490   7.490
 1209   2HA   GLY 162           HA2      GLY 162  22.126   8.231   8.231
 1210    H    HIS 163           HN       HIS 163  19.851   6.984   6.984
 1211    HA   HIS 163           HA       HIS 163  19.314   8.235   8.235
 1212   1HB   HIS 163           HB2      HIS 163  17.799   7.143   7.143
 1213   2HB   HIS 163           HB1      HIS 163  17.186   6.491   6.491
 1214    HD2  HIS 163           HD2      HIS 163  16.047   9.080   9.080
 1215    HE1  HIS 163           HE1      HIS 163  16.008  10.949  10.949
 1216    HE2  HIS 163           HE2      HIS 163  15.043  10.980  10.980
 1217    H    MET 164           HN       MET 164  20.384   5.135   5.135
 1218    HA   MET 164           HA       MET 164  19.350   3.677   3.677
 1219   1HB   MET 164           HB1      MET 164  20.360   2.938   2.938
 1220   2HB   MET 164           HB2      MET 164  21.755   2.650   2.650
 1221   1HG   MET 164           HG1      MET 164  20.042   1.396   1.396
 1222   2HG   MET 164           HG2      MET 164  19.077   1.342   1.342
 1223   1HE   MET 164           HE2      MET 164  21.350   1.375   1.375
 1224   2HE   MET 164           HE1      MET 164  21.887  -0.280  -0.280
 1225   3HE   MET 164           HE3      MET 164  20.166   0.103   0.103
 1226    H    MET 165           HN       MET 165  21.534   2.232   2.232
 1227    HA   MET 165           HA       MET 165  23.504   4.108   4.108
 1228   1HB   MET 165           HB2      MET 165  21.417   4.069   4.069
 1229   2HB   MET 165           HB1      MET 165  21.971   2.467   2.467
 1230   1HG   MET 165           HG1      MET 165  22.717   4.141   4.141
 1231   2HG   MET 165           HG2      MET 165  24.087   3.408   3.408
 1232   1HE   MET 165           HE2      MET 165  25.875   4.569   4.569
 1233   2HE   MET 165           HE1      MET 165  25.672   5.053   5.053
 1234   3HE   MET 165           HE3      MET 165  26.113   6.253   6.253
 1235    H    ILE 166           HN       ILE 166  24.527   2.500   2.500
 1236    HA   ILE 166           HA       ILE 166  25.708   0.354   0.354
 1237    HB   ILE 166           HB       ILE 166  23.834  -0.617  -0.617
 1238   1HG1  ILE 166          HG11      ILE 166  25.819  -2.142  -2.142
 1239   2HG1  ILE 166          HG12      ILE 166  26.593  -1.486  -1.486
 1240   1HG2  ILE 166          HG22      ILE 166  25.039   0.928   0.928
 1241   2HG2  ILE 166          HG21      ILE 166  25.203  -0.768  -0.768
 1242   3HG2  ILE 166          HG23      ILE 166  23.608  -0.098  -0.098
 1243   1HD1  ILE 166          HD11      ILE 166  23.923  -2.824  -2.824
 1244   2HD1  ILE 166          HD13      ILE 166  25.423  -3.750  -3.750
 1245   3HD1  ILE 166          HD12      ILE 166  25.108  -2.555  -2.555
 1246    HA   PRO 167           HA       PRO 167  28.563   2.787   2.787
 1247   1HB   PRO 167           HB2      PRO 167  29.822   4.328   4.328
 1248   2HB   PRO 167           HB1      PRO 167  28.338   4.837   4.837
 1249   1HG   PRO 167           HG2      PRO 167  28.696   3.659   3.659
 1250   2HG   PRO 167           HG1      PRO 167  27.665   5.008   5.008
 1251   1HD   PRO 167           HD2      PRO 167  26.715   2.495   2.495
 1252   2HD   PRO 167           HD1      PRO 167  26.011   3.612   3.612
 1253    H    MET 168           HN       MET 168  30.986   2.820   2.820
 1254    HA   MET 168           HA       MET 168  32.094   0.911   0.911
 1255   1HB   MET 168           HB2      MET 168  32.401   0.638   0.638
 1256   2HB   MET 168           HB1      MET 168  33.245  -0.329  -0.329
 1257   1HG   MET 168           HG1      MET 168  30.251  -0.234  -0.234
 1258   2HG   MET 168           HG2      MET 168  31.261  -1.416  -1.416
 1259   1HE   MET 168           HE2      MET 168  29.029  -2.413  -2.413
 1260   2HE   MET 168           HE1      MET 168  29.298  -3.065  -3.065
 1261   3HE   MET 168           HE3      MET 168  28.910  -1.357  -1.357

  Start of MODEL    5
    1   1H    GLY   1           HT1      GLY   1 -32.551 -21.398 -21.398
    2   2H    GLY   1           HT3      GLY   1 -33.760 -21.030 -21.030
    3   3H    GLY   1           HT2      GLY   1 -32.476 -22.042 -22.042
    4   1HA   GLY   1           HA1      GLY   1 -32.083 -19.908 -19.908
    5   2HA   GLY   1           HA2      GLY   1 -32.348 -19.140 -19.140
    6    H    SER   2           HN       SER   2 -30.222 -18.183 -18.183
    7    HA   SER   2           HA       SER   2 -27.920 -19.924 -19.924
    8   1HB   SER   2           HB1      SER   2 -27.650 -16.981 -16.981
    9   2HB   SER   2           HB2      SER   2 -26.668 -18.088 -18.088
   10    HG   SER   2           HG       SER   2 -28.582 -18.223 -18.223
   11    H    MET   3           HN       MET   3 -28.901 -17.127 -17.127
   12    HA   MET   3           HA       MET   3 -28.559 -16.641 -16.641
   13   1HB   MET   3           HB1      MET   3 -29.622 -19.326 -19.326
   14   2HB   MET   3           HB2      MET   3 -28.596 -19.143 -19.143
   15   1HG   MET   3           HG1      MET   3 -30.750 -17.164 -17.164
   16   2HG   MET   3           HG2      MET   3 -31.086 -18.648 -18.648
   17   1HE   MET   3           HE2      MET   3 -32.108 -16.657 -16.657
   18   2HE   MET   3           HE1      MET   3 -31.604 -18.030 -18.030
   19   3HE   MET   3           HE3      MET   3 -31.217 -16.387 -16.387
   20    H    LEU   4           HN       LEU   4 -26.216 -16.689 -16.689
   21    HA   LEU   4           HA       LEU   4 -24.382 -17.812 -17.812
   22   1HB   LEU   4           HB2      LEU   4 -24.612 -18.993 -18.993
   23   2HB   LEU   4           HB1      LEU   4 -23.464 -17.741 -17.741
   24    HG   LEU   4           HG       LEU   4 -22.486 -18.885 -18.885
   25   1HD1  LEU   4          HD13      LEU   4 -23.680 -20.896 -20.896
   26   2HD1  LEU   4          HD12      LEU   4 -22.225 -21.276 -21.276
   27   3HD1  LEU   4          HD11      LEU   4 -23.714 -20.847 -20.847
   28   1HD2  LEU   4          HD21      LEU   4 -21.664 -19.227 -19.227
   29   2HD2  LEU   4          HD23      LEU   4 -21.111 -17.981 -17.981
   30   3HD2  LEU   4          HD22      LEU   4 -20.676 -19.668 -19.668
   31    H    LEU   5           HN       LEU   5 -25.565 -15.101 -15.101
   32    HA   LEU   5           HA       LEU   5 -24.901 -12.928 -12.928
   33   1HB   LEU   5           HB1      LEU   5 -23.724 -13.760 -13.760
   34   2HB   LEU   5           HB2      LEU   5 -22.273 -13.872 -13.872
   35    HG   LEU   5           HG       LEU   5 -22.668 -11.383 -11.383
   36   1HD1  LEU   5          HD22      LEU   5 -24.459 -11.730 -11.730
   37   2HD1  LEU   5          HD21      LEU   5 -23.867 -10.177 -10.177
   38   3HD1  LEU   5          HD23      LEU   5 -24.920 -11.162 -11.162
   39   1HD2  LEU   5          HD11      LEU   5 -21.391 -12.725 -12.725
   40   2HD2  LEU   5          HD13      LEU   5 -20.902 -11.254 -11.254
   41   3HD2  LEU   5          HD12      LEU   5 -21.986 -11.158 -11.158
   42    H    GLU   6           HN       GLU   6 -24.477 -11.914 -11.914
   43    HA   GLU   6           HA       GLU   6 -21.965 -11.785 -11.785
   44   1HB   GLU   6           HB2      GLU   6 -22.373 -14.099 -14.099
   45   2HB   GLU   6           HB1      GLU   6 -23.909 -13.642 -13.642
   46   1HG   GLU   6           HG1      GLU   6 -22.886 -13.264 -13.264
   47   2HG   GLU   6           HG2      GLU   6 -21.922 -12.002 -12.002
   48    H    GLU   7           HN       GLU   7 -22.169  -9.694  -9.694
   49    HA   GLU   7           HA       GLU   7 -24.574  -8.828  -8.828
   50   1HB   GLU   7           HB2      GLU   7 -22.996  -7.617  -7.617
   51   2HB   GLU   7           HB1      GLU   7 -23.365  -6.514  -6.514
   52   1HG   GLU   7           HG2      GLU   7 -25.610  -8.145  -8.145
   53   2HG   GLU   7           HG1      GLU   7 -24.979  -6.926  -6.926
   54    H    VAL   8           HN       VAL   8 -24.136  -8.849  -8.849
   55    HA   VAL   8           HA       VAL   8 -21.571  -7.705  -7.705
   56    HB   VAL   8           HB       VAL   8 -23.332  -9.693  -9.693
   57   1HG1  VAL   8          HG12      VAL   8 -20.897  -8.167  -8.167
   58   2HG1  VAL   8          HG11      VAL   8 -21.137  -9.799  -9.799
   59   3HG1  VAL   8          HG13      VAL   8 -22.343  -8.550  -8.550
   60   1HG2  VAL   8          HG21      VAL   8 -21.332 -10.057 -10.057
   61   2HG2  VAL   8          HG23      VAL   8 -22.241 -11.280 -11.280
   62   3HG2  VAL   8          HG22      VAL   8 -20.715 -10.670 -10.670
   63    H    CYS   9           HN       CYS   9 -24.876  -7.176  -7.176
   64    HA   CYS   9           HA       CYS   9 -25.697  -6.116  -6.116
   65   1HB   CYS   9           HB2      CYS   9 -27.252  -6.094  -6.094
   66   2HB   CYS   9           HB1      CYS   9 -26.174  -5.183  -5.183
   67    HG   CYS   9           HG       CYS   9 -26.728  -3.043  -3.043
   68    H    VAL  10           HN       VAL  10 -23.574  -4.570  -4.570
   69    HA   VAL  10           HA       VAL  10 -23.256  -2.253  -2.253
   70    HB   VAL  10           HB       VAL  10 -23.598  -1.775  -1.775
   71   1HG1  VAL  10          HG22      VAL  10 -21.567  -3.848  -3.848
   72   2HG1  VAL  10          HG21      VAL  10 -21.279  -2.421  -2.421
   73   3HG1  VAL  10          HG23      VAL  10 -22.806  -3.293  -3.293
   74   1HG2  VAL  10          HG13      VAL  10 -22.051  -0.394  -0.394
   75   2HG2  VAL  10          HG12      VAL  10 -21.902  -0.172  -0.172
   76   3HG2  VAL  10          HG11      VAL  10 -20.722  -1.156  -1.156
   77    H    GLY  11           HN       GLY  11 -21.767  -5.216  -5.216
   78   1HA   GLY  11           HA2      GLY  11 -19.058  -4.752  -4.752
   79   2HA   GLY  11           HA1      GLY  11 -19.847  -6.163  -6.163
   80    H    ASP  12           HN       ASP  12 -17.736  -3.873  -3.873
   81    HA   ASP  12           HA       ASP  12 -16.783  -3.443  -3.443
   82   1HB   ASP  12           HB1      ASP  12 -18.358  -5.387  -5.387
   83   2HB   ASP  12           HB2      ASP  12 -19.330  -4.068  -4.068
   84    H    ARG  13           HN       ARG  13 -19.124  -1.978  -1.978
   85    HA   ARG  13           HA       ARG  13 -20.055  -0.022  -0.022
   86   1HB   ARG  13           HB2      ARG  13 -21.261  -0.656  -0.656
   87   2HB   ARG  13           HB1      ARG  13 -19.994   0.140   0.140
   88   1HG   ARG  13           HG1      ARG  13 -21.940   1.569   1.569
   89   2HG   ARG  13           HG2      ARG  13 -20.551   2.267   2.267
   90   1HD   ARG  13           HD2      ARG  13 -21.516   2.088   2.088
   91   2HD   ARG  13           HD1      ARG  13 -22.233   0.520   0.520
   92    HE   ARG  13           HE       ARG  13 -23.632   2.392   2.392
   93   1HH1  ARG  13          HH21      ARG  13 -23.012   1.722   1.722
   94   2HH1  ARG  13          HH22      ARG  13 -24.518   2.382   2.382
   95   1HH2  ARG  13          HH11      ARG  13 -25.620   3.264   3.264
   96   2HH2  ARG  13          HH12      ARG  13 -26.001   3.258   3.258
   97    H    LEU  14           HN       LEU  14 -18.179   0.597   0.597
   98    HA   LEU  14           HA       LEU  14 -17.025   2.965   2.965
   99   1HB   LEU  14           HB2      LEU  14 -17.146   3.250   3.250
  100   2HB   LEU  14           HB1      LEU  14 -16.987   1.538   1.538
  101    HG   LEU  14           HG       LEU  14 -14.513   1.791   1.791
  102   1HD1  LEU  14          HD22      LEU  14 -15.022   4.082   4.082
  103   2HD1  LEU  14          HD21      LEU  14 -14.880   4.708   4.708
  104   3HD1  LEU  14          HD23      LEU  14 -13.525   3.853   3.853
  105   1HD2  LEU  14          HD11      LEU  14 -15.979   2.215   2.215
  106   2HD2  LEU  14          HD13      LEU  14 -14.247   1.897   1.897
  107   3HD2  LEU  14          HD12      LEU  14 -14.837   3.558   3.558
  108    H    SER  15           HN       SER  15 -16.138  -0.366  -0.366
  109    HA   SER  15           HA       SER  15 -13.342  -0.112  -0.112
  110   1HB   SER  15           HB2      SER  15 -13.410  -2.355  -2.355
  111   2HB   SER  15           HB1      SER  15 -15.163  -2.216  -2.216
  112    HG   SER  15           HG       SER  15 -13.853  -3.354  -3.354
  113    H    GLY  16           HN       GLY  16 -15.936  -0.535  -0.535
  114   1HA   GLY  16           HA2      GLY  16 -14.188  -0.437  -0.437
  115   2HA   GLY  16           HA1      GLY  16 -15.935  -0.266  -0.266
  116    H    ALA  17           HN       ALA  17 -15.920   2.003   2.003
  117    HA   ALA  17           HA       ALA  17 -15.613   4.079   4.079
  118   1HB   ALA  17           HB1      ALA  17 -16.412   4.002   4.002
  119   2HB   ALA  17           HB3      ALA  17 -16.118   5.541   5.541
  120   3HB   ALA  17           HB2      ALA  17 -17.368   4.451   4.451
  121    H    ALA  18           HN       ALA  18 -14.137   3.750   3.750
  122    HA   ALA  18           HA       ALA  18 -12.192   5.703   5.703
  123   1HB   ALA  18           HB3      ALA  18 -12.820   3.672   3.672
  124   2HB   ALA  18           HB2      ALA  18 -11.076   3.707   3.707
  125   3HB   ALA  18           HB1      ALA  18 -11.923   5.174   5.174
  126    H    ALA  19           HN       ALA  19 -12.162   2.322   2.322
  127    HA   ALA  19           HA       ALA  19  -9.391   2.229   2.229
  128   1HB   ALA  19           HB1      ALA  19 -10.730   0.223   0.223
  129   2HB   ALA  19           HB3      ALA  19 -11.616   0.450   0.450
  130   3HB   ALA  19           HB2      ALA  19  -9.889   0.098   0.098
  131    H    ARG  20           HN       ARG  20 -12.246   3.294   3.294
  132    HA   ARG  20           HA       ARG  20 -11.168   3.170   3.170
  133   1HB   ARG  20           HB1      ARG  20 -13.162   4.109   4.109
  134   2HB   ARG  20           HB2      ARG  20 -13.649   3.296   3.296
  135   1HG   ARG  20           HG2      ARG  20 -14.513   5.211   5.211
  136   2HG   ARG  20           HG1      ARG  20 -12.878   5.865   5.865
  137   1HD   ARG  20           HD1      ARG  20 -14.194   7.340   7.340
  138   2HD   ARG  20           HD2      ARG  20 -13.063   6.494   6.494
  139    HE   ARG  20           HE       ARG  20 -15.393   5.016   5.016
  140   1HH1  ARG  20          HH21      ARG  20 -14.420   8.251   8.251
  141   2HH1  ARG  20          HH22      ARG  20 -15.610   8.426   8.426
  142   1HH2  ARG  20          HH11      ARG  20 -16.962   5.233   5.233
  143   2HH2  ARG  20          HH12      ARG  20 -17.056   6.709   6.709
  144    H    GLY  21           HN       GLY  21 -11.104   5.508   5.508
  145   1HA   GLY  21           HA2      GLY  21  -9.416   7.173   7.173
  146   2HA   GLY  21           HA1      GLY  21  -9.275   7.144   7.144
  147    H    ASP  22           HN       ASP  22 -11.590   7.983   7.983
  148    HA   ASP  22           HA       ASP  22 -12.170  10.473  10.473
  149   1HB   ASP  22           HB2      ASP  22 -14.574   9.069   9.069
  150   2HB   ASP  22           HB1      ASP  22 -13.855   8.409   8.409
  151    H    VAL  23           HN       VAL  23 -10.938  11.261  11.261
  152    HA   VAL  23           HA       VAL  23 -11.513  10.874  10.874
  153    HB   VAL  23           HB       VAL  23  -9.558  12.092  12.092
  154   1HG1  VAL  23          HG11      VAL  23 -11.248  13.406  13.406
  155   2HG1  VAL  23          HG13      VAL  23 -10.424  14.614  14.614
  156   3HG1  VAL  23          HG12      VAL  23  -9.488  13.405  13.405
  157   1HG2  VAL  23          HG23      VAL  23 -11.159  12.863  12.863
  158   2HG2  VAL  23          HG22      VAL  23  -9.631  13.675  13.675
  159   3HG2  VAL  23          HG21      VAL  23 -11.144  14.368  14.368
  160    H    GLN  24           HN       GLN  24 -13.373  12.501  12.501
  161    HA   GLN  24           HA       GLN  24 -14.824  14.218  14.218
  162   1HB   GLN  24           HB2      GLN  24 -14.891  13.504  13.504
  163   2HB   GLN  24           HB1      GLN  24 -16.483  13.805  13.805
  164   1HG   GLN  24           HG2      GLN  24 -14.692  15.839  15.839
  165   2HG   GLN  24           HG1      GLN  24 -14.570  15.679  15.679
  166   1HE2  GLN  24          HE22      GLN  24 -18.246  16.222  16.222
  167   2HE2  GLN  24          HE21      GLN  24 -17.197  14.885  14.885
  168    H    GLU  25           HN       GLU  25 -15.505  11.075  11.075
  169    HA   GLU  25           HA       GLU  25 -18.023  10.763  10.763
  170   1HB   GLU  25           HB1      GLU  25 -18.205   8.747   8.747
  171   2HB   GLU  25           HB2      GLU  25 -17.135   9.650   9.650
  172   1HG   GLU  25           HG1      GLU  25 -16.677   7.134   7.134
  173   2HG   GLU  25           HG2      GLU  25 -15.430   8.247   8.247
  174    H    VAL  26           HN       VAL  26 -14.733   9.638   9.638
  175    HA   VAL  26           HA       VAL  26 -15.186   7.797   7.797
  176    HB   VAL  26           HB       VAL  26 -12.950   8.582   8.582
  177   1HG1  VAL  26          HG23      VAL  26 -13.280  10.872  10.872
  178   2HG1  VAL  26          HG22      VAL  26 -12.539  10.022  10.022
  179   3HG1  VAL  26          HG21      VAL  26 -11.670  10.172  10.172
  180   1HG2  VAL  26          HG13      VAL  26 -13.568   6.871   6.871
  181   2HG2  VAL  26          HG12      VAL  26 -11.954   7.077   7.077
  182   3HG2  VAL  26          HG11      VAL  26 -12.405   7.932   7.932
  183    H    ARG  27           HN       ARG  27 -15.106  11.302  11.302
  184    HA   ARG  27           HA       ARG  27 -15.172  11.477  11.477
  185   1HB   ARG  27           HB1      ARG  27 -15.473  13.366  13.366
  186   2HB   ARG  27           HB2      ARG  27 -16.029  13.880  13.880
  187   1HG   ARG  27           HG2      ARG  27 -13.826  13.529  13.529
  188   2HG   ARG  27           HG1      ARG  27 -13.253  12.897  12.897
  189   1HD   ARG  27           HD1      ARG  27 -13.835  15.104  15.104
  190   2HD   ARG  27           HD2      ARG  27 -14.171  15.702  15.702
  191    HE   ARG  27           HE       ARG  27 -11.574  15.163  15.163
  192   1HH1  ARG  27          HH21      ARG  27 -13.418  15.762  15.762
  193   2HH1  ARG  27          HH22      ARG  27 -12.050  16.295  16.295
  194   1HH2  ARG  27          HH11      ARG  27  -9.764  15.864  15.864
  195   2HH2  ARG  27          HH12      ARG  27  -9.971  16.355  16.355
  196    H    ARG  28           HN       ARG  28 -17.660  12.128  12.128
  197    HA   ARG  28           HA       ARG  28 -19.753  12.461  12.461
  198   1HB   ARG  28           HB2      ARG  28 -20.531  11.512  11.512
  199   2HB   ARG  28           HB1      ARG  28 -21.075  12.921  12.921
  200   1HG   ARG  28           HG1      ARG  28 -18.691  13.833  13.833
  201   2HG   ARG  28           HG2      ARG  28 -18.771  12.627  12.627
  202   1HD   ARG  28           HD2      ARG  28 -20.498  15.029  15.029
  203   2HD   ARG  28           HD1      ARG  28 -19.625  14.537  14.537
  204    HE   ARG  28           HE       ARG  28 -21.787  12.802  12.802
  205   1HH1  ARG  28          HH11      ARG  28 -20.724  15.336  15.336
  206   2HH1  ARG  28          HH12      ARG  28 -21.996  15.075  15.075
  207   1HH2  ARG  28          HH21      ARG  28 -23.464  12.454  12.454
  208   2HH2  ARG  28          HH22      ARG  28 -23.555  13.439  13.439
  209    H    LEU  29           HN       LEU  29 -18.216   9.690   9.690
  210    HA   LEU  29           HA       LEU  29 -20.341   7.842   7.842
  211   1HB   LEU  29           HB2      LEU  29 -17.429   7.752   7.752
  212   2HB   LEU  29           HB1      LEU  29 -18.103   6.355   6.355
  213    HG   LEU  29           HG       LEU  29 -19.190   7.292   7.292
  214   1HD1  LEU  29          HD11      LEU  29 -16.794   6.942   6.942
  215   2HD1  LEU  29          HD13      LEU  29 -16.930   5.346   5.346
  216   3HD1  LEU  29          HD12      LEU  29 -17.727   5.678   5.678
  217   1HD2  LEU  29          HD22      LEU  29 -19.966   5.337   5.337
  218   2HD2  LEU  29          HD21      LEU  29 -20.519   5.520   5.520
  219   3HD2  LEU  29          HD23      LEU  29 -19.159   4.459   4.459
  220    H    LEU  30           HN       LEU  30 -17.610   8.115   8.115
  221    HA   LEU  30           HA       LEU  30 -18.985   6.621   6.621
  222   1HB   LEU  30           HB2      LEU  30 -16.549   8.349   8.349
  223   2HB   LEU  30           HB1      LEU  30 -17.062   6.995   6.995
  224    HG   LEU  30           HG       LEU  30 -16.636   6.238   6.238
  225   1HD1  LEU  30          HD13      LEU  30 -14.962   8.047   8.047
  226   2HD1  LEU  30          HD12      LEU  30 -14.256   7.223   7.223
  227   3HD1  LEU  30          HD11      LEU  30 -14.235   6.452   6.452
  228   1HD2  LEU  30          HD23      LEU  30 -16.600   5.074   5.074
  229   2HD2  LEU  30          HD22      LEU  30 -16.196   4.301   4.301
  230   3HD2  LEU  30          HD21      LEU  30 -14.924   5.021   5.021
  231    H    HIS  31           HN       HIS  31 -18.384  10.062  10.062
  232    HA   HIS  31           HA       HIS  31 -19.405  10.886  10.886
  233   1HB   HIS  31           HB1      HIS  31 -18.045  12.107  12.107
  234   2HB   HIS  31           HB2      HIS  31 -19.603  12.925  12.925
  235    HD2  HIS  31           HD2      HIS  31 -16.324  13.619  13.619
  236    HE1  HIS  31           HE1      HIS  31 -18.877  14.635  14.635
  237    HE2  HIS  31           HE2      HIS  31 -16.598  15.010  15.010
  238    H    ARG  32           HN       ARG  32 -20.839  10.403  10.403
  239    HA   ARG  32           HA       ARG  32 -23.436  11.218  11.218
  240   1HB   ARG  32           HB2      ARG  32 -23.001  10.962  10.962
  241   2HB   ARG  32           HB1      ARG  32 -24.118  11.999  11.999
  242   1HG   ARG  32           HG2      ARG  32 -21.447  12.722  12.722
  243   2HG   ARG  32           HG1      ARG  32 -21.600  12.655  12.655
  244   1HD   ARG  32           HD1      ARG  32 -23.854  13.953  13.953
  245   2HD   ARG  32           HD2      ARG  32 -22.315  14.774  14.774
  246    HE   ARG  32           HE       ARG  32 -22.580  14.161  14.161
  247   1HH1  ARG  32          HH21      ARG  32 -23.973  16.238  16.238
  248   2HH1  ARG  32          HH22      ARG  32 -24.424  17.472  17.472
  249   1HH2  ARG  32          HH11      ARG  32 -23.174  15.773  15.773
  250   2HH2  ARG  32          HH12      ARG  32 -23.970  17.205  17.205
  251    H    GLU  33           HN       GLU  33 -22.049   8.969   8.969
  252    HA   GLU  33           HA       GLU  33 -24.320   7.265   7.265
  253   1HB   GLU  33           HB2      GLU  33 -22.164   7.549   7.549
  254   2HB   GLU  33           HB1      GLU  33 -21.708   6.098   6.098
  255   1HG   GLU  33           HG1      GLU  33 -24.323   5.610   5.610
  256   2HG   GLU  33           HG2      GLU  33 -23.696   6.476   6.476
  257    H    LEU  34           HN       LEU  34 -22.027   7.776   7.776
  258    HA   LEU  34           HA       LEU  34 -21.219   6.570   6.570
  259   1HB   LEU  34           HB2      LEU  34 -23.884   5.188   5.188
  260   2HB   LEU  34           HB1      LEU  34 -22.909   5.675   5.675
  261    HG   LEU  34           HG       LEU  34 -23.900   7.855   7.855
  262   1HD1  LEU  34          HD13      LEU  34 -25.834   6.334   6.334
  263   2HD1  LEU  34          HD12      LEU  34 -25.730   6.387   6.387
  264   3HD1  LEU  34          HD11      LEU  34 -26.105   7.853   7.853
  265   1HD2  LEU  34          HD21      LEU  34 -22.599   7.755   7.755
  266   2HD2  LEU  34          HD23      LEU  34 -23.601   9.108   9.108
  267   3HD2  LEU  34          HD22      LEU  34 -24.271   7.881   7.881
  268    H    VAL  35           HN       VAL  35 -20.834   5.359   5.359
  269    HA   VAL  35           HA       VAL  35 -21.269   2.630   2.630
  270    HB   VAL  35           HB       VAL  35 -20.280   4.062   4.062
  271   1HG1  VAL  35          HG13      VAL  35 -18.464   4.905   4.905
  272   2HG1  VAL  35          HG12      VAL  35 -17.599   3.447   3.447
  273   3HG1  VAL  35          HG11      VAL  35 -18.046   4.652   4.652
  274   1HG2  VAL  35          HG21      VAL  35 -20.358   1.512   1.512
  275   2HG2  VAL  35          HG23      VAL  35 -19.230   2.254   2.254
  276   3HG2  VAL  35          HG22      VAL  35 -18.641   1.591   1.591
  277    H    HIS  36           HN       HIS  36 -20.093   0.814   0.814
  278    HA   HIS  36           HA       HIS  36 -18.586   1.138   1.138
  279   1HB   HIS  36           HB2      HIS  36 -20.243  -0.867  -0.867
  280   2HB   HIS  36           HB1      HIS  36 -18.637  -1.576  -1.576
  281    HD2  HIS  36           HD2      HIS  36 -21.592  -0.484  -0.484
  282    HE1  HIS  36           HE1      HIS  36 -18.496  -1.892  -1.892
  283    HE2  HIS  36           HE2      HIS  36 -20.963  -1.328  -1.328
  284    HA   PRO  37           HA       PRO  37 -14.623   0.959   0.959
  285   1HB   PRO  37           HB1      PRO  37 -13.116   0.502   0.502
  286   2HB   PRO  37           HB2      PRO  37 -13.865   2.069   2.069
  287   1HG   PRO  37           HG1      PRO  37 -14.775  -0.128  -0.128
  288   2HG   PRO  37           HG2      PRO  37 -14.748   1.622   1.622
  289   1HD   PRO  37           HD2      PRO  37 -16.999   0.271   0.271
  290   2HD   PRO  37           HD1      PRO  37 -16.710   1.966   1.966
  291    H    ASP  38           HN       ASP  38 -16.132  -1.660  -1.660
  292    HA   ASP  38           HA       ASP  38 -14.009  -3.508  -3.508
  293   1HB   ASP  38           HB1      ASP  38 -16.265  -4.382  -4.382
  294   2HB   ASP  38           HB2      ASP  38 -14.604  -4.961  -4.961
  295    H    ALA  39           HN       ALA  39 -16.625  -2.225  -2.225
  296    HA   ALA  39           HA       ALA  39 -18.330  -4.308  -4.308
  297   1HB   ALA  39           HB1      ALA  39 -18.605  -1.793  -1.793
  298   2HB   ALA  39           HB3      ALA  39 -17.665  -2.037  -2.037
  299   3HB   ALA  39           HB2      ALA  39 -19.201  -2.875  -2.875
  300    H    LEU  40           HN       LEU  40 -16.810  -6.077  -6.077
  301    HA   LEU  40           HA       LEU  40 -14.912  -6.129  -6.129
  302   1HB   LEU  40           HB2      LEU  40 -16.391  -8.506  -8.506
  303   2HB   LEU  40           HB1      LEU  40 -14.816  -8.501  -8.501
  304    HG   LEU  40           HG       LEU  40 -14.487  -6.766  -6.766
  305   1HD1  LEU  40          HD12      LEU  40 -16.783  -7.797  -7.797
  306   2HD1  LEU  40          HD11      LEU  40 -15.793  -9.177  -9.177
  307   3HD1  LEU  40          HD13      LEU  40 -15.499  -7.594  -7.594
  308   1HD2  LEU  40          HD21      LEU  40 -13.185  -8.854  -8.854
  309   2HD2  LEU  40          HD23      LEU  40 -12.832  -8.202  -8.202
  310   3HD2  LEU  40          HD22      LEU  40 -13.857  -9.627  -9.627
  311    H    ASN  41           HN       ASN  41 -14.998  -7.048  -7.048
  312    HA   ASN  41           HA       ASN  41 -17.473  -6.666  -6.666
  313   1HB   ASN  41           HB1      ASN  41 -15.090  -8.045  -8.045
  314   2HB   ASN  41           HB2      ASN  41 -16.263  -6.984  -6.984
  315   1HD2  ASN  41          HD22      ASN  41 -12.939  -5.313  -5.313
  316   2HD2  ASN  41          HD21      ASN  41 -13.333  -6.874  -6.874
  317    H    ARG  42           HN       ARG  42 -17.134  -8.815  -8.815
  318    HA   ARG  42           HA       ARG  42 -18.712 -10.803 -10.803
  319   1HB   ARG  42           HB2      ARG  42 -18.355  -9.944  -9.944
  320   2HB   ARG  42           HB1      ARG  42 -17.864 -11.632 -11.632
  321   1HG   ARG  42           HG2      ARG  42 -20.421 -10.870 -10.870
  322   2HG   ARG  42           HG1      ARG  42 -20.356 -10.942 -10.942
  323   1HD   ARG  42           HD2      ARG  42 -19.879 -13.214 -13.214
  324   2HD   ARG  42           HD1      ARG  42 -19.304 -13.206 -13.206
  325    HE   ARG  42           HE       ARG  42 -22.085 -12.553 -12.553
  326   1HH1  ARG  42          HH21      ARG  42 -19.781 -15.158 -15.158
  327   2HH1  ARG  42          HH22      ARG  42 -20.924 -16.302 -16.302
  328   1HH2  ARG  42          HH11      ARG  42 -23.600 -14.053 -14.053
  329   2HH2  ARG  42          HH12      ARG  42 -23.095 -15.674 -15.674
  330    H    PHE  43           HN       PHE  43 -15.387 -10.407 -10.407
  331    HA   PHE  43           HA       PHE  43 -14.736 -13.214 -13.214
  332   1HB   PHE  43           HB1      PHE  43 -13.435 -10.840 -10.840
  333   2HB   PHE  43           HB2      PHE  43 -12.413 -11.597 -11.597
  334    HD1  PHE  43           HD2      PHE  43 -14.146 -12.168 -12.168
  335    HD2  PHE  43           HD1      PHE  43 -11.187 -13.549 -13.549
  336    HE1  PHE  43           HE2      PHE  43 -13.345 -13.783 -13.783
  337    HE2  PHE  43           HE1      PHE  43 -10.381 -15.166 -15.166
  338    HZ   PHE  43           HZ       PHE  43 -11.455 -15.276 -15.276
  339    H    GLY  44           HN       GLY  44 -14.625 -10.399 -10.399
  340   1HA   GLY  44           HA1      GLY  44 -14.920 -10.763 -10.763
  341   2HA   GLY  44           HA2      GLY  44 -13.929 -12.205 -12.205
  342    H    LYS  45           HN       LYS  45 -13.112  -9.208  -9.208
  343    HA   LYS  45           HA       LYS  45 -10.666  -9.084  -9.084
  344   1HB   LYS  45           HB2      LYS  45 -11.480  -7.719  -7.719
  345   2HB   LYS  45           HB1      LYS  45  -9.957  -7.417  -7.417
  346   1HG   LYS  45           HG2      LYS  45  -9.235  -9.662  -9.662
  347   2HG   LYS  45           HG1      LYS  45 -10.824 -10.133 -10.133
  348   1HD   LYS  45           HD2      LYS  45  -9.364  -9.857  -9.857
  349   2HD   LYS  45           HD1      LYS  45 -10.515  -8.519  -8.519
  350   1HE   LYS  45           HE1      LYS  45  -8.739  -7.198  -7.198
  351   2HE   LYS  45           HE2      LYS  45  -7.621  -8.489  -8.489
  352   1HZ   LYS  45           HZ2      LYS  45  -9.228  -7.271  -7.271
  353   2HZ   LYS  45           HZ1      LYS  45  -7.923  -6.387  -6.387
  354   3HZ   LYS  45           HZ3      LYS  45  -7.666  -7.915  -7.915
  355    H    THR  46           HN       THR  46  -9.872  -6.973  -6.973
  356    HA   THR  46           HA       THR  46 -12.002  -5.490  -5.490
  357    HB   THR  46           HB       THR  46  -9.559  -4.247  -4.247
  358    HG1  THR  46           HG1      THR  46  -8.079  -5.708  -5.708
  359   1HG2  THR  46          HG22      THR  46 -11.511  -5.873  -5.873
  360   2HG2  THR  46          HG21      THR  46  -9.873  -6.105  -6.105
  361   3HG2  THR  46          HG23      THR  46 -10.576  -4.488  -4.488
  362    H    ALA  47           HN       ALA  47 -12.309  -3.236  -3.236
  363    HA   ALA  47           HA       ALA  47 -12.138  -2.207  -2.207
  364   1HB   ALA  47           HB1      ALA  47 -13.847  -1.615  -1.615
  365   2HB   ALA  47           HB3      ALA  47 -12.619  -0.567  -0.567
  366   3HB   ALA  47           HB2      ALA  47 -13.195  -0.266  -0.266
  367    H    LEU  48           HN       LEU  48 -10.102  -1.872  -1.872
  368    HA   LEU  48           HA       LEU  48  -8.593   0.343   0.343
  369   1HB   LEU  48           HB2      LEU  48  -8.852  -0.581  -0.581
  370   2HB   LEU  48           HB1      LEU  48  -7.529  -1.641  -1.641
  371    HG   LEU  48           HG       LEU  48  -6.122   0.320   0.320
  372   1HD1  LEU  48          HD23      LEU  48  -8.504   1.684   1.684
  373   2HD1  LEU  48          HD22      LEU  48  -7.835   2.251   2.251
  374   3HD1  LEU  48          HD21      LEU  48  -6.896   2.406   2.406
  375   1HD2  LEU  48          HD11      LEU  48  -6.915  -0.639  -0.639
  376   2HD2  LEU  48          HD13      LEU  48  -5.455   0.276   0.276
  377   3HD2  LEU  48          HD12      LEU  48  -6.908   1.118   1.118
  378    H    GLN  49           HN       GLN  49  -8.013  -3.161  -3.161
  379    HA   GLN  49           HA       GLN  49  -5.477  -3.101  -3.101
  380   1HB   GLN  49           HB1      GLN  49  -5.566  -5.393  -5.393
  381   2HB   GLN  49           HB2      GLN  49  -6.804  -5.024  -5.024
  382   1HG   GLN  49           HG2      GLN  49  -7.989  -6.503  -6.503
  383   2HG   GLN  49           HG1      GLN  49  -8.327  -5.083  -5.083
  384   1HE2  GLN  49          HE22      GLN  49  -5.816  -8.004  -8.004
  385   2HE2  GLN  49          HE21      GLN  49  -6.154  -7.840  -7.840
  386    H    VAL  50           HN       VAL  50  -8.600  -2.615  -2.615
  387    HA   VAL  50           HA       VAL  50  -7.693  -3.136  -3.136
  388    HB   VAL  50           HB       VAL  50 -10.057  -2.974  -2.974
  389   1HG1  VAL  50          HG11      VAL  50  -8.892  -5.102  -5.102
  390   2HG1  VAL  50          HG13      VAL  50 -10.005  -4.872  -4.872
  391   3HG1  VAL  50          HG12      VAL  50 -10.633  -5.103  -5.103
  392   1HG2  VAL  50          HG21      VAL  50 -10.519  -2.552  -2.552
  393   2HG2  VAL  50          HG23      VAL  50 -10.866  -1.417  -1.417
  394   3HG2  VAL  50          HG22      VAL  50 -11.788  -2.915  -2.915
  395    H    MET  51           HN       MET  51  -8.921  -0.646  -0.646
  396    HA   MET  51           HA       MET  51  -9.635   1.408   1.408
  397   1HB   MET  51           HB1      MET  51  -8.849   2.934   2.934
  398   2HB   MET  51           HB2      MET  51  -9.375   1.476   1.476
  399   1HG   MET  51           HG1      MET  51  -7.424   1.510   1.510
  400   2HG   MET  51           HG2      MET  51  -6.700   1.014   1.014
  401   1HE   MET  51           HE3      MET  51  -4.753   1.709   1.709
  402   2HE   MET  51           HE2      MET  51  -4.852   3.063   3.063
  403   3HE   MET  51           HE1      MET  51  -3.988   3.247   3.247
  404    H    MET  52           HN       MET  52  -8.451   3.325   3.325
  405    HA   MET  52           HA       MET  52  -5.985   2.487   2.487
  406   1HB   MET  52           HB1      MET  52  -8.285   3.656   3.656
  407   2HB   MET  52           HB2      MET  52  -7.167   5.008   5.008
  408   1HG   MET  52           HG1      MET  52  -6.037   2.579   2.579
  409   2HG   MET  52           HG2      MET  52  -7.349   3.315   3.315
  410   1HE   MET  52           HE1      MET  52  -7.480   5.770   5.770
  411   2HE   MET  52           HE3      MET  52  -6.716   6.604   6.604
  412   3HE   MET  52           HE2      MET  52  -6.095   6.823   6.823
  413    H    PHE  53           HN       PHE  53  -4.106   3.614   3.614
  414    HA   PHE  53           HA       PHE  53  -3.904   5.450   5.450
  415   1HB   PHE  53           HB2      PHE  53  -1.760   4.414   4.414
  416   2HB   PHE  53           HB1      PHE  53  -1.481   5.317   5.317
  417    HD1  PHE  53           HD2      PHE  53  -3.070   2.188   2.188
  418    HD2  PHE  53           HD1      PHE  53  -1.133   4.182   4.182
  419    HE1  PHE  53           HE2      PHE  53  -3.023   0.076   0.076
  420    HE2  PHE  53           HE1      PHE  53  -1.082   2.071   2.071
  421    HZ   PHE  53           HZ       PHE  53  -2.029   0.016   0.016
  422    H    GLY  54           HN       GLY  54  -5.036   5.971   5.971
  423   1HA   GLY  54           HA1      GLY  54  -3.453   7.980   7.980
  424   2HA   GLY  54           HA2      GLY  54  -5.184   7.781   7.781
  425    H    SER  55           HN       SER  55  -6.319   8.316   8.316
  426    HA   SER  55           HA       SER  55  -5.581  11.111  11.111
  427   1HB   SER  55           HB1      SER  55  -8.121   9.806   9.806
  428   2HB   SER  55           HB2      SER  55  -7.802  11.517  11.517
  429    HG   SER  55           HG       SER  55  -7.660   9.633   9.633
  430    HA   PRO  56           HA       PRO  56  -3.979  10.043  10.043
  431   1HB   PRO  56           HB2      PRO  56  -4.233  12.870  12.870
  432   2HB   PRO  56           HB1      PRO  56  -2.773  11.905  11.905
  433   1HG   PRO  56           HG2      PRO  56  -3.505  13.844  13.844
  434   2HG   PRO  56           HG1      PRO  56  -2.651  12.378  12.378
  435   1HD   PRO  56           HD2      PRO  56  -5.573  13.029  13.029
  436   2HD   PRO  56           HD1      PRO  56  -4.514  12.271  12.271
  437    H    ALA  57           HN       ALA  57  -6.641  12.404  12.404
  438    HA   ALA  57           HA       ALA  57  -7.503  12.070  12.070
  439   1HB   ALA  57           HB1      ALA  57  -8.579  13.308  13.308
  440   2HB   ALA  57           HB3      ALA  57  -9.777  12.826  12.826
  441   3HB   ALA  57           HB2      ALA  57  -8.480  13.937  13.937
  442    H    VAL  58           HN       VAL  58  -8.039  10.193  10.193
  443    HA   VAL  58           HA       VAL  58 -10.356   8.814   8.814
  444    HB   VAL  58           HB       VAL  58  -8.116   8.238   8.238
  445   1HG1  VAL  58          HG11      VAL  58 -10.244   6.332   6.332
  446   2HG1  VAL  58          HG13      VAL  58  -9.544   6.243   6.243
  447   3HG1  VAL  58          HG12      VAL  58  -8.515   6.057   6.057
  448   1HG2  VAL  58          HG23      VAL  58 -10.137   9.817   9.817
  449   2HG2  VAL  58          HG22      VAL  58  -9.657   8.701   8.701
  450   3HG2  VAL  58          HG21      VAL  58 -11.038   8.320   8.320
  451    H    ALA  59           HN       ALA  59  -6.908   8.105   8.105
  452    HA   ALA  59           HA       ALA  59  -7.217   5.633   5.633
  453   1HB   ALA  59           HB2      ALA  59  -5.000   7.630   7.630
  454   2HB   ALA  59           HB1      ALA  59  -4.862   6.254   6.254
  455   3HB   ALA  59           HB3      ALA  59  -5.086   5.985   5.985
  456    H    LEU  60           HN       LEU  60  -6.468   8.841   8.841
  457    HA   LEU  60           HA       LEU  60  -6.672   8.075   8.075
  458   1HB   LEU  60           HB2      LEU  60  -5.510  10.074  10.074
  459   2HB   LEU  60           HB1      LEU  60  -6.910  10.742  10.742
  460    HG   LEU  60           HG       LEU  60  -6.917  10.175  10.175
  461   1HD1  LEU  60          HD11      LEU  60  -5.483  12.247  12.247
  462   2HD1  LEU  60          HD13      LEU  60  -6.643  12.903  12.903
  463   3HD1  LEU  60          HD12      LEU  60  -5.395  11.781  11.781
  464   1HD2  LEU  60          HD22      LEU  60  -8.687  11.542  11.542
  465   2HD2  LEU  60          HD21      LEU  60  -9.091  10.567  10.567
  466   3HD2  LEU  60          HD23      LEU  60  -8.556  12.236  12.236
  467    H    GLU  61           HN       GLU  61  -9.044   9.547   9.547
  468    HA   GLU  61           HA       GLU  61 -11.087   9.892   9.892
  469   1HB   GLU  61           HB1      GLU  61 -11.067  10.966  10.966
  470   2HB   GLU  61           HB2      GLU  61 -11.348   9.401   9.401
  471   1HG   GLU  61           HG1      GLU  61 -13.350   9.785   9.785
  472   2HG   GLU  61           HG2      GLU  61 -13.240  11.259  11.259
  473    H    LEU  62           HN       LEU  62 -10.769   7.324   7.324
  474    HA   LEU  62           HA       LEU  62 -12.887   5.763   5.763
  475   1HB   LEU  62           HB2      LEU  62 -12.494   4.502   4.502
  476   2HB   LEU  62           HB1      LEU  62 -11.282   5.694   5.694
  477    HG   LEU  62           HG       LEU  62  -9.607   4.264   4.264
  478   1HD1  LEU  62          HD21      LEU  62 -11.945   2.877   2.877
  479   2HD1  LEU  62          HD23      LEU  62 -11.032   1.808   1.808
  480   3HD1  LEU  62          HD22      LEU  62 -10.276   2.464   2.464
  481   1HD2  LEU  62          HD13      LEU  62 -10.539   4.151   4.151
  482   2HD2  LEU  62          HD12      LEU  62  -9.025   3.480   3.480
  483   3HD2  LEU  62          HD11      LEU  62 -10.465   2.464   2.464
  484    H    LEU  63           HN       LEU  63  -9.380   5.544   5.544
  485    HA   LEU  63           HA       LEU  63  -9.420   3.263   3.263
  486   1HB   LEU  63           HB2      LEU  63  -7.397   4.176   4.176
  487   2HB   LEU  63           HB1      LEU  63  -7.436   5.538   5.538
  488    HG   LEU  63           HG       LEU  63  -7.321   2.784   2.784
  489   1HD1  LEU  63          HD13      LEU  63  -5.156   4.143   4.143
  490   2HD1  LEU  63          HD12      LEU  63  -4.736   3.241   3.241
  491   3HD1  LEU  63          HD11      LEU  63  -5.550   2.428   2.428
  492   1HD2  LEU  63          HD21      LEU  63  -7.231   5.402   5.402
  493   2HD2  LEU  63          HD23      LEU  63  -6.951   3.905   3.905
  494   3HD2  LEU  63          HD22      LEU  63  -5.593   4.766   4.766
  495    H    LYS  64           HN       LYS  64  -9.941   6.655   6.655
  496    HA   LYS  64           HA       LYS  64  -9.625   6.584   6.584
  497   1HB   LYS  64           HB2      LYS  64 -10.812   8.407   8.407
  498   2HB   LYS  64           HB1      LYS  64 -11.505   8.520   8.520
  499   1HG   LYS  64           HG1      LYS  64  -8.837   8.505   8.505
  500   2HG   LYS  64           HG2      LYS  64  -8.893   9.375   9.375
  501   1HD   LYS  64           HD2      LYS  64 -10.614  10.873  10.873
  502   2HD   LYS  64           HD1      LYS  64 -10.437  10.043  10.043
  503   1HE   LYS  64           HE1      LYS  64  -7.961  10.637  10.637
  504   2HE   LYS  64           HE2      LYS  64  -8.432  11.744  11.744
  505   1HZ   LYS  64           HZ2      LYS  64  -9.844  11.869  11.869
  506   2HZ   LYS  64           HZ1      LYS  64  -8.302  12.554  12.554
  507   3HZ   LYS  64           HZ3      LYS  64  -9.549  13.098  13.098
  508    H    GLN  65           HN       GLN  65 -12.472   6.103   6.103
  509    HA   GLN  65           HA       GLN  65 -14.498   5.959   5.959
  510   1HB   GLN  65           HB2      GLN  65 -14.345   5.401   5.401
  511   2HB   GLN  65           HB1      GLN  65 -14.370   3.751   3.751
  512   1HG   GLN  65           HG1      GLN  65 -16.487   5.821   5.821
  513   2HG   GLN  65           HG2      GLN  65 -16.596   4.091   4.091
  514   1HE2  GLN  65          HE22      GLN  65 -17.188   5.571   5.571
  515   2HE2  GLN  65          HE21      GLN  65 -16.741   6.571   6.571
  516    H    GLY  66           HN       GLY  66 -11.836   3.762   3.762
  517   1HA   GLY  66           HA1      GLY  66 -11.521   2.600   2.600
  518   2HA   GLY  66           HA2      GLY  66 -13.104   1.917   1.917
  519    H    ALA  67           HN       ALA  67 -11.993   2.047   2.047
  520    HA   ALA  67           HA       ALA  67 -11.680  -0.555  -0.555
  521   1HB   ALA  67           HB1      ALA  67 -11.113   1.819   1.819
  522   2HB   ALA  67           HB3      ALA  67  -9.628   0.873   0.873
  523   3HB   ALA  67           HB2      ALA  67 -11.148   0.195   0.195
  524    H    SER  68           HN       SER  68 -10.015  -2.085  -2.085
  525    HA   SER  68           HA       SER  68  -7.815  -1.600  -1.600
  526   1HB   SER  68           HB2      SER  68  -9.100  -4.160  -4.160
  527   2HB   SER  68           HB1      SER  68  -7.634  -4.122  -4.122
  528    HG   SER  68           HG       SER  68  -8.907  -2.887  -2.887
  529    HA   PRO  69           HA       PRO  69  -5.236  -1.561  -1.561
  530   1HB   PRO  69           HB2      PRO  69  -2.969  -0.786  -0.786
  531   2HB   PRO  69           HB1      PRO  69  -4.299   0.337   0.337
  532   1HG   PRO  69           HG2      PRO  69  -3.578  -1.095  -1.095
  533   2HG   PRO  69           HG1      PRO  69  -4.088   0.588   0.588
  534   1HD   PRO  69           HD2      PRO  69  -5.766  -1.400  -1.400
  535   2HD   PRO  69           HD1      PRO  69  -6.313   0.032   0.032
  536    H    ASN  70           HN       ASN  70  -4.532  -3.231  -3.231
  537    HA   ASN  70           HA       ASN  70  -2.398  -4.811  -4.811
  538   1HB   ASN  70           HB2      ASN  70  -3.738  -4.467  -4.467
  539   2HB   ASN  70           HB1      ASN  70  -3.467  -6.172  -6.172
  540   1HD2  ASN  70          HD22      ASN  70  -0.529  -4.172  -4.172
  541   2HD2  ASN  70          HD21      ASN  70  -2.223  -3.883  -3.883
  542    H    VAL  71           HN       VAL  71  -3.741  -5.346  -5.346
  543    HA   VAL  71           HA       VAL  71  -5.324  -7.784  -7.784
  544    HB   VAL  71           HB       VAL  71  -6.597  -7.356  -7.356
  545   1HG1  VAL  71          HG12      VAL  71  -7.009  -6.024  -6.024
  546   2HG1  VAL  71          HG11      VAL  71  -6.466  -4.639  -4.639
  547   3HG1  VAL  71          HG13      VAL  71  -7.875  -5.565  -5.565
  548   1HG2  VAL  71          HG22      VAL  71  -4.338  -5.764  -5.764
  549   2HG2  VAL  71          HG21      VAL  71  -5.688  -6.302  -6.302
  550   3HG2  VAL  71          HG23      VAL  71  -5.801  -4.784  -4.784
  551    H    GLN  72           HN       GLN  72  -5.136  -9.492  -9.492
  552    HA   GLN  72           HA       GLN  72  -2.894  -9.381  -9.381
  553   1HB   GLN  72           HB1      GLN  72  -2.996 -11.132 -11.132
  554   2HB   GLN  72           HB2      GLN  72  -2.162 -11.684 -11.684
  555   1HG   GLN  72           HG1      GLN  72  -0.374 -10.628 -10.628
  556   2HG   GLN  72           HG2      GLN  72  -1.203  -9.121  -9.121
  557   1HE2  GLN  72          HE22      GLN  72  -0.321  -8.520  -8.520
  558   2HE2  GLN  72          HE21      GLN  72   0.289  -8.434  -8.434
  559    H    ASP  73           HN       ASP  73  -3.024 -10.868 -10.868
  560    HA   ASP  73           HA       ASP  73  -5.484 -12.491 -12.491
  561   1HB   ASP  73           HB2      ASP  73  -5.371 -12.125 -12.125
  562   2HB   ASP  73           HB1      ASP  73  -5.836 -10.734 -10.734
  563    H    ALA  74           HN       ALA  74  -4.728 -14.492 -14.492
  564    HA   ALA  74           HA       ALA  74  -3.520 -16.424 -16.424
  565   1HB   ALA  74           HB1      ALA  74  -4.271 -15.589 -15.589
  566   2HB   ALA  74           HB3      ALA  74  -2.847 -16.630 -16.630
  567   3HB   ALA  74           HB2      ALA  74  -4.347 -17.183 -17.183
  568    H    SER  75           HN       SER  75  -1.815 -15.071 -15.071
  569    HA   SER  75           HA       SER  75   0.698 -15.821 -15.821
  570   1HB   SER  75           HB2      SER  75  -0.356 -13.403 -13.403
  571   2HB   SER  75           HB1      SER  75   1.380 -13.530 -13.530
  572    HG   SER  75           HG       SER  75  -0.223 -14.923 -14.923
  573    H    GLY  76           HN       GLY  76  -0.598 -12.622 -12.622
  574   1HA   GLY  76           HA2      GLY  76  -0.230 -12.117 -12.117
  575   2HA   GLY  76           HA1      GLY  76   1.444 -12.543 -12.543
  576    H    THR  77           HN       THR  77  -0.858 -10.594 -10.594
  577    HA   THR  77           HA       THR  77   1.157  -8.508  -8.508
  578    HB   THR  77           HB       THR  77  -1.518  -8.100  -8.100
  579    HG1  THR  77           HG1      THR  77  -1.475 -10.209 -10.209
  580   1HG2  THR  77          HG21      THR  77   1.128  -7.248  -7.248
  581   2HG2  THR  77          HG23      THR  77   0.586  -8.167  -8.167
  582   3HG2  THR  77          HG22      THR  77  -0.352  -6.785  -6.785
  583    H    SER  78           HN       SER  78  -0.167  -6.210  -6.210
  584    HA   SER  78           HA       SER  78  -2.160  -5.649  -5.649
  585   1HB   SER  78           HB1      SER  78  -1.104  -5.787  -5.787
  586   2HB   SER  78           HB2      SER  78   0.443  -6.085  -6.085
  587    HG   SER  78           HG       SER  78  -0.080  -4.008  -4.008
  588    HA   PRO  79           HA       PRO  79  -2.211  -1.552  -1.552
  589   1HB   PRO  79           HB2      PRO  79  -1.413  -0.026  -0.026
  590   2HB   PRO  79           HB1      PRO  79  -3.063  -0.371  -0.371
  591   1HG   PRO  79           HG2      PRO  79  -1.419  -1.701  -1.701
  592   2HG   PRO  79           HG1      PRO  79  -3.175  -1.474  -1.474
  593   1HD   PRO  79           HD2      PRO  79  -2.062  -3.861  -3.861
  594   2HD   PRO  79           HD1      PRO  79  -3.476  -3.313  -3.313
  595    H    VAL  80           HN       VAL  80   0.470  -1.678  -1.678
  596    HA   VAL  80           HA       VAL  80   2.170   0.103   0.103
  597    HB   VAL  80           HB       VAL  80   2.294  -1.297  -1.297
  598   1HG1  VAL  80          HG12      VAL  80   4.155  -2.786  -2.786
  599   2HG1  VAL  80          HG11      VAL  80   4.198  -2.883  -2.883
  600   3HG1  VAL  80          HG13      VAL  80   2.776  -3.444  -3.444
  601   1HG2  VAL  80          HG23      VAL  80   4.345   0.132   0.132
  602   2HG2  VAL  80          HG22      VAL  80   3.611   0.535   0.535
  603   3HG2  VAL  80          HG21      VAL  80   4.867  -0.702  -0.702
  604    H    HIS  81           HN       HIS  81   1.791  -3.351  -3.351
  605    HA   HIS  81           HA       HIS  81   3.995  -3.784  -3.784
  606   1HB   HIS  81           HB2      HIS  81   1.223  -4.954  -4.954
  607   2HB   HIS  81           HB1      HIS  81   2.469  -5.481  -5.481
  608    HD2  HIS  81           HD2      HIS  81   4.826  -6.545  -6.545
  609    HE1  HIS  81           HE1      HIS  81   2.504  -7.688  -7.688
  610    HE2  HIS  81           HE2      HIS  81   4.657  -8.095  -8.095
  611    H    ASP  82           HN       ASP  82   0.726  -3.120  -3.120
  612    HA   ASP  82           HA       ASP  82   1.663  -2.533  -2.533
  613   1HB   ASP  82           HB1      ASP  82  -0.820  -2.947  -2.947
  614   2HB   ASP  82           HB2      ASP  82  -0.886  -1.286  -1.286
  615    H    ALA  83           HN       ALA  83   0.958  -0.523  -0.523
  616    HA   ALA  83           HA       ALA  83   0.893   1.987   1.987
  617   1HB   ALA  83           HB3      ALA  83   0.633   1.199   1.199
  618   2HB   ALA  83           HB2      ALA  83   2.336   1.645   1.645
  619   3HB   ALA  83           HB1      ALA  83   1.135   2.847   2.847
  620    H    ALA  84           HN       ALA  84   3.606  -0.124  -0.124
  621    HA   ALA  84           HA       ALA  84   5.631   1.870   1.870
  622   1HB   ALA  84           HB3      ALA  84   5.748  -1.127  -1.127
  623   2HB   ALA  84           HB2      ALA  84   7.154  -0.063  -0.063
  624   3HB   ALA  84           HB1      ALA  84   6.137  -0.181  -0.181
  625    H    ARG  85           HN       ARG  85   4.714  -0.788  -0.788
  626    HA   ARG  85           HA       ARG  85   6.109   0.360   0.360
  627   1HB   ARG  85           HB2      ARG  85   3.984  -1.650  -1.650
  628   2HB   ARG  85           HB1      ARG  85   5.625  -1.569  -1.569
  629   1HG   ARG  85           HG2      ARG  85   6.286  -2.109  -2.109
  630   2HG   ARG  85           HG1      ARG  85   4.628  -2.709  -2.709
  631   1HD   ARG  85           HD1      ARG  85   6.120  -3.582  -3.582
  632   2HD   ARG  85           HD2      ARG  85   6.757  -4.172  -4.172
  633    HE   ARG  85           HE       ARG  85   4.162  -4.738  -4.738
  634   1HH1  ARG  85          HH21      ARG  85   6.378  -5.268  -5.268
  635   2HH1  ARG  85          HH22      ARG  85   5.570  -6.691  -6.691
  636   1HH2  ARG  85          HH11      ARG  85   3.087  -6.612  -6.612
  637   2HH2  ARG  85          HH12      ARG  85   3.699  -7.454  -7.454
  638    H    THR  86           HN       THR  86   2.861   0.646   0.646
  639    HA   THR  86           HA       THR  86   1.486   1.365   1.365
  640    HB   THR  86           HB       THR  86   0.063   2.771   2.771
  641    HG1  THR  86           HG1      THR  86   1.716   1.495   1.495
  642   1HG2  THR  86          HG23      THR  86   0.421  -0.117  -0.117
  643   2HG2  THR  86          HG22      THR  86  -0.297   0.482   0.482
  644   3HG2  THR  86          HG21      THR  86  -1.051   0.852   0.852
  645    H    GLY  87           HN       GLY  87   3.885   3.115   3.115
  646   1HA   GLY  87           HA2      GLY  87   4.928   5.111   5.111
  647   2HA   GLY  87           HA1      GLY  87   4.088   5.102   5.102
  648    H    PHE  88           HN       PHE  88   3.372   5.583   5.583
  649    HA   PHE  88           HA       PHE  88   2.148   8.134   8.134
  650   1HB   PHE  88           HB2      PHE  88   0.550   5.710   5.710
  651   2HB   PHE  88           HB1      PHE  88   0.077   7.229   7.229
  652    HD1  PHE  88           HD1      PHE  88  -0.205   9.258   9.258
  653    HD2  PHE  88           HD2      PHE  88  -0.258   5.178   5.178
  654    HE1  PHE  88           HE1      PHE  88  -1.420   9.900   9.900
  655    HE2  PHE  88           HE2      PHE  88  -1.472   5.812   5.812
  656    HZ   PHE  88           HZ       PHE  88  -2.054   8.175   8.175
  657    H    LEU  89           HN       LEU  89   4.292   8.101   8.101
  658    HA   LEU  89           HA       LEU  89   4.378   7.377   7.377
  659   1HB   LEU  89           HB2      LEU  89   6.183   8.442   8.442
  660   2HB   LEU  89           HB1      LEU  89   5.541   9.976   9.976
  661    HG   LEU  89           HG       LEU  89   7.586   8.933   8.933
  662   1HD1  LEU  89          HD11      LEU  89   5.485  10.631  10.631
  663   2HD1  LEU  89          HD13      LEU  89   5.869   9.594   9.594
  664   3HD1  LEU  89          HD12      LEU  89   7.133  10.567  10.567
  665   1HD2  LEU  89          HD21      LEU  89   6.179   6.744   6.744
  666   2HD2  LEU  89          HD23      LEU  89   7.252   7.262   7.262
  667   3HD2  LEU  89          HD22      LEU  89   5.519   7.564   7.564
  668    H    ASP  90           HN       ASP  90   2.461   9.803   9.803
  669    HA   ASP  90           HA       ASP  90   2.111  11.534  11.534
  670   1HB   ASP  90           HB1      ASP  90  -0.028  12.171  12.171
  671   2HB   ASP  90           HB2      ASP  90   0.433  10.979  10.979
  672    H    THR  91           HN       THR  91  -0.246   9.220   9.220
  673    HA   THR  91           HA       THR  91  -1.793   9.190   9.190
  674    HB   THR  91           HB       THR  91  -1.903   7.238   7.238
  675    HG1  THR  91           HG1      THR  91  -2.105   9.535   9.535
  676   1HG2  THR  91          HG21      THR  91  -3.983   8.073   8.073
  677   2HG2  THR  91          HG23      THR  91  -4.289   7.085   7.085
  678   3HG2  THR  91          HG22      THR  91  -3.231   6.485   6.485
  679    H    LEU  92           HN       LEU  92   0.690   7.125   7.125
  680    HA   LEU  92           HA       LEU  92   0.385   4.836   4.836
  681   1HB   LEU  92           HB2      LEU  92   1.985   4.785   4.785
  682   2HB   LEU  92           HB1      LEU  92   2.823   6.195   6.195
  683    HG   LEU  92           HG       LEU  92   2.751   3.604   3.604
  684   1HD1  LEU  92          HD13      LEU  92   4.181   4.214   4.214
  685   2HD1  LEU  92          HD12      LEU  92   5.251   3.761   3.761
  686   3HD1  LEU  92          HD11      LEU  92   3.955   2.674   2.674
  687   1HD2  LEU  92          HD21      LEU  92   4.162   6.199   6.199
  688   2HD2  LEU  92          HD23      LEU  92   3.571   5.126   5.126
  689   3HD2  LEU  92          HD22      LEU  92   5.071   4.747   4.747
  690    H    LYS  93           HN       LYS  93   2.598   7.528   7.528
  691    HA   LYS  93           HA       LYS  93   3.357   6.681   6.681
  692   1HB   LYS  93           HB1      LYS  93   4.067   8.919   8.919
  693   2HB   LYS  93           HB2      LYS  93   4.325   8.605   8.605
  694   1HG   LYS  93           HG2      LYS  93   2.669  10.049  10.049
  695   2HG   LYS  93           HG1      LYS  93   1.791   9.907   9.907
  696   1HD   LYS  93           HD2      LYS  93   2.717  12.040  12.040
  697   2HD   LYS  93           HD1      LYS  93   3.834  11.054  11.054
  698   1HE   LYS  93           HE1      LYS  93   5.435  11.027  11.027
  699   2HE   LYS  93           HE2      LYS  93   4.273  11.567  11.567
  700   1HZ   LYS  93           HZ3      LYS  93   4.152  13.693  13.693
  701   2HZ   LYS  93           HZ2      LYS  93   5.510  13.158  13.158
  702   3HZ   LYS  93           HZ1      LYS  93   5.609  13.415  13.415
  703    H    VAL  94           HN       VAL  94   0.460   8.461   8.461
  704    HA   VAL  94           HA       VAL  94  -0.454   9.217   9.217
  705    HB   VAL  94           HB       VAL  94  -2.019   8.409   8.409
  706   1HG1  VAL  94          HG22      VAL  94  -2.929   9.002   9.002
  707   2HG1  VAL  94          HG21      VAL  94  -3.660  10.039  10.039
  708   3HG1  VAL  94          HG23      VAL  94  -3.798   8.286   8.286
  709   1HG2  VAL  94          HG12      VAL  94  -0.473  10.652  10.652
  710   2HG2  VAL  94          HG11      VAL  94  -1.666  10.478  10.478
  711   3HG2  VAL  94          HG13      VAL  94  -2.135  11.181  11.181
  712    H    LEU  95           HN       LEU  95  -1.611   6.371   6.371
  713    HA   LEU  95           HA       LEU  95  -2.774   5.184   5.184
  714   1HB   LEU  95           HB1      LEU  95  -3.107   3.216   3.216
  715   2HB   LEU  95           HB2      LEU  95  -3.694   4.702   4.702
  716    HG   LEU  95           HG       LEU  95  -1.252   4.662   4.662
  717   1HD1  LEU  95          HD12      LEU  95  -0.996   2.388   2.388
  718   2HD1  LEU  95          HD11      LEU  95  -1.863   1.754   1.754
  719   3HD1  LEU  95          HD13      LEU  95  -0.329   2.595   2.595
  720   1HD2  LEU  95          HD23      LEU  95  -3.835   4.300   4.300
  721   2HD2  LEU  95          HD22      LEU  95  -2.415   4.436   4.436
  722   3HD2  LEU  95          HD21      LEU  95  -3.023   2.846   2.846
  723    H    VAL  96           HN       VAL  96   0.280   4.841   4.841
  724    HA   VAL  96           HA       VAL  96   1.176   2.509   2.509
  725    HB   VAL  96           HB       VAL  96   2.635   4.711   4.711
  726   1HG1  VAL  96          HG13      VAL  96   3.735   2.795   2.795
  727   2HG1  VAL  96          HG12      VAL  96   4.384   2.557   2.557
  728   3HG1  VAL  96          HG11      VAL  96   4.525   4.130   4.130
  729   1HG2  VAL  96          HG23      VAL  96   1.790   1.908   1.908
  730   2HG2  VAL  96          HG22      VAL  96   1.554   3.380   3.380
  731   3HG2  VAL  96          HG21      VAL  96   3.151   2.638   2.638
  732    H    GLU  97           HN       GLU  97   1.586   5.962   5.962
  733    HA   GLU  97           HA       GLU  97   3.301   5.579   5.579
  734   1HB   GLU  97           HB2      GLU  97   3.123   7.917   7.917
  735   2HB   GLU  97           HB1      GLU  97   3.073   7.692   7.692
  736   1HG   GLU  97           HG1      GLU  97   0.660   8.081   8.081
  737   2HG   GLU  97           HG2      GLU  97   1.454   9.353   9.353
  738    H    HIS  98           HN       HIS  98  -0.100   5.426   5.426
  739    HA   HIS  98           HA       HIS  98  -0.913   5.998   5.998
  740   1HB   HIS  98           HB2      HIS  98  -2.452   6.190   6.190
  741   2HB   HIS  98           HB1      HIS  98  -2.353   4.451   4.451
  742    HD2  HIS  98           HD2      HIS  98  -3.990   7.010   7.010
  743    HE1  HIS  98           HE1      HIS  98  -5.554   3.155   3.155
  744    HE2  HIS  98           HE2      HIS  98  -5.632   5.602   5.602
  745    H    GLY  99           HN       GLY  99   0.308   3.177   3.177
  746   1HA   GLY  99           HA2      GLY  99   1.168   1.680   1.680
  747   2HA   GLY  99           HA1      GLY  99  -0.558   1.439   1.439
  748    H    ALA 100           HN       ALA 100  -0.440   1.786   1.786
  749    HA   ALA 100           HA       ALA 100  -1.099  -0.662  -0.662
  750   1HB   ALA 100           HB3      ALA 100  -0.498   1.587   1.587
  751   2HB   ALA 100           HB2      ALA 100   0.911   0.619   0.619
  752   3HB   ALA 100           HB1      ALA 100  -0.712   0.035   0.035
  753    H    ASP 101           HN       ASP 101  -0.282  -2.599  -2.599
  754    HA   ASP 101           HA       ASP 101   1.995  -3.385  -3.385
  755   1HB   ASP 101           HB2      ASP 101   1.435  -5.088  -5.088
  756   2HB   ASP 101           HB1      ASP 101   0.007  -4.694  -4.694
  757    H    VAL 102           HN       VAL 102   3.769  -2.101  -2.101
  758    HA   VAL 102           HA       VAL 102   4.870  -2.187  -2.187
  759    HB   VAL 102           HB       VAL 102   6.575  -0.557  -0.557
  760   1HG1  VAL 102          HG12      VAL 102   3.805  -0.128  -0.128
  761   2HG1  VAL 102          HG11      VAL 102   4.511   1.214   1.214
  762   3HG1  VAL 102          HG13      VAL 102   5.300   0.620   0.620
  763   1HG2  VAL 102          HG23      VAL 102   5.947  -1.069  -1.069
  764   2HG2  VAL 102          HG22      VAL 102   5.831   0.650   0.650
  765   3HG2  VAL 102          HG21      VAL 102   4.370  -0.335  -0.335
  766    H    ASN 103           HN       ASN 103   5.036  -3.997  -3.997
  767    HA   ASN 103           HA       ASN 103   7.852  -4.731  -4.731
  768   1HB   ASN 103           HB1      ASN 103   6.195  -4.712  -4.712
  769   2HB   ASN 103           HB2      ASN 103   7.614  -5.746  -5.746
  770   1HD2  ASN 103          HD22      ASN 103   9.253  -3.010  -3.010
  771   2HD2  ASN 103          HD21      ASN 103   8.529  -4.553  -4.553
  772    H    ALA 104           HN       ALA 104   5.233  -5.648  -5.648
  773    HA   ALA 104           HA       ALA 104   5.451  -8.511  -8.511
  774   1HB   ALA 104           HB1      ALA 104   3.241  -7.534  -7.534
  775   2HB   ALA 104           HB3      ALA 104   3.128  -7.058  -7.058
  776   3HB   ALA 104           HB2      ALA 104   3.183  -8.766  -8.766
  777    H    LEU 105           HN       LEU 105   5.454 -10.034 -10.034
  778    HA   LEU 105           HA       LEU 105   6.047  -8.941  -8.941
  779   1HB   LEU 105           HB1      LEU 105   7.434 -11.434 -11.434
  780   2HB   LEU 105           HB2      LEU 105   8.003 -10.057 -10.057
  781    HG   LEU 105           HG       LEU 105   7.700  -9.911  -9.911
  782   1HD1  LEU 105          HD11      LEU 105   9.165 -11.847 -11.847
  783   2HD1  LEU 105          HD13      LEU 105  10.252 -10.639 -10.639
  784   3HD1  LEU 105          HD12      LEU 105   9.914 -10.640 -10.640
  785   1HD2  LEU 105          HD23      LEU 105   7.963  -7.845  -7.845
  786   2HD2  LEU 105          HD22      LEU 105   9.197  -8.079  -8.079
  787   3HD2  LEU 105          HD21      LEU 105   9.562  -8.443  -8.443
  788    H    ASP 106           HN       ASP 106   6.498 -11.482 -11.482
  789    HA   ASP 106           HA       ASP 106   4.110 -13.044 -13.044
  790   1HB   ASP 106           HB1      ASP 106   3.876 -12.833 -12.833
  791   2HB   ASP 106           HB2      ASP 106   2.966 -11.844 -11.844
  792    H    SER 107           HN       SER 107   5.592 -14.682 -14.682
  793    HA   SER 107           HA       SER 107   6.877 -16.517 -16.517
  794   1HB   SER 107           HB1      SER 107   6.507 -16.422 -16.422
  795   2HB   SER 107           HB2      SER 107   6.309 -17.770 -17.770
  796    HG   SER 107           HG       SER 107   4.346 -16.724 -16.724
  797    H    THR 108           HN       THR 108   7.426 -14.795 -14.795
  798    HA   THR 108           HA       THR 108  10.079 -15.278 -15.278
  799    HB   THR 108           HB       THR 108   8.986 -14.110 -14.110
  800    HG1  THR 108           HG1      THR 108  11.193 -13.161 -13.161
  801   1HG2  THR 108          HG23      THR 108   8.288 -12.053 -12.053
  802   2HG2  THR 108          HG22      THR 108   8.252 -11.705 -11.705
  803   3HG2  THR 108          HG21      THR 108   7.215 -12.965 -12.965
  804    H    GLY 109           HN       GLY 109   8.601 -13.179 -13.179
  805   1HA   GLY 109           HA2      GLY 109   9.495 -12.192 -12.192
  806   2HA   GLY 109           HA1      GLY 109  11.026 -12.966 -12.966
  807    H    SER 110           HN       SER 110   9.299 -10.845 -10.845
  808    HA   SER 110           HA       SER 110  11.589  -9.023  -9.023
  809   1HB   SER 110           HB2      SER 110   9.783  -8.233  -8.233
  810   2HB   SER 110           HB1      SER 110  11.320  -9.075  -9.075
  811    HG   SER 110           HG       SER 110   8.797 -10.005 -10.005
  812    H    LEU 111           HN       LEU 111  11.328  -7.557  -7.557
  813    HA   LEU 111           HA       LEU 111   8.952  -6.559  -6.559
  814   1HB   LEU 111           HB1      LEU 111  11.764  -5.568  -5.568
  815   2HB   LEU 111           HB2      LEU 111  10.509  -4.477  -4.477
  816    HG   LEU 111           HG       LEU 111  10.868  -7.215  -7.215
  817   1HD1  LEU 111          HD13      LEU 111  12.632  -4.952  -4.952
  818   2HD1  LEU 111          HD12      LEU 111  11.894  -5.320  -5.320
  819   3HD1  LEU 111          HD11      LEU 111  12.789  -6.568  -6.568
  820   1HD2  LEU 111          HD21      LEU 111   8.740  -6.037  -6.037
  821   2HD2  LEU 111          HD23      LEU 111   9.669  -6.259  -6.259
  822   3HD2  LEU 111          HD22      LEU 111   9.636  -4.683  -4.683
  823    HA   PRO 112           HA       PRO 112   6.974  -3.922  -3.922
  824   1HB   PRO 112           HB2      PRO 112   7.209  -1.879  -1.879
  825   2HB   PRO 112           HB1      PRO 112   5.810  -2.306  -2.306
  826   1HG   PRO 112           HG1      PRO 112   6.037  -3.199  -3.199
  827   2HG   PRO 112           HG2      PRO 112   5.365  -4.226  -4.226
  828   1HD   PRO 112           HD2      PRO 112   8.001  -4.372  -4.372
  829   2HD   PRO 112           HD1      PRO 112   7.044  -5.662  -5.662
  830    H    ILE 113           HN       ILE 113   9.711  -2.629  -2.629
  831    HA   ILE 113           HA       ILE 113  10.272  -0.528  -0.528
  832    HB   ILE 113           HB       ILE 113  10.962  -0.591  -0.591
  833   1HG1  ILE 113          HG12      ILE 113  12.852   0.118   0.118
  834   2HG1  ILE 113          HG11      ILE 113  11.793   1.186   1.186
  835   1HG2  ILE 113          HG22      ILE 113  11.953  -2.926  -2.926
  836   2HG2  ILE 113          HG21      ILE 113  13.345  -2.122  -2.122
  837   3HG2  ILE 113          HG23      ILE 113  12.882  -1.755  -1.755
  838   1HD1  ILE 113          HD11      ILE 113  13.357   0.265   0.265
  839   2HD1  ILE 113          HD13      ILE 113  14.486   0.202   0.202
  840   3HD1  ILE 113          HD12      ILE 113  13.698   1.722   1.722
  841    H    HIS 114           HN       HIS 114  11.294  -3.859  -3.859
  842    HA   HIS 114           HA       HIS 114  13.598  -3.887  -3.887
  843   1HB   HIS 114           HB1      HIS 114  11.446  -5.913  -5.913
  844   2HB   HIS 114           HB2      HIS 114  12.712  -6.263  -6.263
  845    HD2  HIS 114           HD2      HIS 114  14.997  -4.678  -4.678
  846    HE1  HIS 114           HE1      HIS 114  14.158  -8.125  -8.125
  847    HE2  HIS 114           HE2      HIS 114  15.675  -6.109  -6.109
  848    H    LEU 115           HN       LEU 115  10.296  -4.552  -4.552
  849    HA   LEU 115           HA       LEU 115  10.929  -4.678  -4.678
  850   1HB   LEU 115           HB2      LEU 115   8.444  -3.644  -3.644
  851   2HB   LEU 115           HB1      LEU 115   8.784  -5.333  -5.333
  852    HG   LEU 115           HG       LEU 115   8.613  -3.475  -3.475
  853   1HD1  LEU 115          HD13      LEU 115   6.347  -4.219  -4.219
  854   2HD1  LEU 115          HD12      LEU 115   6.080  -4.116  -4.116
  855   3HD1  LEU 115          HD11      LEU 115   6.661  -2.708  -2.708
  856   1HD2  LEU 115          HD21      LEU 115   8.699  -6.280  -6.280
  857   2HD2  LEU 115          HD23      LEU 115   8.689  -5.416  -5.416
  858   3HD2  LEU 115          HD22      LEU 115   7.167  -5.886  -5.886
  859    H    ALA 116           HN       ALA 116   9.824  -1.863  -1.863
  860    HA   ALA 116           HA       ALA 116   9.837   0.020   0.020
  861   1HB   ALA 116           HB3      ALA 116   9.268   0.122   0.122
  862   2HB   ALA 116           HB2      ALA 116  10.825   0.951   0.951
  863   3HB   ALA 116           HB1      ALA 116   9.502   1.557   1.557
  864    H    ILE 117           HN       ILE 117  12.498  -1.227  -1.227
  865    HA   ILE 117           HA       ILE 117  14.466   0.619   0.619
  866    HB   ILE 117           HB       ILE 117  14.664  -2.238  -2.238
  867   1HG1  ILE 117          HG11      ILE 117  15.546   0.308   0.308
  868   2HG1  ILE 117          HG12      ILE 117  13.934  -0.372  -0.372
  869   1HG2  ILE 117          HG21      ILE 117  16.780  -0.431  -0.431
  870   2HG2  ILE 117          HG23      ILE 117  17.153  -1.420  -1.420
  871   3HG2  ILE 117          HG22      ILE 117  16.644  -2.188  -2.188
  872   1HD1  ILE 117          HD11      ILE 117  15.677  -2.481  -2.481
  873   2HD1  ILE 117          HD13      ILE 117  16.388  -1.079  -1.079
  874   3HD1  ILE 117          HD12      ILE 117  14.733  -1.562  -1.562
  875    H    ARG 118           HN       ARG 118  13.384  -2.444  -2.444
  876    HA   ARG 118           HA       ARG 118  15.343  -2.506  -2.506
  877   1HB   ARG 118           HB2      ARG 118  12.732  -3.853  -3.853
  878   2HB   ARG 118           HB1      ARG 118  14.365  -4.466  -4.466
  879   1HG   ARG 118           HG2      ARG 118  14.244  -4.155  -4.155
  880   2HG   ARG 118           HG1      ARG 118  12.595  -4.639  -4.639
  881   1HD   ARG 118           HD2      ARG 118  15.150  -6.132  -6.132
  882   2HD   ARG 118           HD1      ARG 118  13.607  -6.681  -6.681
  883    HE   ARG 118           HE       ARG 118  13.213  -6.097  -6.097
  884   1HH1  ARG 118          HH21      ARG 118  15.046  -8.331  -8.331
  885   2HH1  ARG 118          HH22      ARG 118  15.036  -9.583  -9.583
  886   1HH2  ARG 118          HH11      ARG 118  13.191  -7.740  -7.740
  887   2HH2  ARG 118          HH12      ARG 118  13.981  -9.247  -9.247
  888    H    GLU 119           HN       GLU 119  12.548  -0.667  -0.667
  889    HA   GLU 119           HA       GLU 119  12.238  -0.120  -0.120
  890   1HB   GLU 119           HB1      GLU 119  10.446   0.863   0.863
  891   2HB   GLU 119           HB2      GLU 119  10.099   0.804   0.804
  892   1HG   GLU 119           HG1      GLU 119   9.773  -1.496  -1.496
  893   2HG   GLU 119           HG2      GLU 119  10.630  -1.702  -1.702
  894    H    GLY 120           HN       GLY 120  12.516   1.582   1.582
  895   1HA   GLY 120           HA1      GLY 120  13.635   3.534   3.534
  896   2HA   GLY 120           HA2      GLY 120  14.290   3.528   3.528
  897    H    HIS 121           HN       HIS 121  10.866   3.392   3.392
  898    HA   HIS 121           HA       HIS 121   9.904   5.164   5.164
  899   1HB   HIS 121           HB2      HIS 121   9.030   4.193   4.193
  900   2HB   HIS 121           HB1      HIS 121   8.492   5.850   5.850
  901    HD2  HIS 121           HD2      HIS 121   7.389   2.369   2.369
  902    HE1  HIS 121           HE1      HIS 121   5.491   4.888   4.888
  903    HE2  HIS 121           HE2      HIS 121   5.431   2.623   2.623
  904    H    SER 122           HN       SER 122  11.261   6.064   6.064
  905    HA   SER 122           HA       SER 122  12.693   8.222   8.222
  906   1HB   SER 122           HB1      SER 122  11.106   9.435   9.435
  907   2HB   SER 122           HB2      SER 122   9.789   8.985   8.985
  908    HG   SER 122           HG       SER 122  11.665  11.013  11.013
  909    H    SER 123           HN       SER 123  10.227   9.517   9.517
  910    HA   SER 123           HA       SER 123  11.852   9.269   9.269
  911   1HB   SER 123           HB1      SER 123   9.097  10.401  10.401
  912   2HB   SER 123           HB2      SER 123   9.843  10.377  10.377
  913    HG   SER 123           HG       SER 123  11.091  11.971  11.971
  914    H    VAL 124           HN       VAL 124   9.504   7.298   7.298
  915    HA   VAL 124           HA       VAL 124   8.154   6.169   6.169
  916    HB   VAL 124           HB       VAL 124   9.050   4.918   4.918
  917   1HG1  VAL 124          HG12      VAL 124   8.728   3.174   3.174
  918   2HG1  VAL 124          HG11      VAL 124   7.114   3.802   3.802
  919   3HG1  VAL 124          HG13      VAL 124   7.481   3.112   3.112
  920   1HG2  VAL 124          HG23      VAL 124   7.066   6.793   6.793
  921   2HG2  VAL 124          HG22      VAL 124   7.270   5.898   5.898
  922   3HG2  VAL 124          HG21      VAL 124   6.216   5.266   5.266
  923    H    VAL 125           HN       VAL 125  10.927   4.636   4.636
  924    HA   VAL 125           HA       VAL 125  11.437   2.688   2.688
  925    HB   VAL 125           HB       VAL 125  13.692   4.030   4.030
  926   1HG1  VAL 125          HG13      VAL 125  13.666   1.872   1.872
  927   2HG1  VAL 125          HG12      VAL 125  13.345   1.105   1.105
  928   3HG1  VAL 125          HG11      VAL 125  14.798   2.081   2.081
  929   1HG2  VAL 125          HG21      VAL 125  11.467   2.390   2.390
  930   2HG2  VAL 125          HG23      VAL 125  12.104   3.939   3.939
  931   3HG2  VAL 125          HG22      VAL 125  13.060   2.470   2.470
  932    H    SER 126           HN       SER 126  12.813   5.956   5.956
  933    HA   SER 126           HA       SER 126  14.407   5.640   5.640
  934   1HB   SER 126           HB1      SER 126  14.553   8.203   8.203
  935   2HB   SER 126           HB2      SER 126  15.199   7.246   7.246
  936    HG   SER 126           HG       SER 126  13.943   8.727   8.727
  937    H    PHE 127           HN       PHE 127  11.136   6.501   6.501
  938    HA   PHE 127           HA       PHE 127  10.699   7.932   7.932
  939   1HB   PHE 127           HB2      PHE 127   9.120   8.438   8.438
  940   2HB   PHE 127           HB1      PHE 127   8.914   6.750   6.750
  941    HD1  PHE 127           HD2      PHE 127   8.071   9.295   9.295
  942    HD2  PHE 127           HD1      PHE 127   7.335   5.350   5.350
  943    HE1  PHE 127           HE2      PHE 127   6.086   9.140   9.140
  944    HE2  PHE 127           HE1      PHE 127   5.349   5.186   5.186
  945    HZ   PHE 127           HZ       PHE 127   4.724   7.083   7.083
  946    H    LEU 128           HN       LEU 128   9.397   4.767   4.767
  947    HA   LEU 128           HA       LEU 128   8.801   4.034   4.034
  948   1HB   LEU 128           HB2      LEU 128   7.970   1.978   1.978
  949   2HB   LEU 128           HB1      LEU 128   7.445   3.300   3.300
  950    HG   LEU 128           HG       LEU 128   9.932   2.120   2.120
  951   1HD1  LEU 128          HD13      LEU 128   7.535   0.361   0.361
  952   2HD1  LEU 128          HD12      LEU 128   8.716   0.047   0.047
  953   3HD1  LEU 128          HD11      LEU 128   9.219   0.048   0.048
  954   1HD2  LEU 128          HD21      LEU 128   7.694   3.454   3.454
  955   2HD2  LEU 128          HD23      LEU 128   9.085   2.856   2.856
  956   3HD2  LEU 128          HD22      LEU 128   7.652   1.844   1.844
  957    H    ALA 129           HN       ALA 129  11.696   4.508   4.508
  958    HA   ALA 129           HA       ALA 129  13.077   2.058   2.058
  959   1HB   ALA 129           HB1      ALA 129  13.748   4.880   4.880
  960   2HB   ALA 129           HB3      ALA 129  14.829   3.670   3.670
  961   3HB   ALA 129           HB2      ALA 129  14.545   3.707   3.707
  962    HA   PRO 130           HA       PRO 130  13.233   2.413   2.413
  963   1HB   PRO 130           HB2      PRO 130  11.882   4.387   4.387
  964   2HB   PRO 130           HB1      PRO 130  13.502   4.637   4.637
  965   1HG   PRO 130           HG2      PRO 130  10.843   5.381   5.381
  966   2HG   PRO 130           HG1      PRO 130  12.348   6.319   6.319
  967   1HD   PRO 130           HD2      PRO 130  11.489   4.910   4.910
  968   2HD   PRO 130           HD1      PRO 130  13.195   5.258   5.258
  969    H    GLU 131           HN       GLU 131  10.165   3.431   3.431
  970    HA   GLU 131           HA       GLU 131   8.383   2.407   2.407
  971   1HB   GLU 131           HB1      GLU 131   8.017   2.397   2.397
  972   2HB   GLU 131           HB2      GLU 131   6.744   2.371   2.371
  973   1HG   GLU 131           HG2      GLU 131   8.656   4.624   4.624
  974   2HG   GLU 131           HG1      GLU 131   6.931   4.576   4.576
  975    H    SER 132           HN       SER 132  10.406   0.771   0.771
  976    HA   SER 132           HA       SER 132   9.099  -1.786  -1.786
  977   1HB   SER 132           HB2      SER 132  10.904  -1.336  -1.336
  978   2HB   SER 132           HB1      SER 132   9.764  -2.653  -2.653
  979    HG   SER 132           HG       SER 132   8.550  -0.223  -0.223
  980    H    ASP 133           HN       ASP 133  10.371  -3.543  -3.543
  981    HA   ASP 133           HA       ASP 133  12.399  -3.275  -3.275
  982   1HB   ASP 133           HB1      ASP 133  12.831  -5.548  -5.548
  983   2HB   ASP 133           HB2      ASP 133  11.206  -5.419  -5.419
  984    H    LEU 134           HN       LEU 134  14.109  -1.964  -1.964
  985    HA   LEU 134           HA       LEU 134  15.521  -1.752  -1.752
  986   1HB   LEU 134           HB2      LEU 134  15.531  -0.354  -0.354
  987   2HB   LEU 134           HB1      LEU 134  17.030  -0.334  -0.334
  988    HG   LEU 134           HG       LEU 134  14.365   0.808   0.808
  989   1HD1  LEU 134          HD11      LEU 134  16.948   1.843   1.843
  990   2HD1  LEU 134          HD13      LEU 134  16.301   2.650   2.650
  991   3HD1  LEU 134          HD12      LEU 134  15.345   2.578   2.578
  992   1HD2  LEU 134          HD21      LEU 134  16.740   0.167   0.167
  993   2HD2  LEU 134          HD23      LEU 134  15.048  -0.257  -0.257
  994   3HD2  LEU 134          HD22      LEU 134  15.573   1.419   1.419
  995    H    HIS 135           HN       HIS 135  15.925  -4.217  -4.217
  996    HA   HIS 135           HA       HIS 135  18.673  -4.594  -4.594
  997   1HB   HIS 135           HB2      HIS 135  18.052  -4.399  -4.399
  998   2HB   HIS 135           HB1      HIS 135  16.953  -5.760  -5.760
  999    HD2  HIS 135           HD2      HIS 135  20.837  -5.183  -5.183
 1000    HE1  HIS 135           HE1      HIS 135  20.078  -9.100  -9.100
 1001    HE2  HIS 135           HE2      HIS 135  21.863  -7.484  -7.484
 1002    H    HIS 136           HN       HIS 136  15.703  -6.496  -6.496
 1003    HA   HIS 136           HA       HIS 136  16.409  -8.928  -8.928
 1004   1HB   HIS 136           HB1      HIS 136  14.168  -8.532  -8.532
 1005   2HB   HIS 136           HB2      HIS 136  13.835  -7.450  -7.450
 1006    HD2  HIS 136           HD2      HIS 136  12.242  -8.683  -8.683
 1007    HE1  HIS 136           HE1      HIS 136  13.838 -12.579 -12.579
 1008    HE2  HIS 136           HE2      HIS 136  12.237 -11.119 -11.119
 1009    H    ARG 137           HN       ARG 137  16.036 -10.036 -10.036
 1010    HA   ARG 137           HA       ARG 137  16.335  -8.324  -8.324
 1011   1HB   ARG 137           HB2      ARG 137  18.091 -10.603 -10.603
 1012   2HB   ARG 137           HB1      ARG 137  18.450  -8.894  -8.894
 1013   1HG   ARG 137           HG2      ARG 137  19.048  -8.624  -8.624
 1014   2HG   ARG 137           HG1      ARG 137  18.255 -10.124 -10.124
 1015   1HD   ARG 137           HD2      ARG 137  19.936 -11.453 -11.453
 1016   2HD   ARG 137           HD1      ARG 137  20.585 -10.101 -10.101
 1017    HE   ARG 137           HE       ARG 137  20.998  -9.250  -9.250
 1018   1HH1  ARG 137          HH11      ARG 137  21.582 -12.358 -12.358
 1019   2HH1  ARG 137          HH12      ARG 137  22.926 -12.732 -12.732
 1020   1HH2  ARG 137          HH21      ARG 137  22.769  -9.732  -9.732
 1021   2HH2  ARG 137          HH22      ARG 137  23.601 -11.241 -11.241
 1022    H    ASP 138           HN       ASP 138  15.915  -9.416  -9.416
 1023    HA   ASP 138           HA       ASP 138  13.687 -11.116 -11.116
 1024   1HB   ASP 138           HB2      ASP 138  14.852  -9.585  -9.585
 1025   2HB   ASP 138           HB1      ASP 138  15.305 -11.197 -11.197
 1026    H    ALA 139           HN       ALA 139  13.459 -13.309 -13.309
 1027    HA   ALA 139           HA       ALA 139  15.251 -15.101 -15.101
 1028   1HB   ALA 139           HB3      ALA 139  12.785 -15.428 -15.428
 1029   2HB   ALA 139           HB2      ALA 139  13.487 -15.938 -15.938
 1030   3HB   ALA 139           HB1      ALA 139  13.888 -16.804 -16.804
 1031    H    SER 140           HN       SER 140  15.425 -13.448 -13.448
 1032    HA   SER 140           HA       SER 140  17.010 -15.320 -15.320
 1033   1HB   SER 140           HB2      SER 140  15.666 -12.986 -12.986
 1034   2HB   SER 140           HB1      SER 140  17.362 -12.516 -12.516
 1035    HG   SER 140           HG       SER 140  16.535 -13.368 -13.368
 1036    H    GLY 141           HN       GLY 141  17.742 -12.340 -12.340
 1037   1HA   GLY 141           HA2      GLY 141  19.792 -12.667 -12.667
 1038   2HA   GLY 141           HA1      GLY 141  20.587 -13.127 -13.127
 1039    H    LEU 142           HN       LEU 142  18.424 -10.464 -10.464
 1040    HA   LEU 142           HA       LEU 142  20.511  -8.529  -8.529
 1041   1HB   LEU 142           HB1      LEU 142  17.925  -8.494  -8.494
 1042   2HB   LEU 142           HB2      LEU 142  19.167  -7.259  -7.259
 1043    HG   LEU 142           HG       LEU 142  19.762 -10.100 -10.100
 1044   1HD1  LEU 142          HD13      LEU 142  17.910  -8.448  -8.448
 1045   2HD1  LEU 142          HD12      LEU 142  19.387  -8.372  -8.372
 1046   3HD1  LEU 142          HD11      LEU 142  18.644  -9.932  -9.932
 1047   1HD2  LEU 142          HD22      LEU 142  21.539  -8.303  -8.303
 1048   2HD2  LEU 142          HD21      LEU 142  21.663  -9.229  -9.229
 1049   3HD2  LEU 142          HD23      LEU 142  21.014  -7.589  -7.589
 1050    H    THR 143           HN       THR 143  20.397  -6.958  -6.958
 1051    HA   THR 143           HA       THR 143  17.906  -6.641  -6.641
 1052    HB   THR 143           HB       THR 143  19.155  -6.119  -6.119
 1053    HG1  THR 143           HG1      THR 143  21.276  -5.046  -5.046
 1054   1HG2  THR 143          HG23      THR 143  20.371  -8.102  -8.102
 1055   2HG2  THR 143          HG22      THR 143  21.702  -7.008  -7.008
 1056   3HG2  THR 143          HG21      THR 143  20.716  -7.680  -7.680
 1057    HA   PRO 144           HA       PRO 144  16.837  -2.482  -2.482
 1058   1HB   PRO 144           HB2      PRO 144  18.330  -1.444  -1.444
 1059   2HB   PRO 144           HB1      PRO 144  16.686  -1.084  -1.084
 1060   1HG   PRO 144           HG2      PRO 144  17.111  -2.747  -2.747
 1061   2HG   PRO 144           HG1      PRO 144  15.832  -3.069  -3.069
 1062   1HD   PRO 144           HD2      PRO 144  18.482  -4.383  -4.383
 1063   2HD   PRO 144           HD1      PRO 144  16.949  -5.062  -5.062
 1064    H    LEU 145           HN       LEU 145  20.067  -2.209  -2.209
 1065    HA   LEU 145           HA       LEU 145  20.939  -0.226  -0.226
 1066   1HB   LEU 145           HB2      LEU 145  21.884  -1.385  -1.385
 1067   2HB   LEU 145           HB1      LEU 145  23.155  -1.552  -1.552
 1068    HG   LEU 145           HG       LEU 145  21.855   1.112   1.112
 1069   1HD1  LEU 145          HD12      LEU 145  23.136  -0.275  -0.275
 1070   2HD1  LEU 145          HD11      LEU 145  24.033   1.175   1.175
 1071   3HD1  LEU 145          HD13      LEU 145  22.327   1.293   1.293
 1072   1HD2  LEU 145          HD21      LEU 145  24.593   0.072   0.072
 1073   2HD2  LEU 145          HD23      LEU 145  23.473   0.962   0.962
 1074   3HD2  LEU 145          HD22      LEU 145  24.274   1.778   1.778
 1075    H    GLU 146           HN       GLU 146  21.319  -3.716  -3.716
 1076    HA   GLU 146           HA       GLU 146  23.272  -3.980  -3.980
 1077   1HB   GLU 146           HB1      GLU 146  22.025  -5.685  -5.685
 1078   2HB   GLU 146           HB2      GLU 146  21.442  -6.244  -6.244
 1079   1HG   GLU 146           HG1      GLU 146  24.314  -5.963  -5.963
 1080   2HG   GLU 146           HG2      GLU 146  23.418  -7.465  -7.465
 1081    H    LEU 147           HN       LEU 147  19.739  -4.471  -4.471
 1082    HA   LEU 147           HA       LEU 147  19.468  -5.077  -5.077
 1083   1HB   LEU 147           HB2      LEU 147  17.757  -4.363  -4.363
 1084   2HB   LEU 147           HB1      LEU 147  17.311  -3.370  -3.370
 1085    HG   LEU 147           HG       LEU 147  17.161  -6.340  -6.340
 1086   1HD1  LEU 147          HD12      LEU 147  15.337  -4.235  -4.235
 1087   2HD1  LEU 147          HD11      LEU 147  15.126  -5.024  -5.024
 1088   3HD1  LEU 147          HD13      LEU 147  14.976  -5.961  -5.961
 1089   1HD2  LEU 147          HD21      LEU 147  17.565  -4.825  -4.825
 1090   2HD2  LEU 147          HD23      LEU 147  18.363  -6.297  -6.297
 1091   3HD2  LEU 147          HD22      LEU 147  16.677  -6.348  -6.348
 1092    H    ALA 148           HN       ALA 148  19.715  -1.932  -1.932
 1093    HA   ALA 148           HA       ALA 148  19.164  -0.311  -0.311
 1094   1HB   ALA 148           HB1      ALA 148  20.408   0.038   0.038
 1095   2HB   ALA 148           HB3      ALA 148  20.944   1.179   1.179
 1096   3HB   ALA 148           HB2      ALA 148  19.231   1.043   1.043
 1097    H    ARG 149           HN       ARG 149  22.170  -1.784  -1.784
 1098    HA   ARG 149           HA       ARG 149  23.957  -0.535  -0.535
 1099   1HB   ARG 149           HB1      ARG 149  24.699  -1.909  -1.909
 1100   2HB   ARG 149           HB2      ARG 149  24.042  -3.347  -3.347
 1101   1HG   ARG 149           HG2      ARG 149  26.098  -3.654  -3.654
 1102   2HG   ARG 149           HG1      ARG 149  25.713  -2.360  -2.360
 1103   1HD   ARG 149           HD1      ARG 149  27.117  -0.922  -0.922
 1104   2HD   ARG 149           HD2      ARG 149  26.605  -1.395  -1.395
 1105    HE   ARG 149           HE       ARG 149  28.165  -3.458  -3.458
 1106   1HH1  ARG 149          HH21      ARG 149  28.511  -0.131  -0.131
 1107   2HH1  ARG 149          HH22      ARG 149  30.175  -0.298  -0.298
 1108   1HH2  ARG 149          HH11      ARG 149  30.356  -3.694  -3.694
 1109   2HH2  ARG 149          HH12      ARG 149  31.223  -2.325  -2.325
 1110    H    GLN 150           HN       GLN 150  21.810  -3.270  -3.270
 1111    HA   GLN 150           HA       GLN 150  22.819  -4.110  -4.110
 1112   1HB   GLN 150           HB2      GLN 150  21.521  -5.720  -5.720
 1113   2HB   GLN 150           HB1      GLN 150  20.277  -4.561  -4.561
 1114   1HG   GLN 150           HG1      GLN 150  19.431  -6.050  -6.050
 1115   2HG   GLN 150           HG2      GLN 150  19.582  -4.428  -4.428
 1116   1HE2  GLN 150          HE22      GLN 150  21.804  -7.511  -7.511
 1117   2HE2  GLN 150          HE21      GLN 150  20.905  -7.653  -7.653
 1118    H    ARG 151           HN       ARG 151  19.577  -2.758  -2.758
 1119    HA   ARG 151           HA       ARG 151  19.526  -1.630  -1.630
 1120   1HB   ARG 151           HB2      ARG 151  17.651  -1.968  -1.968
 1121   2HB   ARG 151           HB1      ARG 151  17.427  -0.471  -0.471
 1122   1HG   ARG 151           HG2      ARG 151  16.005  -2.134  -2.134
 1123   2HG   ARG 151           HG1      ARG 151  17.307  -1.806  -1.806
 1124   1HD   ARG 151           HD1      ARG 151  18.413  -3.819  -3.819
 1125   2HD   ARG 151           HD2      ARG 151  17.438  -4.067  -4.067
 1126    HE   ARG 151           HE       ARG 151  15.754  -4.943  -4.943
 1127   1HH1  ARG 151          HH11      ARG 151  18.205  -3.507  -3.507
 1128   2HH1  ARG 151          HH12      ARG 151  17.577  -4.177  -4.177
 1129   1HH2  ARG 151          HH21      ARG 151  14.916  -5.830  -5.830
 1130   2HH2  ARG 151          HH22      ARG 151  15.706  -5.495  -5.495
 1131    H    GLY 152           HN       GLY 152  21.582  -0.430  -0.430
 1132   1HA   GLY 152           HA1      GLY 152  21.592   1.791   1.791
 1133   2HA   GLY 152           HA2      GLY 152  22.737   1.493   1.493
 1134    H    ALA 153           HN       ALA 153  19.227   2.113   2.113
 1135    HA   ALA 153           HA       ALA 153  19.028   3.538   3.538
 1136   1HB   ALA 153           HB2      ALA 153  17.193   2.893   2.893
 1137   2HB   ALA 153           HB1      ALA 153  17.542   4.440   4.440
 1138   3HB   ALA 153           HB3      ALA 153  16.990   4.395   4.395
 1139    H    GLN 154           HN       GLN 154  20.417   4.531   4.531
 1140    HA   GLN 154           HA       GLN 154  22.016   6.525   6.525
 1141   1HB   GLN 154           HB2      GLN 154  20.712   8.593   8.593
 1142   2HB   GLN 154           HB1      GLN 154  20.232   7.865   7.865
 1143   1HG   GLN 154           HG2      GLN 154  18.302   8.510   8.510
 1144   2HG   GLN 154           HG1      GLN 154  18.360   6.769   6.769
 1145   1HE2  GLN 154          HE22      GLN 154  18.439   5.950   5.950
 1146   2HE2  GLN 154          HE21      GLN 154  18.402   5.435   5.435
 1147    H    ASN 155           HN       ASN 155  20.901   8.290   8.290
 1148    HA   ASN 155           HA       ASN 155  22.705   7.100   7.100
 1149   1HB   ASN 155           HB2      ASN 155  20.769   9.401   9.401
 1150   2HB   ASN 155           HB1      ASN 155  22.023   8.955   8.955
 1151   1HD2  ASN 155          HD22      ASN 155  23.400  11.698  11.698
 1152   2HD2  ASN 155          HD21      ASN 155  22.145  11.434  11.434
 1153    H    LEU 156           HN       LEU 156  20.718   5.215   5.215
 1154    HA   LEU 156           HA       LEU 156  18.551   5.186   5.186
 1155   1HB   LEU 156           HB1      LEU 156  19.809   3.366   3.366
 1156   2HB   LEU 156           HB2      LEU 156  19.253   2.524   2.524
 1157    HG   LEU 156           HG       LEU 156  17.588   4.188   4.188
 1158   1HD1  LEU 156          HD11      LEU 156  17.923   1.270   1.270
 1159   2HD1  LEU 156          HD13      LEU 156  16.358   1.886   1.886
 1160   3HD1  LEU 156          HD12      LEU 156  17.790   2.133   2.133
 1161   1HD2  LEU 156          HD23      LEU 156  16.921   2.982   2.982
 1162   2HD2  LEU 156          HD22      LEU 156  16.707   4.649   4.649
 1163   3HD2  LEU 156          HD21      LEU 156  15.691   3.372   3.372
 1164    H    MET 157           HN       MET 157  21.407   3.065   3.065
 1165    HA   MET 157           HA       MET 157  21.025   2.202   2.202
 1166   1HB   MET 157           HB2      MET 157  23.112   1.251   1.251
 1167   2HB   MET 157           HB1      MET 157  22.766   1.556   1.556
 1168   1HG   MET 157           HG2      MET 157  24.069   3.614   3.614
 1169   2HG   MET 157           HG1      MET 157  24.435   3.300   3.300
 1170   1HE   MET 157           HE3      MET 157  25.491   0.812   0.812
 1171   2HE   MET 157           HE2      MET 157  27.115   0.675   0.675
 1172   3HE   MET 157           HE1      MET 157  26.578   2.200   2.200
 1173    H    ASP 158           HN       ASP 158  22.082   5.270   5.270
 1174    HA   ASP 158           HA       ASP 158  23.437   6.078   6.078
 1175   1HB   ASP 158           HB1      ASP 158  22.468   8.352   8.352
 1176   2HB   ASP 158           HB2      ASP 158  22.970   7.158   7.158
 1177    H    ILE 159           HN       ILE 159  20.220   6.836   6.836
 1178    HA   ILE 159           HA       ILE 159  19.370   8.436   8.436
 1179    HB   ILE 159           HB       ILE 159  17.493   6.733   6.733
 1180   1HG1  ILE 159          HG12      ILE 159  18.001   9.369   9.369
 1181   2HG1  ILE 159          HG11      ILE 159  19.451   8.374   8.374
 1182   1HG2  ILE 159          HG22      ILE 159  17.363   9.385   9.385
 1183   2HG2  ILE 159          HG21      ILE 159  16.175   8.904   8.904
 1184   3HG2  ILE 159          HG23      ILE 159  16.369   7.955   7.955
 1185   1HD1  ILE 159          HD11      ILE 159  17.879   6.578   6.578
 1186   2HD1  ILE 159          HD13      ILE 159  16.858   7.964   7.964
 1187   3HD1  ILE 159          HD12      ILE 159  18.504   7.883   7.883
 1188    H    LEU 160           HN       LEU 160  19.621   5.000   5.000
 1189    HA   LEU 160           HA       LEU 160  17.739   4.332   4.332
 1190   1HB   LEU 160           HB2      LEU 160  19.988   2.498   2.498
 1191   2HB   LEU 160           HB1      LEU 160  18.275   2.158   2.158
 1192    HG   LEU 160           HG       LEU 160  19.738   3.196   3.196
 1193   1HD1  LEU 160          HD11      LEU 160  18.213   0.742   0.742
 1194   2HD1  LEU 160          HD13      LEU 160  18.233   1.281   1.281
 1195   3HD1  LEU 160          HD12      LEU 160  19.747   0.906   0.906
 1196   1HD2  LEU 160          HD22      LEU 160  16.886   3.540   3.540
 1197   2HD2  LEU 160          HD21      LEU 160  17.959   4.595   4.595
 1198   3HD2  LEU 160          HD23      LEU 160  17.280   3.153   3.153
 1199    H    GLN 161           HN       GLN 161  21.166   5.040   5.040
 1200    HA   GLN 161           HA       GLN 161  21.732   4.161   4.161
 1201   1HB   GLN 161           HB2      GLN 161  23.158   5.406   5.406
 1202   2HB   GLN 161           HB1      GLN 161  23.583   6.149   6.149
 1203   1HG   GLN 161           HG2      GLN 161  23.804   3.637   3.637
 1204   2HG   GLN 161           HG1      GLN 161  24.051   3.385   3.385
 1205   1HE2  GLN 161          HE22      GLN 161  26.940   5.701   5.701
 1206   2HE2  GLN 161          HE21      GLN 161  25.392   5.699   5.699
 1207    H    GLY 162           HN       GLY 162  20.572   7.155   7.155
 1208   1HA   GLY 162           HA2      GLY 162  21.055   8.771   8.771
 1209   2HA   GLY 162           HA1      GLY 162  20.006   9.176   9.176
 1210    H    HIS 163           HN       HIS 163  18.106   7.252   7.252
 1211    HA   HIS 163           HA       HIS 163  16.476   8.079   8.079
 1212   1HB   HIS 163           HB1      HIS 163  16.154   6.129   6.129
 1213   2HB   HIS 163           HB2      HIS 163  14.973   6.165   6.165
 1214    HD2  HIS 163           HD2      HIS 163  16.541   8.988   8.988
 1215    HE1  HIS 163           HE1      HIS 163  12.368   9.559   9.559
 1216    HE2  HIS 163           HE2      HIS 163  14.522  10.544  10.544
 1217    H    MET 164           HN       MET 164  18.780   5.610   5.610
 1218    HA   MET 164           HA       MET 164  17.646   3.749   3.749
 1219   1HB   MET 164           HB2      MET 164  20.133   3.965   3.965
 1220   2HB   MET 164           HB1      MET 164  20.259   3.059   3.059
 1221   1HG   MET 164           HG1      MET 164  18.578   1.526   1.526
 1222   2HG   MET 164           HG2      MET 164  18.181   2.512   2.512
 1223   1HE   MET 164           HE3      MET 164  19.700  -0.294  -0.294
 1224   2HE   MET 164           HE2      MET 164  20.814  -0.960  -0.960
 1225   3HE   MET 164           HE1      MET 164  21.397   0.186   0.186
 1226    H    MET 165           HN       MET 165  19.018   3.067   3.067
 1227    HA   MET 165           HA       MET 165  20.294   5.341   5.341
 1228   1HB   MET 165           HB2      MET 165  18.013   5.462   5.462
 1229   2HB   MET 165           HB1      MET 165  17.992   3.740   3.740
 1230   1HG   MET 165           HG2      MET 165  19.932   4.303   4.303
 1231   2HG   MET 165           HG1      MET 165  19.339   5.956   5.956
 1232   1HE   MET 165           HE3      MET 165  19.795   4.727   4.727
 1233   2HE   MET 165           HE2      MET 165  18.447   5.547   5.547
 1234   3HE   MET 165           HE1      MET 165  18.560   3.789   3.789
 1235    H    ILE 166           HN       ILE 166  21.991   4.789   4.789
 1236    HA   ILE 166           HA       ILE 166  22.323   2.070   2.070
 1237    HB   ILE 166           HB       ILE 166  23.217   1.940   1.940
 1238   1HG1  ILE 166          HG12      ILE 166  25.375   1.862   1.862
 1239   2HG1  ILE 166          HG11      ILE 166  24.210   0.579   0.579
 1240   1HG2  ILE 166          HG23      ILE 166  23.943   4.460   4.460
 1241   2HG2  ILE 166          HG22      ILE 166  25.466   3.753   3.753
 1242   3HG2  ILE 166          HG21      ILE 166  24.811   3.333   3.333
 1243   1HD1  ILE 166          HD12      ILE 166  25.699   1.392   1.392
 1244   2HD1  ILE 166          HD11      ILE 166  26.711   0.756   0.756
 1245   3HD1  ILE 166          HD13      ILE 166  25.388  -0.216  -0.216
 1246    HA   PRO 167           HA       PRO 167  23.839   4.641   4.641
 1247   1HB   PRO 167           HB1      PRO 167  24.804   1.949   1.949
 1248   2HB   PRO 167           HB2      PRO 167  23.919   3.171   3.171
 1249   1HG   PRO 167           HG2      PRO 167  22.675   1.006   1.006
 1250   2HG   PRO 167           HG1      PRO 167  21.877   2.589   2.589
 1251   1HD   PRO 167           HD1      PRO 167  23.083   1.049   1.049
 1252   2HD   PRO 167           HD2      PRO 167  21.663   2.114   2.114
 1253    H    MET 168           HN       MET 168  25.526   5.784   5.784
 1254    HA   MET 168           HA       MET 168  27.951   4.514   4.514
 1255   1HB   MET 168           HB2      MET 168  27.195   7.409   7.409
 1256   2HB   MET 168           HB1      MET 168  28.771   6.897   6.897
 1257   1HG   MET 168           HG1      MET 168  27.532   5.695   5.695
 1258   2HG   MET 168           HG2      MET 168  26.101   6.581   6.581
 1259   1HE   MET 168           HE3      MET 168  29.083   6.235   6.235
 1260   2HE   MET 168           HE2      MET 168  28.903   7.494   7.494
 1261   3HE   MET 168           HE1      MET 168  29.983   7.743   7.743

  Start of MODEL    6
    1   1H    GLY   1           HT2      GLY   1 -20.351  -9.159  -9.159
    2   2H    GLY   1           HT1      GLY   1 -20.032  -9.956  -9.956
    3   3H    GLY   1           HT3      GLY   1 -18.792  -9.725  -9.725
    4   1HA   GLY   1           HA1      GLY   1 -19.234 -11.688 -11.688
    5   2HA   GLY   1           HA2      GLY   1 -20.593 -11.874 -11.874
    6    H    SER   2           HN       SER   2 -20.217  -9.370  -9.370
    7    HA   SER   2           HA       SER   2 -22.809  -9.626  -9.626
    8   1HB   SER   2           HB2      SER   2 -20.388  -8.158  -8.158
    9   2HB   SER   2           HB1      SER   2 -21.356  -8.595  -8.595
   10    HG   SER   2           HG       SER   2 -21.782  -6.576  -6.576
   11    H    MET   3           HN       MET   3 -23.094 -11.911 -11.911
   12    HA   MET   3           HA       MET   3 -21.637 -13.171 -13.171
   13   1HB   MET   3           HB1      MET   3 -23.003 -14.088 -14.088
   14   2HB   MET   3           HB2      MET   3 -23.617 -14.925 -14.925
   15   1HG   MET   3           HG1      MET   3 -21.221 -15.421 -15.421
   16   2HG   MET   3           HG2      MET   3 -20.787 -14.819 -14.819
   17   1HE   MET   3           HE1      MET   3 -22.234 -17.359 -17.359
   18   2HE   MET   3           HE3      MET   3 -20.873 -18.260 -18.260
   19   3HE   MET   3           HE2      MET   3 -22.524 -18.789 -18.789
   20    H    LEU   4           HN       LEU   4 -22.628 -11.650 -11.650
   21    HA   LEU   4           HA       LEU   4 -25.412 -12.306 -12.306
   22   1HB   LEU   4           HB2      LEU   4 -25.404 -10.315 -10.315
   23   2HB   LEU   4           HB1      LEU   4 -24.880  -9.929  -9.929
   24    HG   LEU   4           HG       LEU   4 -22.521 -10.462 -10.462
   25   1HD1  LEU   4          HD23      LEU   4 -24.385  -9.972  -9.972
   26   2HD1  LEU   4          HD22      LEU   4 -23.736  -8.360  -8.360
   27   3HD1  LEU   4          HD21      LEU   4 -22.654  -9.675  -9.675
   28   1HD2  LEU   4          HD11      LEU   4 -23.067  -8.756  -8.756
   29   2HD2  LEU   4          HD13      LEU   4 -21.990  -8.221  -8.221
   30   3HD2  LEU   4          HD12      LEU   4 -23.685  -7.736  -7.736
   31    H    LEU   5           HN       LEU   5 -25.936 -13.406 -13.406
   32    HA   LEU   5           HA       LEU   5 -24.164 -15.006 -15.006
   33   1HB   LEU   5           HB2      LEU   5 -26.911 -14.457 -14.457
   34   2HB   LEU   5           HB1      LEU   5 -26.321 -14.228 -14.228
   35    HG   LEU   5           HG       LEU   5 -27.156 -16.517 -16.517
   36   1HD1  LEU   5          HD21      LEU   5 -25.164 -15.844 -15.844
   37   2HD1  LEU   5          HD23      LEU   5 -24.211 -16.772 -16.772
   38   3HD1  LEU   5          HD22      LEU   5 -25.536 -17.544 -17.544
   39   1HD2  LEU   5          HD13      LEU   5 -26.353 -16.507 -16.507
   40   2HD2  LEU   5          HD12      LEU   5 -26.131 -17.999 -17.999
   41   3HD2  LEU   5          HD11      LEU   5 -24.764 -16.917 -16.917
   42    H    GLU   6           HN       GLU   6 -23.482 -14.974 -14.974
   43    HA   GLU   6           HA       GLU   6 -22.069 -12.615 -12.615
   44   1HB   GLU   6           HB2      GLU   6 -21.412 -14.947 -14.947
   45   2HB   GLU   6           HB1      GLU   6 -22.693 -14.913 -14.913
   46   1HG   GLU   6           HG1      GLU   6 -20.157 -14.273 -14.273
   47   2HG   GLU   6           HG2      GLU   6 -21.530 -13.588 -13.588
   48    H    GLU   7           HN       GLU   7 -23.803 -11.042 -11.042
   49    HA   GLU   7           HA       GLU   7 -25.483 -11.085 -11.085
   50   1HB   GLU   7           HB2      GLU   7 -26.456 -10.832 -10.832
   51   2HB   GLU   7           HB1      GLU   7 -25.865  -9.180  -9.180
   52   1HG   GLU   7           HG1      GLU   7 -28.019 -10.524 -10.524
   53   2HG   GLU   7           HG2      GLU   7 -28.060  -8.998  -8.998
   54    H    VAL   8           HN       VAL   8 -22.717  -9.690  -9.690
   55    HA   VAL   8           HA       VAL   8 -21.497  -7.798  -7.798
   56    HB   VAL   8           HB       VAL   8 -22.536  -8.545  -8.545
   57   1HG1  VAL   8          HG23      VAL   8 -21.759  -6.208  -6.208
   58   2HG1  VAL   8          HG22      VAL   8 -20.209  -6.755  -6.755
   59   3HG1  VAL   8          HG21      VAL   8 -20.716  -7.238  -7.238
   60   1HG2  VAL   8          HG11      VAL   8 -20.197  -9.363  -9.363
   61   2HG2  VAL   8          HG13      VAL   8 -21.297 -10.353 -10.353
   62   3HG2  VAL   8          HG12      VAL   8 -20.067  -9.373  -9.373
   63    H    CYS   9           HN       CYS   9 -23.720  -7.120  -7.120
   64    HA   CYS   9           HA       CYS   9 -25.019  -5.309  -5.309
   65   1HB   CYS   9           HB2      CYS   9 -26.471  -6.062  -6.062
   66   2HB   CYS   9           HB1      CYS   9 -25.386  -5.466  -5.466
   67    HG   CYS   9           HG       CYS   9 -26.546  -3.257  -3.257
   68    H    VAL  10           HN       VAL  10 -23.873  -4.197  -4.197
   69    HA   VAL  10           HA       VAL  10 -22.885  -1.754  -1.754
   70    HB   VAL  10           HB       VAL  10 -24.165  -1.768  -1.768
   71   1HG1  VAL  10          HG23      VAL  10 -22.165  -3.647  -3.647
   72   2HG1  VAL  10          HG22      VAL  10 -21.965  -2.235  -2.235
   73   3HG1  VAL  10          HG21      VAL  10 -23.517  -3.069  -3.069
   74   1HG2  VAL  10          HG13      VAL  10 -21.567  -0.429  -0.429
   75   2HG2  VAL  10          HG12      VAL  10 -23.178   0.258   0.258
   76   3HG2  VAL  10          HG11      VAL  10 -22.266  -0.287  -0.287
   77    H    GLY  11           HN       GLY  11 -21.671  -4.792  -4.792
   78   1HA   GLY  11           HA1      GLY  11 -19.101  -4.311  -4.311
   79   2HA   GLY  11           HA2      GLY  11 -19.563  -5.683  -5.683
   80    H    ASP  12           HN       ASP  12 -20.069  -4.810  -4.810
   81    HA   ASP  12           HA       ASP  12 -17.510  -3.807  -3.807
   82   1HB   ASP  12           HB2      ASP  12 -18.381  -4.339  -4.339
   83   2HB   ASP  12           HB1      ASP  12 -18.485  -5.712  -5.712
   84    H    ARG  13           HN       ARG  13 -19.841  -2.182  -2.182
   85    HA   ARG  13           HA       ARG  13 -20.456  -0.259  -0.259
   86   1HB   ARG  13           HB2      ARG  13 -22.088  -0.810  -0.810
   87   2HB   ARG  13           HB1      ARG  13 -20.989  -0.150  -0.150
   88   1HG   ARG  13           HG2      ARG  13 -22.461   1.589   1.589
   89   2HG   ARG  13           HG1      ARG  13 -21.131   2.014   2.014
   90   1HD   ARG  13           HD1      ARG  13 -23.080   2.351   2.351
   91   2HD   ARG  13           HD2      ARG  13 -22.426   0.813   0.813
   92    HE   ARG  13           HE       ARG  13 -24.362   0.525   0.525
   93   1HH1  ARG  13          HH11      ARG  13 -23.917   0.900   0.900
   94   2HH1  ARG  13          HH12      ARG  13 -25.425   0.152   0.152
   95   1HH2  ARG  13          HH21      ARG  13 -26.348  -0.463  -0.463
   96   2HH2  ARG  13          HH22      ARG  13 -26.808  -0.624  -0.624
   97    H    LEU  14           HN       LEU  14 -18.973   0.117   0.117
   98    HA   LEU  14           HA       LEU  14 -17.726   2.580   2.580
   99   1HB   LEU  14           HB2      LEU  14 -18.109   2.527   2.527
  100   2HB   LEU  14           HB1      LEU  14 -17.787   0.808   0.808
  101    HG   LEU  14           HG       LEU  14 -15.378   1.235   1.235
  102   1HD1  LEU  14          HD22      LEU  14 -15.934   3.482   3.482
  103   2HD1  LEU  14          HD21      LEU  14 -15.748   4.156   4.156
  104   3HD1  LEU  14          HD23      LEU  14 -14.426   3.248   3.248
  105   1HD2  LEU  14          HD11      LEU  14 -17.134   2.112   2.112
  106   2HD2  LEU  14          HD13      LEU  14 -15.574   1.298   1.298
  107   3HD2  LEU  14          HD12      LEU  14 -15.645   3.057   3.057
  108    H    SER  15           HN       SER  15 -16.560  -0.742  -0.742
  109    HA   SER  15           HA       SER  15 -13.839  -0.282  -0.282
  110   1HB   SER  15           HB1      SER  15 -13.852  -2.483  -2.483
  111   2HB   SER  15           HB2      SER  15 -15.587  -2.556  -2.556
  112    HG   SER  15           HG       SER  15 -13.443  -2.982  -2.982
  113    H    GLY  16           HN       GLY  16 -16.439  -0.532  -0.532
  114   1HA   GLY  16           HA1      GLY  16 -14.761  -0.778  -0.778
  115   2HA   GLY  16           HA2      GLY  16 -16.467  -0.354  -0.354
  116    H    ALA  17           HN       ALA  17 -16.476   1.963   1.963
  117    HA   ALA  17           HA       ALA  17 -15.602   3.859   3.859
  118   1HB   ALA  17           HB2      ALA  17 -17.580   4.004   4.004
  119   2HB   ALA  17           HB1      ALA  17 -16.381   4.591   4.591
  120   3HB   ALA  17           HB3      ALA  17 -16.665   5.471   5.471
  121    H    ALA  18           HN       ALA  18 -14.545   3.190   3.190
  122    HA   ALA  18           HA       ALA  18 -12.490   5.064   5.064
  123   1HB   ALA  18           HB2      ALA  18 -12.725   2.384   2.384
  124   2HB   ALA  18           HB1      ALA  18 -11.552   3.629   3.629
  125   3HB   ALA  18           HB3      ALA  18 -13.276   3.942   3.942
  126    H    ALA  19           HN       ALA  19 -12.458   1.729   1.729
  127    HA   ALA  19           HA       ALA  19  -9.650   1.664   1.664
  128   1HB   ALA  19           HB3      ALA  19 -11.086  -0.346  -0.346
  129   2HB   ALA  19           HB2      ALA  19 -11.764  -0.092  -0.092
  130   3HB   ALA  19           HB1      ALA  19 -10.046  -0.446  -0.446
  131    H    ARG  20           HN       ARG  20 -12.380   2.871   2.871
  132    HA   ARG  20           HA       ARG  20 -11.237   2.775   2.775
  133   1HB   ARG  20           HB1      ARG  20 -13.565   4.266   4.266
  134   2HB   ARG  20           HB2      ARG  20 -13.072   4.505   4.505
  135   1HG   ARG  20           HG1      ARG  20 -13.350   1.697   1.697
  136   2HG   ARG  20           HG2      ARG  20 -14.837   2.603   2.603
  137   1HD   ARG  20           HD1      ARG  20 -15.114   2.070   2.070
  138   2HD   ARG  20           HD2      ARG  20 -14.298   3.625   3.625
  139    HE   ARG  20           HE       ARG  20 -12.511   1.373   1.373
  140   1HH1  ARG  20          HH21      ARG  20 -14.510   3.417   3.417
  141   2HH1  ARG  20          HH22      ARG  20 -13.625   3.094   3.094
  142   1HH2  ARG  20          HH11      ARG  20 -11.337   0.939   0.939
  143   2HH2  ARG  20          HH12      ARG  20 -11.820   1.683   1.683
  144    H    GLY  21           HN       GLY  21 -11.500   5.270   5.270
  145   1HA   GLY  21           HA2      GLY  21  -9.776   6.871   6.871
  146   2HA   GLY  21           HA1      GLY  21  -9.286   6.693   6.693
  147    H    ASP  22           HN       ASP  22 -12.028   7.807   7.807
  148    HA   ASP  22           HA       ASP  22 -12.265  10.123  10.123
  149   1HB   ASP  22           HB2      ASP  22 -14.831   8.993   8.993
  150   2HB   ASP  22           HB1      ASP  22 -13.996   8.061   8.061
  151    H    VAL  23           HN       VAL  23 -11.685  11.681  11.681
  152    HA   VAL  23           HA       VAL  23 -12.004  11.715  11.715
  153    HB   VAL  23           HB       VAL  23 -12.055  14.316  14.316
  154   1HG1  VAL  23          HG22      VAL  23 -10.061  12.397  12.397
  155   2HG1  VAL  23          HG21      VAL  23  -9.517  13.426  13.426
  156   3HG1  VAL  23          HG23      VAL  23  -9.897  14.136  14.136
  157   1HG2  VAL  23          HG13      VAL  23 -12.689  13.971  13.971
  158   2HG2  VAL  23          HG12      VAL  23 -11.363  15.089  15.089
  159   3HG2  VAL  23          HG11      VAL  23 -11.021  13.457  13.457
  160    H    GLN  24           HN       GLN  24 -14.351  12.251  12.251
  161    HA   GLN  24           HA       GLN  24 -16.212  13.728  13.728
  162   1HB   GLN  24           HB2      GLN  24 -16.773  12.082  12.082
  163   2HB   GLN  24           HB1      GLN  24 -17.775  13.367  13.367
  164   1HG   GLN  24           HG2      GLN  24 -15.669  14.840  14.840
  165   2HG   GLN  24           HG1      GLN  24 -15.188  13.551  13.551
  166   1HE2  GLN  24          HE22      GLN  24 -18.380  14.171  14.171
  167   2HE2  GLN  24          HE21      GLN  24 -17.824  12.884  12.884
  168    H    GLU  25           HN       GLU  25 -16.066  10.334  10.334
  169    HA   GLU  25           HA       GLU  25 -18.340   9.518   9.518
  170   1HB   GLU  25           HB1      GLU  25 -16.053   7.828   7.828
  171   2HB   GLU  25           HB2      GLU  25 -17.636   7.242   7.242
  172   1HG   GLU  25           HG1      GLU  25 -16.967   8.950   8.950
  173   2HG   GLU  25           HG2      GLU  25 -17.590   7.300   7.300
  174    H    VAL  26           HN       VAL  26 -14.854   9.307   9.307
  175    HA   VAL  26           HA       VAL  26 -14.880   7.822   7.822
  176    HB   VAL  26           HB       VAL  26 -12.820   8.550   8.550
  177   1HG1  VAL  26          HG12      VAL  26 -13.586  10.937  10.937
  178   2HG1  VAL  26          HG11      VAL  26 -13.145  11.166  11.166
  179   3HG1  VAL  26          HG13      VAL  26 -11.912  10.722  10.722
  180   1HG2  VAL  26          HG22      VAL  26 -13.201   8.741   8.741
  181   2HG2  VAL  26          HG21      VAL  26 -12.191   7.647   7.647
  182   3HG2  VAL  26          HG23      VAL  26 -11.660   9.303   9.303
  183    H    ARG  27           HN       ARG  27 -15.130  11.362  11.362
  184    HA   ARG  27           HA       ARG  27 -15.471  11.811  11.811
  185   1HB   ARG  27           HB2      ARG  27 -16.210  13.576  13.576
  186   2HB   ARG  27           HB1      ARG  27 -16.120  14.091  14.091
  187   1HG   ARG  27           HG2      ARG  27 -13.783  13.860  13.860
  188   2HG   ARG  27           HG1      ARG  27 -13.759  12.928  12.928
  189   1HD   ARG  27           HD2      ARG  27 -14.313  14.835  14.835
  190   2HD   ARG  27           HD1      ARG  27 -14.691  15.784  15.784
  191    HE   ARG  27           HE       ARG  27 -12.060  15.212  15.212
  192   1HH1  ARG  27          HH11      ARG  27 -13.940  16.389  16.389
  193   2HH1  ARG  27          HH12      ARG  27 -12.628  17.281  17.281
  194   1HH2  ARG  27          HH21      ARG  27 -10.325  16.384  16.384
  195   2HH2  ARG  27          HH22      ARG  27 -10.574  17.281  17.281
  196    H    ARG  28           HN       ARG  28 -17.774  11.939  11.939
  197    HA   ARG  28           HA       ARG  28 -20.067  12.345  12.345
  198   1HB   ARG  28           HB1      ARG  28 -19.743  11.093  11.093
  199   2HB   ARG  28           HB2      ARG  28 -21.299  11.486  11.486
  200   1HG   ARG  28           HG1      ARG  28 -20.060  13.862  13.862
  201   2HG   ARG  28           HG2      ARG  28 -19.272  13.242  13.242
  202   1HD   ARG  28           HD2      ARG  28 -22.205  12.947  12.947
  203   2HD   ARG  28           HD1      ARG  28 -21.593  14.588  14.588
  204    HE   ARG  28           HE       ARG  28 -20.330  13.643  13.643
  205   1HH1  ARG  28          HH21      ARG  28 -23.371  12.342  12.342
  206   2HH1  ARG  28          HH22      ARG  28 -23.810  11.727  11.727
  207   1HH2  ARG  28          HH11      ARG  28 -20.900  12.812  12.812
  208   2HH2  ARG  28          HH12      ARG  28 -22.412  11.997  11.997
  209    H    LEU  29           HN       LEU  29 -18.214   9.505   9.505
  210    HA   LEU  29           HA       LEU  29 -20.263   7.609   7.609
  211   1HB   LEU  29           HB2      LEU  29 -17.290   7.490   7.490
  212   2HB   LEU  29           HB1      LEU  29 -18.137   6.128   6.128
  213    HG   LEU  29           HG       LEU  29 -17.743   6.729   6.729
  214   1HD1  LEU  29          HD22      LEU  29 -18.754   4.572   4.572
  215   2HD1  LEU  29          HD21      LEU  29 -19.415   4.581   4.581
  216   3HD1  LEU  29          HD23      LEU  29 -17.670   4.516   4.516
  217   1HD2  LEU  29          HD12      LEU  29 -19.780   8.092   8.092
  218   2HD2  LEU  29          HD11      LEU  29 -20.002   6.652   6.652
  219   3HD2  LEU  29          HD13      LEU  29 -20.664   6.706   6.706
  220    H    LEU  30           HN       LEU  30 -17.247   8.184   8.184
  221    HA   LEU  30           HA       LEU  30 -18.372   7.167   7.167
  222   1HB   LEU  30           HB2      LEU  30 -15.792   8.645   8.645
  223   2HB   LEU  30           HB1      LEU  30 -16.220   7.882   7.882
  224    HG   LEU  30           HG       LEU  30 -15.469   6.611   6.611
  225   1HD1  LEU  30          HD12      LEU  30 -14.024   7.121   7.121
  226   2HD1  LEU  30          HD11      LEU  30 -14.683   5.550   5.550
  227   3HD1  LEU  30          HD13      LEU  30 -13.746   5.717   5.717
  228   1HD2  LEU  30          HD21      LEU  30 -17.373   5.565   5.565
  229   2HD2  LEU  30          HD23      LEU  30 -17.320   5.311   5.311
  230   3HD2  LEU  30          HD22      LEU  30 -16.198   4.448   4.448
  231    H    HIS  31           HN       HIS  31 -17.530  10.418  10.418
  232    HA   HIS  31           HA       HIS  31 -18.256  11.714  11.714
  233   1HB   HIS  31           HB1      HIS  31 -16.926  12.454  12.454
  234   2HB   HIS  31           HB2      HIS  31 -18.417  13.388  13.388
  235    HD2  HIS  31           HD2      HIS  31 -15.051  13.351  13.351
  236    HE1  HIS  31           HE1      HIS  31 -17.446  16.360  16.360
  237    HE2  HIS  31           HE2      HIS  31 -15.160  15.262  15.262
  238    H    ARG  32           HN       ARG  32 -20.171  10.160  10.160
  239    HA   ARG  32           HA       ARG  32 -22.521  11.612  11.612
  240   1HB   ARG  32           HB1      ARG  32 -21.514  12.202  12.202
  241   2HB   ARG  32           HB2      ARG  32 -22.698  10.959  10.959
  242   1HG   ARG  32           HG2      ARG  32 -23.900  12.767  12.767
  243   2HG   ARG  32           HG1      ARG  32 -23.124  13.698  13.698
  244   1HD   ARG  32           HD2      ARG  32 -24.514  12.918  12.918
  245   2HD   ARG  32           HD1      ARG  32 -24.650  11.325  11.325
  246    HE   ARG  32           HE       ARG  32 -25.990  13.082  13.082
  247   1HH1  ARG  32          HH21      ARG  32 -26.235  11.976  11.976
  248   2HH1  ARG  32          HH22      ARG  32 -27.954  12.176  12.176
  249   1HH2  ARG  32          HH11      ARG  32 -28.255  13.349  13.349
  250   2HH2  ARG  32          HH12      ARG  32 -29.103  12.960  12.960
  251    H    GLU  33           HN       GLU  33 -22.028   9.238   9.238
  252    HA   GLU  33           HA       GLU  33 -24.172   7.627   7.627
  253   1HB   GLU  33           HB2      GLU  33 -22.500   7.504   7.504
  254   2HB   GLU  33           HB1      GLU  33 -21.518   6.500   6.500
  255   1HG   GLU  33           HG1      GLU  33 -24.070   5.389   5.389
  256   2HG   GLU  33           HG2      GLU  33 -23.813   5.801   5.801
  257    H    LEU  34           HN       LEU  34 -21.256   7.899   7.899
  258    HA   LEU  34           HA       LEU  34 -20.493   6.881   6.881
  259   1HB   LEU  34           HB1      LEU  34 -23.454   6.651   6.651
  260   2HB   LEU  34           HB2      LEU  34 -22.490   5.733   5.733
  261    HG   LEU  34           HG       LEU  34 -22.170   8.707   8.707
  262   1HD1  LEU  34          HD11      LEU  34 -24.484   7.687   7.687
  263   2HD1  LEU  34          HD13      LEU  34 -23.591   7.640   7.640
  264   3HD1  LEU  34          HD12      LEU  34 -23.794   9.169   9.169
  265   1HD2  LEU  34          HD21      LEU  34 -21.268   6.749   6.749
  266   2HD2  LEU  34          HD23      LEU  34 -20.265   7.731   7.731
  267   3HD2  LEU  34          HD22      LEU  34 -21.210   8.498   8.498
  268    H    VAL  35           HN       VAL  35 -20.318   5.385   5.385
  269    HA   VAL  35           HA       VAL  35 -21.192   2.714   2.714
  270    HB   VAL  35           HB       VAL  35 -18.697   3.319   3.319
  271   1HG1  VAL  35          HG12      VAL  35 -21.129   1.600   1.600
  272   2HG1  VAL  35          HG11      VAL  35 -19.863   1.831   1.831
  273   3HG1  VAL  35          HG13      VAL  35 -19.480   1.074   1.074
  274   1HG2  VAL  35          HG21      VAL  35 -21.328   4.592   4.592
  275   2HG2  VAL  35          HG23      VAL  35 -19.710   5.149   5.149
  276   3HG2  VAL  35          HG22      VAL  35 -20.521   3.941   3.941
  277    H    HIS  36           HN       HIS  36 -20.221   0.925   0.925
  278    HA   HIS  36           HA       HIS  36 -18.464   1.215   1.215
  279   1HB   HIS  36           HB1      HIS  36 -20.086  -0.774  -0.774
  280   2HB   HIS  36           HB2      HIS  36 -18.509  -1.427  -1.427
  281    HD2  HIS  36           HD2      HIS  36 -19.964   0.190   0.190
  282    HE1  HIS  36           HE1      HIS  36 -17.594  -3.194  -3.194
  283    HE2  HIS  36           HE2      HIS  36 -19.175  -1.447  -1.447
  284    HA   PRO  37           HA       PRO  37 -14.500   1.503   1.503
  285   1HB   PRO  37           HB1      PRO  37 -12.984   0.486   0.486
  286   2HB   PRO  37           HB2      PRO  37 -13.622   2.134   2.134
  287   1HG   PRO  37           HG2      PRO  37 -14.686  -0.293  -0.293
  288   2HG   PRO  37           HG1      PRO  37 -14.558   1.374   1.374
  289   1HD   PRO  37           HD2      PRO  37 -16.887   0.354   0.354
  290   2HD   PRO  37           HD1      PRO  37 -16.454   2.058   2.058
  291    H    ASP  38           HN       ASP  38 -15.849  -1.461  -1.461
  292    HA   ASP  38           HA       ASP  38 -13.746  -3.101  -3.101
  293   1HB   ASP  38           HB2      ASP  38 -15.950  -4.720  -4.720
  294   2HB   ASP  38           HB1      ASP  38 -15.848  -3.482  -3.482
  295    H    ALA  39           HN       ALA  39 -17.234  -3.626  -3.626
  296    HA   ALA  39           HA       ALA  39 -18.420  -4.420  -4.420
  297   1HB   ALA  39           HB3      ALA  39 -17.715  -1.721  -1.721
  298   2HB   ALA  39           HB2      ALA  39 -17.511  -2.438  -2.438
  299   3HB   ALA  39           HB1      ALA  39 -19.061  -2.564  -2.564
  300    H    LEU  40           HN       LEU  40 -17.537  -6.365  -6.365
  301    HA   LEU  40           HA       LEU  40 -15.216  -6.416  -6.416
  302   1HB   LEU  40           HB1      LEU  40 -16.727  -8.431  -8.431
  303   2HB   LEU  40           HB2      LEU  40 -15.845  -8.990  -8.990
  304    HG   LEU  40           HG       LEU  40 -13.768  -8.416  -8.416
  305   1HD1  LEU  40          HD22      LEU  40 -15.288  -6.728  -6.728
  306   2HD1  LEU  40          HD21      LEU  40 -13.560  -7.063  -7.063
  307   3HD1  LEU  40          HD23      LEU  40 -14.202  -6.173  -6.173
  308   1HD2  LEU  40          HD13      LEU  40 -15.616  -9.484  -9.484
  309   2HD2  LEU  40          HD12      LEU  40 -14.472 -10.363 -10.363
  310   3HD2  LEU  40          HD11      LEU  40 -13.883  -9.314  -9.314
  311    H    ASN  41           HN       ASN  41 -15.285  -6.753  -6.753
  312    HA   ASN  41           HA       ASN  41 -17.731  -6.568  -6.568
  313   1HB   ASN  41           HB1      ASN  41 -16.234  -7.208  -7.208
  314   2HB   ASN  41           HB2      ASN  41 -15.864  -5.715  -5.715
  315   1HD2  ASN  41          HD22      ASN  41 -12.602  -6.648  -6.648
  316   2HD2  ASN  41          HD21      ASN  41 -13.784  -5.421  -5.421
  317    H    ARG  42           HN       ARG  42 -18.286  -8.195  -8.195
  318    HA   ARG  42           HA       ARG  42 -19.313 -10.489 -10.489
  319   1HB   ARG  42           HB2      ARG  42 -19.055  -9.386  -9.386
  320   2HB   ARG  42           HB1      ARG  42 -18.346 -10.989 -10.989
  321   1HG   ARG  42           HG2      ARG  42 -20.742 -11.273 -11.273
  322   2HG   ARG  42           HG1      ARG  42 -21.091 -10.240 -10.240
  323   1HD   ARG  42           HD1      ARG  42 -19.546 -12.791 -12.791
  324   2HD   ARG  42           HD2      ARG  42 -21.309 -12.789 -12.789
  325    HE   ARG  42           HE       ARG  42 -20.178 -10.924 -10.924
  326   1HH1  ARG  42          HH21      ARG  42 -21.177 -14.220 -14.220
  327   2HH1  ARG  42          HH22      ARG  42 -21.440 -14.537 -14.537
  328   1HH2  ARG  42          HH11      ARG  42 -20.518 -11.328 -11.328
  329   2HH2  ARG  42          HH12      ARG  42 -21.064 -12.892 -12.892
  330    H    PHE  43           HN       PHE  43 -16.048 -10.044 -10.044
  331    HA   PHE  43           HA       PHE  43 -15.253 -12.745 -12.745
  332   1HB   PHE  43           HB1      PHE  43 -14.064 -10.820 -10.820
  333   2HB   PHE  43           HB2      PHE  43 -13.435 -10.374 -10.374
  334    HD1  PHE  43           HD1      PHE  43 -13.909 -13.791 -13.791
  335    HD2  PHE  43           HD2      PHE  43 -11.145 -10.744 -10.744
  336    HE1  PHE  43           HE1      PHE  43 -12.045 -15.377 -15.377
  337    HE2  PHE  43           HE2      PHE  43  -9.277 -12.324 -12.324
  338    HZ   PHE  43           HZ       PHE  43  -9.726 -14.644 -14.644
  339    H    GLY  44           HN       GLY  44 -14.859 -10.132 -10.132
  340   1HA   GLY  44           HA1      GLY  44 -15.289 -10.787 -10.787
  341   2HA   GLY  44           HA2      GLY  44 -14.324 -12.220 -12.220
  342    H    LYS  45           HN       LYS  45 -13.427  -9.097  -9.097
  343    HA   LYS  45           HA       LYS  45 -11.024  -9.172  -9.172
  344   1HB   LYS  45           HB2      LYS  45 -11.604  -8.353  -8.353
  345   2HB   LYS  45           HB1      LYS  45 -10.766  -7.084  -7.084
  346   1HG   LYS  45           HG1      LYS  45  -8.865  -8.338  -8.338
  347   2HG   LYS  45           HG2      LYS  45  -9.727  -9.872  -9.872
  348   1HD   LYS  45           HD2      LYS  45  -9.557  -9.909  -9.909
  349   2HD   LYS  45           HD1      LYS  45  -9.823  -8.170  -8.170
  350   1HE   LYS  45           HE2      LYS  45  -7.585  -8.760  -8.760
  351   2HE   LYS  45           HE1      LYS  45  -7.515  -7.760  -7.760
  352   1HZ   LYS  45           HZ2      LYS  45  -7.458 -10.694 -10.694
  353   2HZ   LYS  45           HZ1      LYS  45  -6.045  -9.853  -9.853
  354   3HZ   LYS  45           HZ3      LYS  45  -6.847  -9.527  -9.527
  355    H    THR  46           HN       THR  46 -10.217  -7.195  -7.195
  356    HA   THR  46           HA       THR  46 -12.362  -5.646  -5.646
  357    HB   THR  46           HB       THR  46 -10.235  -4.555  -4.555
  358    HG1  THR  46           HG1      THR  46  -9.155  -7.086  -7.086
  359   1HG2  THR  46          HG21      THR  46 -11.214  -7.336  -7.336
  360   2HG2  THR  46          HG23      THR  46 -10.147  -6.413  -6.413
  361   3HG2  THR  46          HG22      THR  46 -11.775  -5.826  -5.826
  362    H    ALA  47           HN       ALA  47 -12.500  -3.373  -3.373
  363    HA   ALA  47           HA       ALA  47 -12.083  -2.184  -2.184
  364   1HB   ALA  47           HB3      ALA  47 -13.761  -1.568  -1.568
  365   2HB   ALA  47           HB2      ALA  47 -12.453  -0.580  -0.580
  366   3HB   ALA  47           HB1      ALA  47 -13.070  -0.269  -0.269
  367    H    LEU  48           HN       LEU  48 -10.194  -2.130  -2.130
  368    HA   LEU  48           HA       LEU  48  -8.414  -0.064  -0.064
  369   1HB   LEU  48           HB1      LEU  48  -8.927  -1.093  -1.093
  370   2HB   LEU  48           HB2      LEU  48  -7.599  -2.161  -2.161
  371    HG   LEU  48           HG       LEU  48  -6.202  -0.092  -0.092
  372   1HD1  LEU  48          HD23      LEU  48  -8.501   1.267   1.267
  373   2HD1  LEU  48          HD22      LEU  48  -8.062   1.457   1.457
  374   3HD1  LEU  48          HD21      LEU  48  -6.956   1.997   1.997
  375   1HD2  LEU  48          HD12      LEU  48  -7.305  -0.607  -0.607
  376   2HD2  LEU  48          HD11      LEU  48  -5.914  -1.390  -1.390
  377   3HD2  LEU  48          HD13      LEU  48  -5.848   0.324   0.324
  378    H    GLN  49           HN       GLN  49  -8.254  -3.605  -3.605
  379    HA   GLN  49           HA       GLN  49  -5.620  -3.728  -3.728
  380   1HB   GLN  49           HB2      GLN  49  -7.320  -5.547  -5.547
  381   2HB   GLN  49           HB1      GLN  49  -7.419  -5.985  -5.985
  382   1HG   GLN  49           HG1      GLN  49  -4.684  -5.569  -5.569
  383   2HG   GLN  49           HG2      GLN  49  -5.440  -6.692  -6.692
  384   1HE2  GLN  49          HE22      GLN  49  -4.279  -8.963  -8.963
  385   2HE2  GLN  49          HE21      GLN  49  -3.795  -8.107  -8.107
  386    H    VAL  50           HN       VAL  50  -8.443  -2.677  -2.677
  387    HA   VAL  50           HA       VAL  50  -7.453  -3.310  -3.310
  388    HB   VAL  50           HB       VAL  50  -9.842  -3.188  -3.188
  389   1HG1  VAL  50          HG13      VAL  50  -8.613  -5.319  -5.319
  390   2HG1  VAL  50          HG12      VAL  50 -10.355  -5.460  -5.460
  391   3HG1  VAL  50          HG11      VAL  50  -9.281  -5.369  -5.369
  392   1HG2  VAL  50          HG23      VAL  50 -10.207  -2.566  -2.566
  393   2HG2  VAL  50          HG22      VAL  50 -11.320  -2.367  -2.367
  394   3HG2  VAL  50          HG21      VAL  50 -11.221  -3.915  -3.915
  395    H    MET  51           HN       MET  51  -8.444  -0.901  -0.901
  396    HA   MET  51           HA       MET  51  -9.432   1.117   1.117
  397   1HB   MET  51           HB1      MET  51  -9.237   2.397   2.397
  398   2HB   MET  51           HB2      MET  51  -8.719   0.913   0.913
  399   1HG   MET  51           HG2      MET  51  -6.927   3.036   3.036
  400   2HG   MET  51           HG1      MET  51  -7.245   2.752   2.752
  401   1HE   MET  51           HE3      MET  51  -4.877   2.614   2.614
  402   2HE   MET  51           HE2      MET  51  -5.699   1.254   1.254
  403   3HE   MET  51           HE1      MET  51  -4.095   1.034   1.034
  404    H    MET  52           HN       MET  52  -8.501   2.932   2.932
  405    HA   MET  52           HA       MET  52  -5.944   2.331   2.331
  406   1HB   MET  52           HB2      MET  52  -6.938   3.179   3.179
  407   2HB   MET  52           HB1      MET  52  -8.376   3.508   3.508
  408   1HG   MET  52           HG1      MET  52  -7.970   5.576   5.576
  409   2HG   MET  52           HG2      MET  52  -7.047   5.677   5.677
  410   1HE   MET  52           HE1      MET  52  -7.387   6.528   6.528
  411   2HE   MET  52           HE3      MET  52  -5.995   7.605   7.605
  412   3HE   MET  52           HE2      MET  52  -5.954   6.227   6.227
  413    H    PHE  53           HN       PHE  53  -4.101   3.397   3.397
  414    HA   PHE  53           HA       PHE  53  -4.153   5.338   5.338
  415   1HB   PHE  53           HB2      PHE  53  -1.803   4.166   4.166
  416   2HB   PHE  53           HB1      PHE  53  -1.698   5.161   5.161
  417    HD1  PHE  53           HD2      PHE  53  -3.298   2.008   2.008
  418    HD2  PHE  53           HD1      PHE  53  -1.505   4.116   4.116
  419    HE1  PHE  53           HE2      PHE  53  -3.453  -0.016  -0.016
  420    HE2  PHE  53           HE1      PHE  53  -1.659   2.090   2.090
  421    HZ   PHE  53           HZ       PHE  53  -2.633   0.023   0.023
  422    H    GLY  54           HN       GLY  54  -5.363   6.314   6.314
  423   1HA   GLY  54           HA2      GLY  54  -3.422   8.056   8.056
  424   2HA   GLY  54           HA1      GLY  54  -5.127   7.917   7.917
  425    H    SER  55           HN       SER  55  -6.163   8.289   8.289
  426    HA   SER  55           HA       SER  55  -5.477  11.117  11.117
  427   1HB   SER  55           HB2      SER  55  -7.668  11.265  11.265
  428   2HB   SER  55           HB1      SER  55  -8.095   9.678   9.678
  429    HG   SER  55           HG       SER  55  -9.000  10.938  10.938
  430    HA   PRO  56           HA       PRO  56  -4.247   9.836   9.836
  431   1HB   PRO  56           HB2      PRO  56  -4.233  12.280  12.280
  432   2HB   PRO  56           HB1      PRO  56  -2.973  11.746  11.746
  433   1HG   PRO  56           HG2      PRO  56  -5.345  13.501  13.501
  434   2HG   PRO  56           HG1      PRO  56  -3.671  13.691  13.691
  435   1HD   PRO  56           HD1      PRO  56  -5.624  12.701  12.701
  436   2HD   PRO  56           HD2      PRO  56  -3.936  12.166  12.166
  437    H    ALA  57           HN       ALA  57  -7.043  11.946  11.946
  438    HA   ALA  57           HA       ALA  57  -8.142  11.677  11.677
  439   1HB   ALA  57           HB2      ALA  57  -8.854  12.939  12.939
  440   2HB   ALA  57           HB1      ALA  57 -10.232  11.967  11.967
  441   3HB   ALA  57           HB3      ALA  57  -9.550  13.180  13.180
  442    H    VAL  58           HN       VAL  58  -8.169   9.608   9.608
  443    HA   VAL  58           HA       VAL  58 -10.376   7.998   7.998
  444    HB   VAL  58           HB       VAL  58  -7.958   7.681   7.681
  445   1HG1  VAL  58          HG11      VAL  58  -9.558   5.471   5.471
  446   2HG1  VAL  58          HG13      VAL  58  -9.266   5.427   5.427
  447   3HG1  VAL  58          HG12      VAL  58  -7.907   5.486   5.486
  448   1HG2  VAL  58          HG22      VAL  58 -10.926   7.805   7.805
  449   2HG2  VAL  58          HG21      VAL  58  -9.671   8.840   8.840
  450   3HG2  VAL  58          HG23      VAL  58  -9.866   7.189   7.189
  451    H    ALA  59           HN       ALA  59  -6.903   7.579   7.579
  452    HA   ALA  59           HA       ALA  59  -7.133   5.185   5.185
  453   1HB   ALA  59           HB2      ALA  59  -5.024   7.315   7.315
  454   2HB   ALA  59           HB1      ALA  59  -4.863   5.926   5.926
  455   3HB   ALA  59           HB3      ALA  59  -4.995   5.681   5.681
  456    H    LEU  60           HN       LEU  60  -6.837   8.556   8.556
  457    HA   LEU  60           HA       LEU  60  -7.011   8.012   8.012
  458   1HB   LEU  60           HB2      LEU  60  -6.163  10.124  10.124
  459   2HB   LEU  60           HB1      LEU  60  -7.753  10.510  10.510
  460    HG   LEU  60           HG       LEU  60  -7.476  10.016  10.016
  461   1HD1  LEU  60          HD11      LEU  60  -5.610  11.504  11.504
  462   2HD1  LEU  60          HD13      LEU  60  -6.705  12.593  12.593
  463   3HD1  LEU  60          HD12      LEU  60  -6.878  12.351  12.351
  464   1HD2  LEU  60          HD21      LEU  60  -9.158  11.860  11.860
  465   2HD2  LEU  60          HD23      LEU  60  -9.680  10.357  10.357
  466   3HD2  LEU  60          HD22      LEU  60  -9.233  11.740  11.740
  467    H    GLU  61           HN       GLU  61  -9.476   8.662   8.662
  468    HA   GLU  61           HA       GLU  61 -11.660   8.983   8.983
  469   1HB   GLU  61           HB2      GLU  61 -11.332   8.331   8.331
  470   2HB   GLU  61           HB1      GLU  61 -12.903   8.039   8.039
  471   1HG   GLU  61           HG2      GLU  61 -13.398  10.168  10.168
  472   2HG   GLU  61           HG1      GLU  61 -12.122  10.598  10.598
  473    H    LEU  62           HN       LEU  62 -10.679   6.102   6.102
  474    HA   LEU  62           HA       LEU  62 -12.571   4.371   4.371
  475   1HB   LEU  62           HB1      LEU  62  -9.965   3.927   3.927
  476   2HB   LEU  62           HB2      LEU  62 -10.875   2.579   2.579
  477    HG   LEU  62           HG       LEU  62 -12.827   3.766   3.766
  478   1HD1  LEU  62          HD23      LEU  62 -10.250   4.518   4.518
  479   2HD1  LEU  62          HD22      LEU  62 -11.786   4.406   4.406
  480   3HD1  LEU  62          HD21      LEU  62 -11.592   5.568   5.568
  481   1HD2  LEU  62          HD13      LEU  62 -11.108   1.516   1.516
  482   2HD2  LEU  62          HD12      LEU  62 -12.759   1.730   1.730
  483   3HD2  LEU  62          HD11      LEU  62 -11.397   2.218   2.218
  484    H    LEU  63           HN       LEU  63  -9.158   4.942   4.942
  485    HA   LEU  63           HA       LEU  63  -9.002   3.046   3.046
  486   1HB   LEU  63           HB2      LEU  63  -7.405   5.379   5.379
  487   2HB   LEU  63           HB1      LEU  63  -7.166   4.851   4.851
  488    HG   LEU  63           HG       LEU  63  -7.088   2.571   2.571
  489   1HD1  LEU  63          HD21      LEU  63  -5.520   4.965   4.965
  490   2HD1  LEU  63          HD23      LEU  63  -4.853   3.347   3.347
  491   3HD1  LEU  63          HD22      LEU  63  -6.377   3.778   3.778
  492   1HD2  LEU  63          HD11      LEU  63  -5.796   3.602   3.602
  493   2HD2  LEU  63          HD13      LEU  63  -5.633   1.996   1.996
  494   3HD2  LEU  63          HD12      LEU  63  -4.545   3.293   3.293
  495    H    LYS  64           HN       LYS  64  -9.902   6.461   6.461
  496    HA   LYS  64           HA       LYS  64 -10.031   6.812   6.812
  497   1HB   LYS  64           HB1      LYS  64 -11.149   8.210   8.210
  498   2HB   LYS  64           HB2      LYS  64 -11.811   8.605   8.605
  499   1HG   LYS  64           HG1      LYS  64  -8.927   8.584   8.584
  500   2HG   LYS  64           HG2      LYS  64  -9.545   9.682   9.682
  501   1HD   LYS  64           HD1      LYS  64 -10.542  11.059  11.059
  502   2HD   LYS  64           HD2      LYS  64 -10.829   9.754   9.754
  503   1HE   LYS  64           HE2      LYS  64  -8.001  10.227  10.227
  504   2HE   LYS  64           HE1      LYS  64  -8.835  11.680  11.680
  505   1HZ   LYS  64           HZ2      LYS  64  -9.387   9.157   9.157
  506   2HZ   LYS  64           HZ1      LYS  64  -7.910   9.922   9.922
  507   3HZ   LYS  64           HZ3      LYS  64  -9.363  10.736  10.736
  508    H    GLN  65           HN       GLN  65 -12.302   5.498   5.498
  509    HA   GLN  65           HA       GLN  65 -14.580   5.530   5.530
  510   1HB   GLN  65           HB1      GLN  65 -13.876   4.529   4.529
  511   2HB   GLN  65           HB2      GLN  65 -14.945   3.431   3.431
  512   1HG   GLN  65           HG2      GLN  65 -15.432   6.282   6.282
  513   2HG   GLN  65           HG1      GLN  65 -16.359   4.846   4.846
  514   1HE2  GLN  65          HE22      GLN  65 -17.775   6.989   6.989
  515   2HE2  GLN  65          HE21      GLN  65 -16.897   7.485   7.485
  516    H    GLY  66           HN       GLY  66 -12.463   2.833   2.833
  517   1HA   GLY  66           HA2      GLY  66 -11.983   1.693   1.693
  518   2HA   GLY  66           HA1      GLY  66 -13.572   1.082   1.082
  519    H    ALA  67           HN       ALA  67 -10.934   1.769   1.769
  520    HA   ALA  67           HA       ALA  67 -11.012  -1.029  -1.029
  521   1HB   ALA  67           HB1      ALA  67  -9.845   1.420   1.420
  522   2HB   ALA  67           HB3      ALA  67  -9.747  -0.211  -0.211
  523   3HB   ALA  67           HB2      ALA  67 -11.317   0.565   0.565
  524    H    SER  68           HN       SER  68  -9.662  -2.273  -2.273
  525    HA   SER  68           HA       SER  68  -7.314  -1.385  -1.385
  526   1HB   SER  68           HB1      SER  68  -8.271  -4.148  -4.148
  527   2HB   SER  68           HB2      SER  68  -6.795  -3.866  -3.866
  528    HG   SER  68           HG       SER  68  -9.404  -3.761  -3.761
  529    HA   PRO  69           HA       PRO  69  -4.706  -1.055  -1.055
  530   1HB   PRO  69           HB1      PRO  69  -2.388  -0.626  -0.626
  531   2HB   PRO  69           HB2      PRO  69  -3.569   0.636   0.636
  532   1HG   PRO  69           HG1      PRO  69  -3.203  -0.943  -0.943
  533   2HG   PRO  69           HG2      PRO  69  -3.542   0.786   0.786
  534   1HD   PRO  69           HD1      PRO  69  -5.470  -0.968  -0.968
  535   2HD   PRO  69           HD2      PRO  69  -5.796   0.428   0.428
  536    H    ASN  70           HN       ASN  70  -4.500  -3.329  -3.329
  537    HA   ASN  70           HA       ASN  70  -2.381  -4.854  -4.854
  538   1HB   ASN  70           HB1      ASN  70  -3.732  -5.039  -5.039
  539   2HB   ASN  70           HB2      ASN  70  -2.780  -6.383  -6.383
  540   1HD2  ASN  70          HD22      ASN  70  -1.002  -3.036  -3.036
  541   2HD2  ASN  70          HD21      ASN  70  -2.714  -3.142  -3.142
  542    H    VAL  71           HN       VAL  71  -3.359  -5.693  -5.693
  543    HA   VAL  71           HA       VAL  71  -5.197  -7.897  -7.897
  544    HB   VAL  71           HB       VAL  71  -6.753  -7.236  -7.236
  545   1HG1  VAL  71          HG23      VAL  71  -7.132  -6.543  -6.543
  546   2HG1  VAL  71          HG22      VAL  71  -6.428  -4.976  -4.976
  547   3HG1  VAL  71          HG21      VAL  71  -7.915  -5.500  -5.500
  548   1HG2  VAL  71          HG12      VAL  71  -4.918  -5.810  -5.810
  549   2HG2  VAL  71          HG11      VAL  71  -6.604  -5.305  -5.305
  550   3HG2  VAL  71          HG13      VAL  71  -5.521  -4.515  -4.515
  551    H    GLN  72           HN       GLN  72  -5.395  -9.345  -9.345
  552    HA   GLN  72           HA       GLN  72  -3.511  -9.000  -9.000
  553   1HB   GLN  72           HB1      GLN  72  -3.231 -11.208 -11.208
  554   2HB   GLN  72           HB2      GLN  72  -2.472 -11.253 -11.253
  555   1HG   GLN  72           HG1      GLN  72  -0.749 -10.413 -10.413
  556   2HG   GLN  72           HG2      GLN  72  -1.550  -8.901  -8.901
  557   1HE2  GLN  72          HE22      GLN  72  -0.866  -8.575  -8.575
  558   2HE2  GLN  72          HE21      GLN  72  -0.032  -8.561  -8.561
  559    H    ASP  73           HN       ASP  73  -3.493 -11.401 -11.401
  560    HA   ASP  73           HA       ASP  73  -6.252 -12.377 -12.377
  561   1HB   ASP  73           HB1      ASP  73  -5.030 -12.108 -12.108
  562   2HB   ASP  73           HB2      ASP  73  -5.343 -10.567 -10.567
  563    H    ALA  74           HN       ALA  74  -5.189 -14.162 -14.162
  564    HA   ALA  74           HA       ALA  74  -3.938 -16.101 -16.101
  565   1HB   ALA  74           HB1      ALA  74  -5.523 -16.413 -16.413
  566   2HB   ALA  74           HB3      ALA  74  -4.706 -17.738 -17.738
  567   3HB   ALA  74           HB2      ALA  74  -6.014 -16.870 -16.870
  568    H    SER  75           HN       SER  75  -2.006 -14.567 -14.567
  569    HA   SER  75           HA       SER  75  -0.252 -15.996 -15.996
  570   1HB   SER  75           HB2      SER  75   0.175 -13.894 -13.894
  571   2HB   SER  75           HB1      SER  75  -1.121 -15.019 -15.019
  572    HG   SER  75           HG       SER  75  -1.671 -12.712 -12.712
  573    H    GLY  76           HN       GLY  76  -0.615 -12.538 -12.538
  574   1HA   GLY  76           HA2      GLY  76   0.701 -12.027 -12.027
  575   2HA   GLY  76           HA1      GLY  76   2.053 -12.656 -12.656
  576    H    THR  77           HN       THR  77  -0.589 -10.645 -10.645
  577    HA   THR  77           HA       THR  77   1.331  -8.445  -8.445
  578    HB   THR  77           HB       THR  77  -0.660  -9.531  -9.531
  579    HG1  THR  77           HG1      THR  77   1.075 -10.490 -10.490
  580   1HG2  THR  77          HG23      THR  77   0.942  -6.992  -6.992
  581   2HG2  THR  77          HG22      THR  77   0.103  -7.754  -7.754
  582   3HG2  THR  77          HG21      THR  77  -0.814  -7.138  -7.138
  583    H    SER  78           HN       SER  78   0.595  -6.427  -6.427
  584    HA   SER  78           HA       SER  78  -2.255  -6.156  -6.156
  585   1HB   SER  78           HB2      SER  78  -0.649  -4.292  -4.292
  586   2HB   SER  78           HB1      SER  78  -1.725  -5.550  -5.550
  587    HG   SER  78           HG       SER  78   1.035  -5.673  -5.673
  588    HA   PRO  79           HA       PRO  79  -2.708  -2.375  -2.375
  589   1HB   PRO  79           HB1      PRO  79  -2.659  -0.715  -0.715
  590   2HB   PRO  79           HB2      PRO  79  -3.892  -0.825  -0.825
  591   1HG   PRO  79           HG1      PRO  79  -4.268  -1.947  -1.947
  592   2HG   PRO  79           HG2      PRO  79  -4.839  -2.733  -2.733
  593   1HD   PRO  79           HD2      PRO  79  -2.459  -3.366  -3.366
  594   2HD   PRO  79           HD1      PRO  79  -3.555  -4.463  -4.463
  595    H    VAL  80           HN       VAL  80  -0.312  -2.189  -2.189
  596    HA   VAL  80           HA       VAL  80   1.091   0.047   0.047
  597    HB   VAL  80           HB       VAL  80   1.742  -2.128  -2.128
  598   1HG1  VAL  80          HG11      VAL  80   3.613   0.054   0.054
  599   2HG1  VAL  80          HG13      VAL  80   3.864  -1.012  -1.012
  600   3HG1  VAL  80          HG12      VAL  80   3.826  -1.677  -1.677
  601   1HG2  VAL  80          HG21      VAL  80   0.790   0.633   0.633
  602   2HG2  VAL  80          HG23      VAL  80   0.615  -0.662  -0.662
  603   3HG2  VAL  80          HG22      VAL  80   2.095   0.297   0.297
  604    H    HIS  81           HN       HIS  81   1.163  -3.359  -3.359
  605    HA   HIS  81           HA       HIS  81   3.709  -3.515  -3.515
  606   1HB   HIS  81           HB1      HIS  81   1.194  -5.131  -5.131
  607   2HB   HIS  81           HB2      HIS  81   2.526  -5.452  -5.452
  608    HD2  HIS  81           HD2      HIS  81   4.496  -7.008  -7.008
  609    HE1  HIS  81           HE1      HIS  81   3.217  -6.947  -6.947
  610    HE2  HIS  81           HE2      HIS  81   4.963  -7.822  -7.822
  611    H    ASP  82           HN       ASP  82   0.585  -3.539  -3.539
  612    HA   ASP  82           HA       ASP  82   1.575  -3.023  -3.023
  613   1HB   ASP  82           HB2      ASP  82  -0.705  -2.215  -2.215
  614   2HB   ASP  82           HB1      ASP  82  -0.723  -3.725  -3.725
  615    H    ALA  83           HN       ALA  83   0.398  -0.685  -0.685
  616    HA   ALA  83           HA       ALA  83   0.685   1.645   1.645
  617   1HB   ALA  83           HB1      ALA  83  -0.205   1.184   1.184
  618   2HB   ALA  83           HB3      ALA  83   1.429   1.663   1.663
  619   3HB   ALA  83           HB2      ALA  83   0.406   2.774   2.774
  620    H    ALA  84           HN       ALA  84   3.115  -0.456  -0.456
  621    HA   ALA  84           HA       ALA  84   5.237   1.438   1.438
  622   1HB   ALA  84           HB2      ALA  84   4.895  -1.196  -1.196
  623   2HB   ALA  84           HB1      ALA  84   6.066  -1.286  -1.286
  624   3HB   ALA  84           HB3      ALA  84   6.400  -0.281  -0.281
  625    H    ARG  85           HN       ARG  85   4.796  -1.214  -1.214
  626    HA   ARG  85           HA       ARG  85   6.623  -0.041  -0.041
  627   1HB   ARG  85           HB2      ARG  85   4.635  -2.141  -2.141
  628   2HB   ARG  85           HB1      ARG  85   6.297  -1.933  -1.933
  629   1HG   ARG  85           HG2      ARG  85   6.915  -2.487  -2.487
  630   2HG   ARG  85           HG1      ARG  85   5.271  -3.123  -3.123
  631   1HD   ARG  85           HD1      ARG  85   7.525  -4.030  -4.030
  632   2HD   ARG  85           HD2      ARG  85   6.618  -4.963  -4.963
  633    HE   ARG  85           HE       ARG  85   4.984  -3.976  -3.976
  634   1HH1  ARG  85          HH11      ARG  85   7.148  -6.523  -6.523
  635   2HH1  ARG  85          HH12      ARG  85   6.490  -7.684  -7.684
  636   1HH2  ARG  85          HH21      ARG  85   4.108  -5.499  -5.499
  637   2HH2  ARG  85          HH22      ARG  85   4.762  -7.102  -7.102
  638    H    THR  86           HN       THR  86   3.116  -0.169  -0.169
  639    HA   THR  86           HA       THR  86   2.373   0.774   0.774
  640    HB   THR  86           HB       THR  86   0.317   1.572   1.572
  641    HG1  THR  86           HG1      THR  86   1.909   1.398   1.398
  642   1HG2  THR  86          HG21      THR  86   1.385  -1.086  -1.086
  643   2HG2  THR  86          HG23      THR  86   0.186  -0.627  -0.627
  644   3HG2  THR  86          HG22      THR  86  -0.226  -0.577  -0.577
  645    H    GLY  87           HN       GLY  87   4.079   2.405   2.405
  646   1HA   GLY  87           HA2      GLY  87   4.954   4.531   4.531
  647   2HA   GLY  87           HA1      GLY  87   4.458   4.721   4.721
  648    H    PHE  88           HN       PHE  88   3.030   4.559   4.559
  649    HA   PHE  88           HA       PHE  88   1.392   6.894   6.894
  650   1HB   PHE  88           HB2      PHE  88   0.394   4.357   4.357
  651   2HB   PHE  88           HB1      PHE  88  -0.535   5.848   5.848
  652    HD1  PHE  88           HD1      PHE  88   0.433   6.558   6.558
  653    HD2  PHE  88           HD2      PHE  88  -1.093   2.967   2.967
  654    HE1  PHE  88           HE1      PHE  88  -0.396   5.855   5.855
  655    HE2  PHE  88           HE2      PHE  88  -1.924   2.257   2.257
  656    HZ   PHE  88           HZ       PHE  88  -1.576   3.702   3.702
  657    H    LEU  89           HN       LEU  89   3.674   7.172   7.172
  658    HA   LEU  89           HA       LEU  89   3.696   6.812   6.812
  659   1HB   LEU  89           HB2      LEU  89   5.619   7.560   7.560
  660   2HB   LEU  89           HB1      LEU  89   4.862   9.131   9.131
  661    HG   LEU  89           HG       LEU  89   4.925   9.255   9.255
  662   1HD1  LEU  89          HD21      LEU  89   6.484   6.788   6.788
  663   2HD1  LEU  89          HD23      LEU  89   7.077   7.885   7.885
  664   3HD1  LEU  89          HD22      LEU  89   5.454   7.206   7.206
  665   1HD2  LEU  89          HD11      LEU  89   7.113   9.585   9.585
  666   2HD2  LEU  89          HD13      LEU  89   6.371  10.757  10.757
  667   3HD2  LEU  89          HD12      LEU  89   7.574   9.621   9.621
  668    H    ASP  90           HN       ASP  90   1.654   8.859   8.859
  669    HA   ASP  90           HA       ASP  90   1.287  10.930  10.930
  670   1HB   ASP  90           HB2      ASP  90  -0.292  11.771  11.771
  671   2HB   ASP  90           HB1      ASP  90  -0.992  10.193  10.193
  672    H    THR  91           HN       THR  91  -1.184   8.538   8.538
  673    HA   THR  91           HA       THR  91  -2.526   8.774   8.774
  674    HB   THR  91           HB       THR  91  -2.813   6.578   6.578
  675    HG1  THR  91           HG1      THR  91  -3.494   9.221   9.221
  676   1HG2  THR  91          HG21      THR  91  -4.421   7.410   7.410
  677   2HG2  THR  91          HG23      THR  91  -5.283   6.932   6.932
  678   3HG2  THR  91          HG22      THR  91  -4.162   5.809   5.809
  679    H    LEU  92           HN       LEU  92  -0.141   6.585   6.585
  680    HA   LEU  92           HA       LEU  92  -0.286   4.470   4.470
  681   1HB   LEU  92           HB2      LEU  92   1.165   4.284   4.284
  682   2HB   LEU  92           HB1      LEU  92   2.043   5.736   5.736
  683    HG   LEU  92           HG       LEU  92   2.090   3.289   3.289
  684   1HD1  LEU  92          HD13      LEU  92   2.814   2.880   2.880
  685   2HD1  LEU  92          HD12      LEU  92   4.207   3.882   3.882
  686   3HD1  LEU  92          HD11      LEU  92   3.904   2.392   2.392
  687   1HD2  LEU  92          HD23      LEU  92   3.579   5.853   5.853
  688   2HD2  LEU  92          HD22      LEU  92   3.013   4.977   4.977
  689   3HD2  LEU  92          HD21      LEU  92   4.444   4.419   4.419
  690    H    LYS  93           HN       LYS  93   1.496   7.518   7.518
  691    HA   LYS  93           HA       LYS  93   2.763   7.024   7.024
  692   1HB   LYS  93           HB1      LYS  93   2.389   9.233   9.233
  693   2HB   LYS  93           HB2      LYS  93   1.915   9.765   9.765
  694   1HG   LYS  93           HG1      LYS  93   4.028   9.954   9.954
  695   2HG   LYS  93           HG2      LYS  93   4.357   8.280   8.280
  696   1HD   LYS  93           HD2      LYS  93   5.167   8.850   8.850
  697   2HD   LYS  93           HD1      LYS  93   4.142  10.281  10.281
  698   1HE   LYS  93           HE2      LYS  93   6.544  10.025  10.025
  699   2HE   LYS  93           HE1      LYS  93   6.540  10.828  10.828
  700   1HZ   LYS  93           HZ2      LYS  93   4.782  12.317  12.317
  701   2HZ   LYS  93           HZ1      LYS  93   5.040  11.630  11.630
  702   3HZ   LYS  93           HZ3      LYS  93   6.285  12.480  12.480
  703    H    VAL  94           HN       VAL  94  -0.511   8.144   8.144
  704    HA   VAL  94           HA       VAL  94  -1.272   9.008   9.008
  705    HB   VAL  94           HB       VAL  94  -2.927   7.521   7.521
  706   1HG1  VAL  94          HG23      VAL  94  -3.572   8.425   8.425
  707   2HG1  VAL  94          HG22      VAL  94  -4.626   9.132   9.132
  708   3HG1  VAL  94          HG21      VAL  94  -4.481   7.380   7.380
  709   1HG2  VAL  94          HG11      VAL  94  -2.229  10.386  10.386
  710   2HG2  VAL  94          HG13      VAL  94  -2.302   9.470   9.470
  711   3HG2  VAL  94          HG12      VAL  94  -3.791   9.975   9.975
  712    H    LEU  95           HN       LEU  95  -1.943   5.730   5.730
  713    HA   LEU  95           HA       LEU  95  -2.605   4.727   4.727
  714   1HB   LEU  95           HB1      LEU  95  -3.093   2.718   2.718
  715   2HB   LEU  95           HB2      LEU  95  -3.398   3.898   3.898
  716    HG   LEU  95           HG       LEU  95  -0.697   2.647   2.647
  717   1HD1  LEU  95          HD22      LEU  95  -3.228   1.203   1.203
  718   2HD1  LEU  95          HD21      LEU  95  -1.893   0.912   0.912
  719   3HD1  LEU  95          HD23      LEU  95  -1.683   0.609   0.609
  720   1HD2  LEU  95          HD13      LEU  95  -1.389   4.443   4.443
  721   2HD2  LEU  95          HD12      LEU  95  -0.753   2.968   2.968
  722   3HD2  LEU  95          HD11      LEU  95  -2.492   3.267   3.267
  723    H    VAL  96           HN       VAL  96   0.270   4.652   4.652
  724    HA   VAL  96           HA       VAL  96   1.710   2.772   2.772
  725    HB   VAL  96           HB       VAL  96   2.458   4.738   4.738
  726   1HG1  VAL  96          HG12      VAL  96   4.439   3.130   3.130
  727   2HG1  VAL  96          HG11      VAL  96   4.802   4.019   4.019
  728   3HG1  VAL  96          HG13      VAL  96   4.302   4.889   4.889
  729   1HG2  VAL  96          HG21      VAL  96   1.476   2.354   2.354
  730   2HG2  VAL  96          HG23      VAL  96   2.819   2.875   2.875
  731   3HG2  VAL  96          HG22      VAL  96   3.119   1.826   1.826
  732    H    GLU  97           HN       GLU  97   1.725   6.331   6.331
  733    HA   GLU  97           HA       GLU  97   3.740   6.742   6.742
  734   1HB   GLU  97           HB2      GLU  97   2.976   8.988   8.988
  735   2HB   GLU  97           HB1      GLU  97   2.684   8.477   8.477
  736   1HG   GLU  97           HG2      GLU  97   0.609   8.535   8.535
  737   2HG   GLU  97           HG1      GLU  97   0.836   9.789   9.789
  738    H    HIS  98           HN       HIS  98   0.326   6.045   6.045
  739    HA   HIS  98           HA       HIS  98   0.095   6.711   6.711
  740   1HB   HIS  98           HB2      HIS  98  -1.499   5.304   5.304
  741   2HB   HIS  98           HB1      HIS  98  -1.682   4.622   4.622
  742    HD2  HIS  98           HD2      HIS  98  -4.256   6.072   6.072
  743    HE1  HIS  98           HE1      HIS  98  -3.048   9.366   9.366
  744    HE2  HIS  98           HE2      HIS  98  -4.926   8.379   8.379
  745    H    GLY  99           HN       GLY  99   1.079   3.741   3.741
  746   1HA   GLY  99           HA2      GLY  99   2.883   2.582   2.582
  747   2HA   GLY  99           HA1      GLY  99   1.658   2.552   2.552
  748    H    ALA 100           HN       ALA 100   1.098   2.027   2.027
  749    HA   ALA 100           HA       ALA 100  -0.427  -0.301  -0.301
  750   1HB   ALA 100           HB2      ALA 100   0.410   1.306   1.306
  751   2HB   ALA 100           HB1      ALA 100   0.440  -0.414  -0.414
  752   3HB   ALA 100           HB3      ALA 100  -1.044   0.329   0.329
  753    H    ASP 101           HN       ASP 101   0.237  -2.296  -2.296
  754    HA   ASP 101           HA       ASP 101   2.447  -3.519  -3.519
  755   1HB   ASP 101           HB2      ASP 101   1.177  -4.752  -4.752
  756   2HB   ASP 101           HB1      ASP 101   0.219  -4.569  -4.569
  757    H    VAL 102           HN       VAL 102   4.045  -1.905  -1.905
  758    HA   VAL 102           HA       VAL 102   4.887  -2.167  -2.167
  759    HB   VAL 102           HB       VAL 102   6.628  -0.469  -0.469
  760   1HG1  VAL 102          HG12      VAL 102   3.697   0.134   0.134
  761   2HG1  VAL 102          HG11      VAL 102   4.933   1.392   1.392
  762   3HG1  VAL 102          HG13      VAL 102   4.710   0.322   0.322
  763   1HG2  VAL 102          HG21      VAL 102   6.457  -1.118  -1.118
  764   2HG2  VAL 102          HG23      VAL 102   6.571   0.601   0.601
  765   3HG2  VAL 102          HG22      VAL 102   5.011  -0.108  -0.108
  766    H    ASN 103           HN       ASN 103   5.159  -4.295  -4.295
  767    HA   ASN 103           HA       ASN 103   8.011  -4.832  -4.832
  768   1HB   ASN 103           HB2      ASN 103   6.522  -4.807  -4.807
  769   2HB   ASN 103           HB1      ASN 103   7.693  -6.103  -6.103
  770   1HD2  ASN 103          HD22      ASN 103   9.938  -3.838  -3.838
  771   2HD2  ASN 103          HD21      ASN 103   8.942  -5.226  -5.226
  772    H    ALA 104           HN       ALA 104   5.034  -5.757  -5.757
  773    HA   ALA 104           HA       ALA 104   5.268  -8.609  -8.609
  774   1HB   ALA 104           HB3      ALA 104   3.199  -6.770  -6.770
  775   2HB   ALA 104           HB2      ALA 104   3.187  -8.408  -8.408
  776   3HB   ALA 104           HB1      ALA 104   3.055  -8.153  -8.153
  777    H    LEU 105           HN       LEU 105   5.286 -10.166 -10.166
  778    HA   LEU 105           HA       LEU 105   6.431  -9.166  -9.166
  779   1HB   LEU 105           HB2      LEU 105   7.326 -11.769 -11.769
  780   2HB   LEU 105           HB1      LEU 105   8.131 -10.755 -10.755
  781    HG   LEU 105           HG       LEU 105   7.768  -9.680  -9.680
  782   1HD1  LEU 105          HD13      LEU 105   8.990 -12.180 -12.180
  783   2HD1  LEU 105          HD12      LEU 105  10.281 -11.015 -11.015
  784   3HD1  LEU 105          HD11      LEU 105   8.995 -11.219 -11.219
  785   1HD2  LEU 105          HD23      LEU 105   9.167  -8.976  -8.976
  786   2HD2  LEU 105          HD22      LEU 105   9.096  -8.114  -8.114
  787   3HD2  LEU 105          HD21      LEU 105  10.353  -9.318  -9.318
  788    H    ASP 106           HN       ASP 106   5.864 -10.267 -10.267
  789    HA   ASP 106           HA       ASP 106   3.455 -11.837 -11.837
  790   1HB   ASP 106           HB2      ASP 106   3.781 -10.017 -10.017
  791   2HB   ASP 106           HB1      ASP 106   3.269 -11.563 -11.563
  792    H    SER 107           HN       SER 107   3.441 -13.610 -13.610
  793    HA   SER 107           HA       SER 107   4.564 -15.887 -15.887
  794   1HB   SER 107           HB2      SER 107   4.721 -16.019 -16.019
  795   2HB   SER 107           HB1      SER 107   3.517 -16.735 -16.735
  796    HG   SER 107           HG       SER 107   2.190 -15.327 -15.327
  797    H    THR 108           HN       THR 108   6.054 -13.821 -13.821
  798    HA   THR 108           HA       THR 108   8.437 -15.280 -15.280
  799    HB   THR 108           HB       THR 108   9.357 -13.052 -13.052
  800    HG1  THR 108           HG1      THR 108   7.939 -11.679 -11.679
  801   1HG2  THR 108          HG23      THR 108   7.138 -14.611 -14.611
  802   2HG2  THR 108          HG22      THR 108   7.428 -13.025 -13.025
  803   3HG2  THR 108          HG21      THR 108   8.722 -14.222 -14.222
  804    H    GLY 109           HN       GLY 109   7.353 -13.036 -13.036
  805   1HA   GLY 109           HA2      GLY 109   8.294 -12.685 -12.685
  806   2HA   GLY 109           HA1      GLY 109   9.734 -13.540 -13.540
  807    H    SER 110           HN       SER 110   9.383 -11.547 -11.547
  808    HA   SER 110           HA       SER 110  11.494  -9.866  -9.866
  809   1HB   SER 110           HB2      SER 110   9.537  -8.662  -8.662
  810   2HB   SER 110           HB1      SER 110  11.220  -9.107  -9.107
  811    HG   SER 110           HG       SER 110   8.997 -10.412 -10.412
  812    H    LEU 111           HN       LEU 111  11.666  -8.306  -8.306
  813    HA   LEU 111           HA       LEU 111   9.575  -7.273  -7.273
  814   1HB   LEU 111           HB1      LEU 111  12.395  -6.891  -6.891
  815   2HB   LEU 111           HB2      LEU 111  11.629  -5.316  -5.316
  816    HG   LEU 111           HG       LEU 111  11.086  -7.506  -7.506
  817   1HD1  LEU 111          HD13      LEU 111  13.236  -5.430  -5.430
  818   2HD1  LEU 111          HD12      LEU 111  12.582  -5.985  -5.985
  819   3HD1  LEU 111          HD11      LEU 111  13.344  -7.134  -7.134
  820   1HD2  LEU 111          HD23      LEU 111  10.048  -4.851  -4.851
  821   2HD2  LEU 111          HD22      LEU 111   9.474  -6.107  -6.107
  822   3HD2  LEU 111          HD21      LEU 111  10.744  -4.997  -4.997
  823    HA   PRO 112           HA       PRO 112   7.306  -4.590  -4.590
  824   1HB   PRO 112           HB2      PRO 112   7.235  -2.954  -2.954
  825   2HB   PRO 112           HB1      PRO 112   5.919  -3.372  -3.372
  826   1HG   PRO 112           HG1      PRO 112   6.211  -4.653  -4.653
  827   2HG   PRO 112           HG2      PRO 112   5.706  -5.517  -5.517
  828   1HD   PRO 112           HD1      PRO 112   8.318  -5.554  -5.554
  829   2HD   PRO 112           HD2      PRO 112   7.545  -6.814  -6.814
  830    H    ILE 113           HN       ILE 113   9.898  -3.429  -3.429
  831    HA   ILE 113           HA       ILE 113  10.227  -0.931  -0.931
  832    HB   ILE 113           HB       ILE 113  11.011  -0.967  -0.967
  833   1HG1  ILE 113          HG11      ILE 113  13.721  -1.219  -1.219
  834   2HG1  ILE 113          HG12      ILE 113  12.682  -0.281  -0.281
  835   1HG2  ILE 113          HG22      ILE 113  12.566  -3.425  -3.425
  836   2HG2  ILE 113          HG21      ILE 113  12.812  -2.546  -2.546
  837   3HG2  ILE 113          HG23      ILE 113  11.254  -3.299  -3.299
  838   1HD1  ILE 113          HD13      ILE 113  12.587   0.371   0.371
  839   2HD1  ILE 113          HD12      ILE 113  14.049   0.805   0.805
  840   3HD1  ILE 113          HD11      ILE 113  12.485   1.425   1.425
  841    H    HIS 114           HN       HIS 114  11.845  -4.079  -4.079
  842    HA   HIS 114           HA       HIS 114  13.945  -3.464  -3.464
  843   1HB   HIS 114           HB2      HIS 114  12.304  -5.974  -5.974
  844   2HB   HIS 114           HB1      HIS 114  13.678  -5.890  -5.890
  845    HD2  HIS 114           HD2      HIS 114  15.715  -7.105  -7.105
  846    HE1  HIS 114           HE1      HIS 114  15.072  -5.528  -5.528
  847    HE2  HIS 114           HE2      HIS 114  16.469  -7.121  -7.121
  848    H    LEU 115           HN       LEU 115  10.561  -3.756  -3.756
  849    HA   LEU 115           HA       LEU 115  10.798  -4.078  -4.078
  850   1HB   LEU 115           HB2      LEU 115   8.415  -2.701  -2.701
  851   2HB   LEU 115           HB1      LEU 115   8.520  -4.026  -4.026
  852    HG   LEU 115           HG       LEU 115   8.757  -4.202  -4.202
  853   1HD1  LEU 115          HD13      LEU 115   6.666  -4.919  -4.919
  854   2HD1  LEU 115          HD12      LEU 115   6.808  -5.849  -5.849
  855   3HD1  LEU 115          HD11      LEU 115   6.499  -4.114  -4.114
  856   1HD2  LEU 115          HD21      LEU 115  10.077  -5.797  -5.797
  857   2HD2  LEU 115          HD23      LEU 115   9.719  -6.202  -6.202
  858   3HD2  LEU 115          HD22      LEU 115   8.623  -6.714  -6.714
  859    H    ALA 116           HN       ALA 116  10.041  -1.245  -1.245
  860    HA   ALA 116           HA       ALA 116   9.884   0.665   0.665
  861   1HB   ALA 116           HB2      ALA 116   9.528   0.831   0.831
  862   2HB   ALA 116           HB1      ALA 116  11.213   1.352   1.352
  863   3HB   ALA 116           HB3      ALA 116  10.011   2.256   2.256
  864    H    ILE 117           HN       ILE 117  12.729  -0.560  -0.560
  865    HA   ILE 117           HA       ILE 117  14.657   1.146   1.146
  866    HB   ILE 117           HB       ILE 117  14.880  -1.730  -1.730
  867   1HG1  ILE 117          HG12      ILE 117  15.998   0.679   0.679
  868   2HG1  ILE 117          HG11      ILE 117  14.302   0.247   0.247
  869   1HG2  ILE 117          HG22      ILE 117  16.976   0.177   0.177
  870   2HG2  ILE 117          HG21      ILE 117  17.369  -1.111  -1.111
  871   3HG2  ILE 117          HG23      ILE 117  16.710  -1.507  -1.507
  872   1HD1  ILE 117          HD11      ILE 117  15.741  -2.116  -2.116
  873   2HD1  ILE 117          HD13      ILE 117  16.614  -0.851  -0.851
  874   3HD1  ILE 117          HD12      ILE 117  14.906  -1.133  -1.133
  875    H    ARG 118           HN       ARG 118  13.348  -1.911  -1.911
  876    HA   ARG 118           HA       ARG 118  15.070  -2.017  -2.017
  877   1HB   ARG 118           HB1      ARG 118  13.799  -3.883  -3.883
  878   2HB   ARG 118           HB2      ARG 118  13.809  -3.959  -3.959
  879   1HG   ARG 118           HG2      ARG 118  11.595  -3.809  -3.809
  880   2HG   ARG 118           HG1      ARG 118  11.551  -2.449  -2.449
  881   1HD   ARG 118           HD2      ARG 118  10.758  -3.788  -3.788
  882   2HD   ARG 118           HD1      ARG 118  12.228  -4.758  -4.758
  883    HE   ARG 118           HE       ARG 118  10.529  -5.524  -5.524
  884   1HH1  ARG 118          HH11      ARG 118  10.691  -5.642  -5.642
  885   2HH1  ARG 118          HH12      ARG 118   9.742  -7.086  -7.086
  886   1HH2  ARG 118          HH21      ARG 118   9.279  -7.428  -7.428
  887   2HH2  ARG 118          HH22      ARG 118   8.940  -8.103  -8.103
  888    H    GLU 119           HN       GLU 119  12.335  -0.178  -0.178
  889    HA   GLU 119           HA       GLU 119  11.525   0.259   0.259
  890   1HB   GLU 119           HB2      GLU 119  10.385   0.752   0.752
  891   2HB   GLU 119           HB1      GLU 119  10.109   2.055   2.055
  892   1HG   GLU 119           HG1      GLU 119   8.255   0.729   0.729
  893   2HG   GLU 119           HG2      GLU 119   9.329   0.170   0.170
  894    H    GLY 120           HN       GLY 120  12.610   2.264   2.264
  895   1HA   GLY 120           HA1      GLY 120  14.349   3.886   3.886
  896   2HA   GLY 120           HA2      GLY 120  14.023   3.982   3.982
  897    H    HIS 121           HN       HIS 121  11.328   3.988   3.988
  898    HA   HIS 121           HA       HIS 121  10.268   6.376   6.376
  899   1HB   HIS 121           HB2      HIS 121   9.780   4.950   4.950
  900   2HB   HIS 121           HB1      HIS 121   8.808   6.299   6.299
  901    HD2  HIS 121           HD2      HIS 121   8.952   2.533   2.533
  902    HE1  HIS 121           HE1      HIS 121   6.395   3.872   3.872
  903    HE2  HIS 121           HE2      HIS 121   7.079   1.887   1.887
  904    H    SER 122           HN       SER 122  12.794   5.861   5.861
  905    HA   SER 122           HA       SER 122  14.185   7.320   7.320
  906   1HB   SER 122           HB1      SER 122  12.507   9.603   9.603
  907   2HB   SER 122           HB2      SER 122  14.213   9.616   9.616
  908    HG   SER 122           HG       SER 122  13.190   9.199   9.199
  909    H    SER 123           HN       SER 123  10.958   8.848   8.848
  910    HA   SER 123           HA       SER 123  11.214   9.584   9.584
  911   1HB   SER 123           HB1      SER 123   8.647   9.337   9.337
  912   2HB   SER 123           HB2      SER 123   8.938  10.343  10.343
  913    HG   SER 123           HG       SER 123   9.901  10.667  10.667
  914    H    VAL 124           HN       VAL 124   9.672   6.879   6.879
  915    HA   VAL 124           HA       VAL 124   8.441   5.812   5.812
  916    HB   VAL 124           HB       VAL 124   9.081   4.366   4.366
  917   1HG1  VAL 124          HG11      VAL 124   8.504   2.948   2.948
  918   2HG1  VAL 124          HG13      VAL 124   6.964   3.799   3.799
  919   3HG1  VAL 124          HG12      VAL 124   7.332   2.841   2.841
  920   1HG2  VAL 124          HG23      VAL 124   7.571   6.588   6.588
  921   2HG2  VAL 124          HG22      VAL 124   7.265   5.256   5.256
  922   3HG2  VAL 124          HG21      VAL 124   6.352   5.373   5.373
  923    H    VAL 125           HN       VAL 125  11.215   4.766   4.766
  924    HA   VAL 125           HA       VAL 125  12.074   2.652   2.652
  925    HB   VAL 125           HB       VAL 125  14.163   2.802   2.802
  926   1HG1  VAL 125          HG21      VAL 125  11.868   2.795   2.795
  927   2HG1  VAL 125          HG23      VAL 125  12.679   4.182   4.182
  928   3HG1  VAL 125          HG22      VAL 125  13.464   2.603   2.603
  929   1HG2  VAL 125          HG13      VAL 125  13.567   5.713   5.713
  930   2HG2  VAL 125          HG12      VAL 125  14.775   5.055   5.055
  931   3HG2  VAL 125          HG11      VAL 125  14.962   4.842   4.842
  932    H    SER 126           HN       SER 126  12.987   6.075   6.075
  933    HA   SER 126           HA       SER 126  14.711   5.683   5.683
  934   1HB   SER 126           HB1      SER 126  15.201   7.604   7.604
  935   2HB   SER 126           HB2      SER 126  13.507   8.091   8.091
  936    HG   SER 126           HG       SER 126  13.597   8.850   8.850
  937    H    PHE 127           HN       PHE 127  11.337   6.460   6.460
  938    HA   PHE 127           HA       PHE 127  10.893   7.168   7.168
  939   1HB   PHE 127           HB1      PHE 127   9.399   8.003   8.003
  940   2HB   PHE 127           HB2      PHE 127   8.964   6.361   6.361
  941    HD1  PHE 127           HD2      PHE 127   9.093   8.341   8.341
  942    HD2  PHE 127           HD1      PHE 127   6.877   5.704   5.704
  943    HE1  PHE 127           HE2      PHE 127   7.226   8.383   8.383
  944    HE2  PHE 127           HE1      PHE 127   5.006   5.742   5.742
  945    HZ   PHE 127           HZ       PHE 127   5.179   7.083   7.083
  946    H    LEU 128           HN       LEU 128  10.538   4.220   4.220
  947    HA   LEU 128           HA       LEU 128   9.270   2.687   2.687
  948   1HB   LEU 128           HB1      LEU 128  10.387   2.246   2.246
  949   2HB   LEU 128           HB2      LEU 128  10.676   0.890   0.890
  950    HG   LEU 128           HG       LEU 128   7.913   1.954   1.954
  951   1HD1  LEU 128          HD22      LEU 128   9.263   1.360   1.360
  952   2HD1  LEU 128          HD21      LEU 128   8.107   0.067   0.067
  953   3HD1  LEU 128          HD23      LEU 128   7.560   1.742   1.742
  954   1HD2  LEU 128          HD13      LEU 128   9.232  -0.298  -0.298
  955   2HD2  LEU 128          HD12      LEU 128   7.490  -0.023  -0.023
  956   3HD2  LEU 128          HD11      LEU 128   8.287  -0.876  -0.876
  957    H    ALA 129           HN       ALA 129  12.562   3.566   3.566
  958    HA   ALA 129           HA       ALA 129  13.936   1.522   1.522
  959   1HB   ALA 129           HB1      ALA 129  14.580   3.989   3.989
  960   2HB   ALA 129           HB3      ALA 129  15.153   4.078   4.078
  961   3HB   ALA 129           HB2      ALA 129  15.698   2.770   2.770
  962    HA   PRO 130           HA       PRO 130  13.687   4.001   4.001
  963   1HB   PRO 130           HB2      PRO 130  12.012   6.147   6.147
  964   2HB   PRO 130           HB1      PRO 130  13.718   6.264   6.264
  965   1HG   PRO 130           HG2      PRO 130  11.298   6.147   6.147
  966   2HG   PRO 130           HG1      PRO 130  12.734   7.180   7.180
  967   1HD   PRO 130           HD1      PRO 130  12.402   4.959   4.959
  968   2HD   PRO 130           HD2      PRO 130  14.001   5.505   5.505
  969    H    GLU 131           HN       GLU 131  10.573   4.360   4.360
  970    HA   GLU 131           HA       GLU 131   8.914   3.753   3.753
  971   1HB   GLU 131           HB1      GLU 131   8.440   3.235   3.235
  972   2HB   GLU 131           HB2      GLU 131   7.197   3.221   3.221
  973   1HG   GLU 131           HG2      GLU 131   6.890   5.379   5.379
  974   2HG   GLU 131           HG1      GLU 131   8.522   5.675   5.675
  975    H    SER 132           HN       SER 132  10.743   1.692   1.692
  976    HA   SER 132           HA       SER 132   9.546  -0.687  -0.687
  977   1HB   SER 132           HB1      SER 132  11.353  -0.824  -0.824
  978   2HB   SER 132           HB2      SER 132  10.056  -1.917  -1.917
  979    HG   SER 132           HG       SER 132   8.613  -0.639  -0.639
  980    H    ASP 133           HN       ASP 133  10.948  -2.398  -2.398
  981    HA   ASP 133           HA       ASP 133  12.952  -1.751  -1.751
  982   1HB   ASP 133           HB1      ASP 133  13.871  -4.170  -4.170
  983   2HB   ASP 133           HB2      ASP 133  12.230  -4.214  -4.214
  984    H    LEU 134           HN       LEU 134  14.749  -0.612  -0.612
  985    HA   LEU 134           HA       LEU 134  16.035  -0.546  -0.546
  986   1HB   LEU 134           HB1      LEU 134  16.174   1.007   1.007
  987   2HB   LEU 134           HB2      LEU 134  17.644   0.937   0.937
  988    HG   LEU 134           HG       LEU 134  14.971   2.052   2.052
  989   1HD1  LEU 134          HD11      LEU 134  16.895   3.303   3.303
  990   2HD1  LEU 134          HD13      LEU 134  17.540   3.494   3.494
  991   3HD1  LEU 134          HD12      LEU 134  15.933   4.106   4.106
  992   1HD2  LEU 134          HD21      LEU 134  17.343   1.303   1.303
  993   2HD2  LEU 134          HD23      LEU 134  15.639   0.924   0.924
  994   3HD2  LEU 134          HD22      LEU 134  16.220   2.572   2.572
  995    H    HIS 135           HN       HIS 135  16.169  -3.088  -3.088
  996    HA   HIS 135           HA       HIS 135  18.871  -3.716  -3.716
  997   1HB   HIS 135           HB2      HIS 135  18.225  -2.769  -2.769
  998   2HB   HIS 135           HB1      HIS 135  18.468  -4.508  -4.508
  999    HD2  HIS 135           HD2      HIS 135  20.537  -1.760  -1.760
 1000    HE1  HIS 135           HE1      HIS 135  23.112  -4.182  -4.182
 1001    HE2  HIS 135           HE2      HIS 135  22.995  -2.363  -2.363
 1002    H    HIS 136           HN       HIS 136  16.263  -4.610  -4.610
 1003    HA   HIS 136           HA       HIS 136  16.168  -7.324  -7.324
 1004   1HB   HIS 136           HB1      HIS 136  14.081  -5.845  -5.845
 1005   2HB   HIS 136           HB2      HIS 136  14.065  -6.070  -6.070
 1006    HD2  HIS 136           HD2      HIS 136  12.649  -8.191  -8.191
 1007    HE1  HIS 136           HE1      HIS 136  12.719 -10.303 -10.303
 1008    HE2  HIS 136           HE2      HIS 136  11.691 -10.186 -10.186
 1009    H    ARG 137           HN       ARG 137  15.374  -8.984  -8.984
 1010    HA   ARG 137           HA       ARG 137  16.826  -8.529  -8.529
 1011   1HB   ARG 137           HB1      ARG 137  17.526 -10.345 -10.345
 1012   2HB   ARG 137           HB2      ARG 137  16.766 -11.321 -11.321
 1013   1HG   ARG 137           HG2      ARG 137  18.478 -11.065 -11.065
 1014   2HG   ARG 137           HG1      ARG 137  18.695  -9.363  -9.363
 1015   1HD   ARG 137           HD1      ARG 137  20.516  -9.954  -9.954
 1016   2HD   ARG 137           HD2      ARG 137  19.455 -10.749 -10.749
 1017    HE   ARG 137           HE       ARG 137  20.096 -12.783 -12.783
 1018   1HH1  ARG 137          HH21      ARG 137  21.103 -10.258 -10.258
 1019   2HH1  ARG 137          HH22      ARG 137  22.066 -11.309 -11.309
 1020   1HH2  ARG 137          HH11      ARG 137  21.364 -14.177 -14.177
 1021   2HH2  ARG 137          HH12      ARG 137  22.214 -13.539 -13.539
 1022    H    ASP 138           HN       ASP 138  16.196 -11.145 -11.145
 1023    HA   ASP 138           HA       ASP 138  13.504 -11.816 -11.816
 1024   1HB   ASP 138           HB1      ASP 138  13.207 -10.750 -10.750
 1025   2HB   ASP 138           HB2      ASP 138  12.594 -10.007 -10.007
 1026    H    ALA 139           HN       ALA 139  12.940 -13.382 -13.382
 1027    HA   ALA 139           HA       ALA 139  14.752 -15.272 -15.272
 1028   1HB   ALA 139           HB3      ALA 139  12.431 -14.404 -14.404
 1029   2HB   ALA 139           HB2      ALA 139  13.348 -15.884 -15.884
 1030   3HB   ALA 139           HB1      ALA 139  12.454 -15.673 -15.673
 1031    H    SER 140           HN       SER 140  14.347 -12.256 -12.256
 1032    HA   SER 140           HA       SER 140  15.820 -12.741 -12.741
 1033   1HB   SER 140           HB1      SER 140  15.138 -10.647 -10.647
 1034   2HB   SER 140           HB2      SER 140  14.601 -10.521 -10.521
 1035    HG   SER 140           HG       SER 140  16.109  -8.914  -8.914
 1036    H    GLY 141           HN       GLY 141  16.830 -11.547 -11.547
 1037   1HA   GLY 141           HA2      GLY 141  18.888 -11.869 -11.869
 1038   2HA   GLY 141           HA1      GLY 141  19.503 -12.572 -12.572
 1039    H    LEU 142           HN       LEU 142  17.896  -9.496  -9.496
 1040    HA   LEU 142           HA       LEU 142  20.484  -8.113  -8.113
 1041   1HB   LEU 142           HB1      LEU 142  18.317  -7.260  -7.260
 1042   2HB   LEU 142           HB2      LEU 142  20.055  -7.130  -7.130
 1043    HG   LEU 142           HG       LEU 142  18.915  -9.868  -9.868
 1044   1HD1  LEU 142          HD13      LEU 142  17.965  -7.775  -7.775
 1045   2HD1  LEU 142          HD12      LEU 142  18.797  -9.039  -9.039
 1046   3HD1  LEU 142          HD11      LEU 142  17.438  -9.453  -9.453
 1047   1HD2  LEU 142          HD22      LEU 142  21.335  -8.548  -8.548
 1048   2HD2  LEU 142          HD21      LEU 142  20.968 -10.273 -10.273
 1049   3HD2  LEU 142          HD23      LEU 142  20.660  -9.278  -9.278
 1050    H    THR 143           HN       THR 143  19.933  -7.442  -7.442
 1051    HA   THR 143           HA       THR 143  17.715  -6.188  -6.188
 1052    HB   THR 143           HB       THR 143  19.023  -5.262  -5.262
 1053    HG1  THR 143           HG1      THR 143  21.285  -4.711  -4.711
 1054   1HG2  THR 143          HG23      THR 143  19.731  -7.763  -7.763
 1055   2HG2  THR 143          HG22      THR 143  21.291  -6.941  -6.941
 1056   3HG2  THR 143          HG21      THR 143  20.326  -6.933  -6.933
 1057    HA   PRO 144           HA       PRO 144  16.715  -2.291  -2.291
 1058   1HB   PRO 144           HB1      PRO 144  17.989  -0.948  -0.948
 1059   2HB   PRO 144           HB2      PRO 144  16.432  -0.619  -0.619
 1060   1HG   PRO 144           HG1      PRO 144  16.535  -2.006  -2.006
 1061   2HG   PRO 144           HG2      PRO 144  15.413  -2.471  -2.471
 1062   1HD   PRO 144           HD2      PRO 144  17.951  -3.762  -3.762
 1063   2HD   PRO 144           HD1      PRO 144  16.494  -4.492  -4.492
 1064    H    LEU 145           HN       LEU 145  19.903  -2.181  -2.181
 1065    HA   LEU 145           HA       LEU 145  20.967  -0.274  -0.274
 1066   1HB   LEU 145           HB1      LEU 145  21.726  -0.862  -0.862
 1067   2HB   LEU 145           HB2      LEU 145  22.661  -2.123  -2.123
 1068    HG   LEU 145           HG       LEU 145  23.049   0.817   0.817
 1069   1HD1  LEU 145          HD12      LEU 145  24.892  -1.566  -1.566
 1070   2HD1  LEU 145          HD11      LEU 145  25.412   0.118   0.118
 1071   3HD1  LEU 145          HD13      LEU 145  24.468  -0.574  -0.574
 1072   1HD2  LEU 145          HD22      LEU 145  22.614   0.150   0.150
 1073   2HD2  LEU 145          HD21      LEU 145  24.189   0.877   0.877
 1074   3HD2  LEU 145          HD23      LEU 145  24.050  -0.869  -0.869
 1075    H    GLU 146           HN       GLU 146  21.195  -3.779  -3.779
 1076    HA   GLU 146           HA       GLU 146  23.069  -4.363  -4.363
 1077   1HB   GLU 146           HB1      GLU 146  21.218  -5.812  -5.812
 1078   2HB   GLU 146           HB2      GLU 146  20.938  -6.296  -6.296
 1079   1HG   GLU 146           HG2      GLU 146  22.596  -7.741  -7.741
 1080   2HG   GLU 146           HG1      GLU 146  23.672  -6.349  -6.349
 1081    H    LEU 147           HN       LEU 147  19.532  -4.565  -4.565
 1082    HA   LEU 147           HA       LEU 147  19.572  -4.790  -4.790
 1083   1HB   LEU 147           HB2      LEU 147  17.621  -4.580  -4.580
 1084   2HB   LEU 147           HB1      LEU 147  17.386  -3.121  -3.121
 1085    HG   LEU 147           HG       LEU 147  17.210  -5.976  -5.976
 1086   1HD1  LEU 147          HD11      LEU 147  15.326  -4.172  -4.172
 1087   2HD1  LEU 147          HD13      LEU 147  15.089  -4.185  -4.185
 1088   3HD1  LEU 147          HD12      LEU 147  15.015  -5.693  -5.693
 1089   1HD2  LEU 147          HD22      LEU 147  18.444  -4.241  -4.241
 1090   2HD2  LEU 147          HD21      LEU 147  17.245  -5.348  -5.348
 1091   3HD2  LEU 147          HD23      LEU 147  16.803  -3.677  -3.677
 1092    H    ALA 148           HN       ALA 148  19.822  -1.970  -1.970
 1093    HA   ALA 148           HA       ALA 148  19.485   0.029   0.029
 1094   1HB   ALA 148           HB2      ALA 148  20.246  -0.117  -0.117
 1095   2HB   ALA 148           HB1      ALA 148  21.382   0.929   0.929
 1096   3HB   ALA 148           HB3      ALA 148  19.653   1.271   1.271
 1097    H    ARG 149           HN       ARG 149  22.180  -2.006  -2.006
 1098    HA   ARG 149           HA       ARG 149  24.180  -0.552  -0.552
 1099   1HB   ARG 149           HB1      ARG 149  24.450  -2.355  -2.355
 1100   2HB   ARG 149           HB2      ARG 149  24.323  -3.505  -3.505
 1101   1HG   ARG 149           HG2      ARG 149  26.344  -1.279  -1.279
 1102   2HG   ARG 149           HG1      ARG 149  26.652  -2.925  -2.925
 1103   1HD   ARG 149           HD2      ARG 149  27.289  -3.376  -3.376
 1104   2HD   ARG 149           HD1      ARG 149  25.582  -3.282  -3.282
 1105    HE   ARG 149           HE       ARG 149  26.374  -0.710  -0.710
 1106   1HH1  ARG 149          HH11      ARG 149  27.660  -3.665  -3.665
 1107   2HH1  ARG 149          HH12      ARG 149  28.325  -2.900  -2.900
 1108   1HH2  ARG 149          HH21      ARG 149  27.245   0.308   0.308
 1109   2HH2  ARG 149          HH22      ARG 149  28.089  -0.641  -0.641
 1110    H    GLN 150           HN       GLN 150  22.157  -3.364  -3.364
 1111    HA   GLN 150           HA       GLN 150  23.157  -3.785  -3.785
 1112   1HB   GLN 150           HB1      GLN 150  22.150  -5.687  -5.687
 1113   2HB   GLN 150           HB2      GLN 150  20.839  -4.782  -4.782
 1114   1HG   GLN 150           HG1      GLN 150  19.520  -5.213  -5.213
 1115   2HG   GLN 150           HG2      GLN 150  20.679  -4.506  -4.506
 1116   1HE2  GLN 150          HE22      GLN 150  19.948  -8.248  -8.248
 1117   2HE2  GLN 150          HE21      GLN 150  18.894  -6.979  -6.979
 1118    H    ARG 151           HN       ARG 151  19.727  -3.267  -3.267
 1119    HA   ARG 151           HA       ARG 151  19.557  -1.546  -1.546
 1120   1HB   ARG 151           HB1      ARG 151  17.788  -3.210  -3.210
 1121   2HB   ARG 151           HB2      ARG 151  17.399  -2.128  -2.128
 1122   1HG   ARG 151           HG1      ARG 151  16.142  -0.856  -0.856
 1123   2HG   ARG 151           HG2      ARG 151  17.432  -0.703  -0.703
 1124   1HD   ARG 151           HD1      ARG 151  16.801  -2.929  -2.929
 1125   2HD   ARG 151           HD2      ARG 151  15.443  -2.955  -2.955
 1126    HE   ARG 151           HE       ARG 151  14.348  -1.391  -1.391
 1127   1HH1  ARG 151          HH21      ARG 151  17.601  -1.881  -1.881
 1128   2HH1  ARG 151          HH22      ARG 151  17.339  -1.048  -1.048
 1129   1HH2  ARG 151          HH11      ARG 151  13.992  -0.291  -0.291
 1130   2HH2  ARG 151          HH12      ARG 151  15.288  -0.144  -0.144
 1131    H    GLY 152           HN       GLY 152  21.282  -0.274  -0.274
 1132   1HA   GLY 152           HA1      GLY 152  20.252   1.432   1.432
 1133   2HA   GLY 152           HA2      GLY 152  21.730   1.703   1.703
 1134    H    ALA 153           HN       ALA 153  19.627   1.473   1.473
 1135    HA   ALA 153           HA       ALA 153  18.774   3.042   3.042
 1136   1HB   ALA 153           HB2      ALA 153  17.540   3.895   3.895
 1137   2HB   ALA 153           HB1      ALA 153  17.028   4.496   4.496
 1138   3HB   ALA 153           HB3      ALA 153  16.867   2.783   2.783
 1139    H    GLN 154           HN       GLN 154  18.798   5.250   5.250
 1140    HA   GLN 154           HA       GLN 154  20.920   6.848   6.848
 1141   1HB   GLN 154           HB2      GLN 154  18.837   8.287   8.287
 1142   2HB   GLN 154           HB1      GLN 154  19.649   8.747   8.747
 1143   1HG   GLN 154           HG1      GLN 154  17.512   8.431   8.431
 1144   2HG   GLN 154           HG2      GLN 154  18.196   6.832   6.832
 1145   1HE2  GLN 154          HE22      GLN 154  16.495   6.151   6.151
 1146   2HE2  GLN 154          HE21      GLN 154  18.103   6.704   6.704
 1147    H    ASN 155           HN       ASN 155  20.227   8.719   8.719
 1148    HA   ASN 155           HA       ASN 155  22.245   7.623   7.623
 1149   1HB   ASN 155           HB2      ASN 155  21.576   9.585   9.585
 1150   2HB   ASN 155           HB1      ASN 155  22.190   9.983   9.983
 1151   1HD2  ASN 155          HD22      ASN 155  19.464  12.139  12.139
 1152   2HD2  ASN 155          HD21      ASN 155  21.173  11.974  11.974
 1153    H    LEU 156           HN       LEU 156  19.410   6.329   6.329
 1154    HA   LEU 156           HA       LEU 156  17.961   6.354   6.354
 1155   1HB   LEU 156           HB1      LEU 156  16.773   4.723   4.723
 1156   2HB   LEU 156           HB2      LEU 156  17.808   5.009   5.009
 1157    HG   LEU 156           HG       LEU 156  19.326   3.184   3.184
 1158   1HD1  LEU 156          HD22      LEU 156  16.890   2.970   2.970
 1159   2HD1  LEU 156          HD21      LEU 156  17.747   1.500   1.500
 1160   3HD1  LEU 156          HD23      LEU 156  18.587   2.765   2.765
 1161   1HD2  LEU 156          HD11      LEU 156  17.281   3.154   3.154
 1162   2HD2  LEU 156          HD13      LEU 156  18.452   1.864   1.864
 1163   3HD2  LEU 156          HD12      LEU 156  16.883   1.806   1.806
 1164    H    MET 157           HN       MET 157  20.762   4.304   4.304
 1165    HA   MET 157           HA       MET 157  20.749   2.768   2.768
 1166   1HB   MET 157           HB1      MET 157  22.843   2.043   2.043
 1167   2HB   MET 157           HB2      MET 157  22.207   2.628   2.628
 1168   1HG   MET 157           HG2      MET 157  23.566   4.498   4.498
 1169   2HG   MET 157           HG1      MET 157  23.851   4.422   4.422
 1170   1HE   MET 157           HE2      MET 157  24.581   2.022   2.022
 1171   2HE   MET 157           HE1      MET 157  24.616   0.790   0.790
 1172   3HE   MET 157           HE3      MET 157  26.121   1.347   1.347
 1173    H    ASP 158           HN       ASP 158  21.802   6.036   6.036
 1174    HA   ASP 158           HA       ASP 158  23.295   6.302   6.302
 1175   1HB   ASP 158           HB1      ASP 158  22.080   8.449   8.449
 1176   2HB   ASP 158           HB2      ASP 158  23.681   7.748   7.748
 1177    H    ILE 159           HN       ILE 159  20.040   7.284   7.284
 1178    HA   ILE 159           HA       ILE 159  19.225   8.607   8.607
 1179    HB   ILE 159           HB       ILE 159  17.089   6.899   6.899
 1180   1HG1  ILE 159          HG12      ILE 159  18.535   8.690   8.690
 1181   2HG1  ILE 159          HG11      ILE 159  18.464   6.934   6.934
 1182   1HG2  ILE 159          HG21      ILE 159  17.608   9.837   9.837
 1183   2HG2  ILE 159          HG23      ILE 159  16.140   9.211   9.211
 1184   3HG2  ILE 159          HG22      ILE 159  16.508   8.818   8.818
 1185   1HD1  ILE 159          HD11      ILE 159  16.038   7.056   7.056
 1186   2HD1  ILE 159          HD13      ILE 159  16.141   8.816   8.816
 1187   3HD1  ILE 159          HD12      ILE 159  16.920   7.895   7.895
 1188    H    LEU 160           HN       LEU 160  18.960   5.129   5.129
 1189    HA   LEU 160           HA       LEU 160  17.884   4.504   4.504
 1190   1HB   LEU 160           HB2      LEU 160  19.154   2.720   2.720
 1191   2HB   LEU 160           HB1      LEU 160  18.294   2.155   2.155
 1192    HG   LEU 160           HG       LEU 160  16.308   3.545   3.545
 1193   1HD1  LEU 160          HD23      LEU 160  18.137   3.240   3.240
 1194   2HD1  LEU 160          HD22      LEU 160  16.391   3.426   3.426
 1195   3HD1  LEU 160          HD21      LEU 160  17.343   4.699   4.699
 1196   1HD2  LEU 160          HD12      LEU 160  17.318   0.868   0.868
 1197   2HD2  LEU 160          HD11      LEU 160  15.927   1.284   1.284
 1198   3HD2  LEU 160          HD13      LEU 160  15.859   1.520   1.520
 1199    H    GLN 161           HN       GLN 161  21.074   4.825   4.825
 1200    HA   GLN 161           HA       GLN 161  22.504   3.297   3.297
 1201   1HB   GLN 161           HB2      GLN 161  23.105   5.002   5.002
 1202   2HB   GLN 161           HB1      GLN 161  24.085   5.504   5.504
 1203   1HG   GLN 161           HG1      GLN 161  24.234   2.717   2.717
 1204   2HG   GLN 161           HG2      GLN 161  24.384   3.231   3.231
 1205   1HE2  GLN 161          HE22      GLN 161  27.628   3.243   3.243
 1206   2HE2  GLN 161          HE21      GLN 161  26.278   2.169   2.169
 1207    H    GLY 162           HN       GLY 162  22.278   6.856   6.856
 1208   1HA   GLY 162           HA2      GLY 162  23.345   7.312   7.312
 1209   2HA   GLY 162           HA1      GLY 162  22.390   8.461   8.461
 1210    H    HIS 163           HN       HIS 163  20.064   6.680   6.680
 1211    HA   HIS 163           HA       HIS 163  18.757   7.544   7.544
 1212   1HB   HIS 163           HB1      HIS 163  18.046   6.164   6.164
 1213   2HB   HIS 163           HB2      HIS 163  17.197   5.491   5.491
 1214    HD2  HIS 163           HD2      HIS 163  16.517   8.016   8.016
 1215    HE1  HIS 163           HE1      HIS 163  14.775   9.575   9.575
 1216    HE2  HIS 163           HE2      HIS 163  15.026   9.878   9.878
 1217    H    MET 164           HN       MET 164  20.117   4.439   4.439
 1218    HA   MET 164           HA       MET 164  19.129   2.922   2.922
 1219   1HB   MET 164           HB2      MET 164  20.377   1.196   1.196
 1220   2HB   MET 164           HB1      MET 164  20.349   2.238   2.238
 1221   1HG   MET 164           HG1      MET 164  22.557   3.171   3.171
 1222   2HG   MET 164           HG2      MET 164  22.580   1.508   1.508
 1223   1HE   MET 164           HE2      MET 164  22.511  -0.562  -0.562
 1224   2HE   MET 164           HE1      MET 164  21.229  -0.054  -0.054
 1225   3HE   MET 164           HE3      MET 164  22.783  -0.586  -0.586
 1226    H    MET 165           HN       MET 165  21.102   1.711   1.711
 1227    HA   MET 165           HA       MET 165  22.482   3.888   3.888
 1228   1HB   MET 165           HB2      MET 165  22.323   2.317   2.317
 1229   2HB   MET 165           HB1      MET 165  20.833   3.095   3.095
 1230   1HG   MET 165           HG2      MET 165  19.857   1.156   1.156
 1231   2HG   MET 165           HG1      MET 165  21.318   0.504   0.504
 1232   1HE   MET 165           HE3      MET 165  20.867   2.134   2.134
 1233   2HE   MET 165           HE2      MET 165  20.783   0.870   0.870
 1234   3HE   MET 165           HE1      MET 165  22.348   1.379   1.379
 1235    H    ILE 166           HN       ILE 166  24.437   3.699   3.699
 1236    HA   ILE 166           HA       ILE 166  26.082   1.468   1.468
 1237    HB   ILE 166           HB       ILE 166  25.559   2.023   2.023
 1238   1HG1  ILE 166          HG11      ILE 166  25.231  -0.388  -0.388
 1239   2HG1  ILE 166          HG12      ILE 166  23.985   0.464   0.464
 1240   1HG2  ILE 166          HG21      ILE 166  27.985   1.841   1.841
 1241   2HG2  ILE 166          HG23      ILE 166  27.696   0.243   0.243
 1242   3HG2  ILE 166          HG22      ILE 166  27.371   0.537   0.537
 1243   1HD1  ILE 166          HD13      ILE 166  26.246  -0.965  -0.965
 1244   2HD1  ILE 166          HD12      ILE 166  24.736  -1.766  -1.766
 1245   3HD1  ILE 166          HD11      ILE 166  24.721  -0.416  -0.416
 1246    HA   PRO 167           HA       PRO 167  28.456   5.371   5.371
 1247   1HB   PRO 167           HB2      PRO 167  29.689   5.046   5.046
 1248   2HB   PRO 167           HB1      PRO 167  28.007   5.580   5.580
 1249   1HG   PRO 167           HG2      PRO 167  29.100   2.855   2.855
 1250   2HG   PRO 167           HG1      PRO 167  27.762   3.715   3.715
 1251   1HD   PRO 167           HD2      PRO 167  27.431   1.794   1.794
 1252   2HD   PRO 167           HD1      PRO 167  26.260   3.084   3.084
 1253    H    MET 168           HN       MET 168  29.692   4.522   4.522
 1254    HA   MET 168           HA       MET 168  32.258   3.390   3.390
 1255   1HB   MET 168           HB2      MET 168  30.537   2.409   2.409
 1256   2HB   MET 168           HB1      MET 168  32.251   2.037   2.037
 1257   1HG   MET 168           HG2      MET 168  31.542   1.225   1.225
 1258   2HG   MET 168           HG1      MET 168  29.970   1.060   1.060
 1259   1HE   MET 168           HE1      MET 168  29.578  -0.089  -0.089
 1260   2HE   MET 168           HE3      MET 168  31.025  -0.004  -0.004
 1261   3HE   MET 168           HE2      MET 168  30.390  -1.571  -1.571

  Start of MODEL    7
    1   1H    GLY   1           HT1      GLY   1 -21.330 -18.653 -18.653
    2   2H    GLY   1           HT3      GLY   1 -21.951 -17.505 -17.505
    3   3H    GLY   1           HT2      GLY   1 -20.354 -17.378 -17.378
    4   1HA   GLY   1           HA1      GLY   1 -20.934 -16.595 -16.595
    5   2HA   GLY   1           HA2      GLY   1 -22.187 -15.891 -15.891
    6    H    SER   2           HN       SER   2 -23.730 -18.211 -18.211
    7    HA   SER   2           HA       SER   2 -25.474 -19.349 -19.349
    8   1HB   SER   2           HB1      SER   2 -23.187 -19.900 -19.900
    9   2HB   SER   2           HB2      SER   2 -24.678 -19.927 -19.927
   10    HG   SER   2           HG       SER   2 -23.841 -21.594 -21.594
   11    H    MET   3           HN       MET   3 -27.199 -18.091 -18.091
   12    HA   MET   3           HA       MET   3 -27.258 -15.868 -15.868
   13   1HB   MET   3           HB2      MET   3 -29.121 -17.204 -17.204
   14   2HB   MET   3           HB1      MET   3 -29.893 -16.426 -16.426
   15   1HG   MET   3           HG2      MET   3 -29.873 -14.626 -14.626
   16   2HG   MET   3           HG1      MET   3 -28.208 -14.472 -14.472
   17   1HE   MET   3           HE1      MET   3 -28.255 -12.875 -12.875
   18   2HE   MET   3           HE3      MET   3 -26.638 -13.553 -13.553
   19   3HE   MET   3           HE2      MET   3 -27.691 -13.369 -13.369
   20    H    LEU   4           HN       LEU   4 -26.858 -16.397 -16.397
   21    HA   LEU   4           HA       LEU   4 -28.998 -17.395 -17.395
   22   1HB   LEU   4           HB1      LEU   4 -27.611 -19.439 -19.439
   23   2HB   LEU   4           HB2      LEU   4 -26.694 -19.206 -19.206
   24    HG   LEU   4           HG       LEU   4 -29.596 -19.303 -19.303
   25   1HD1  LEU   4          HD13      LEU   4 -29.399 -20.898 -20.898
   26   2HD1  LEU   4          HD12      LEU   4 -28.158 -21.773 -21.773
   27   3HD1  LEU   4          HD11      LEU   4 -29.806 -21.696 -21.696
   28   1HD2  LEU   4          HD21      LEU   4 -27.185 -20.636 -20.636
   29   2HD2  LEU   4          HD23      LEU   4 -28.143 -19.316 -19.316
   30   3HD2  LEU   4          HD22      LEU   4 -28.838 -20.931 -20.931
   31    H    LEU   5           HN       LEU   5 -25.437 -17.209 -17.209
   32    HA   LEU   5           HA       LEU   5 -25.603 -15.852 -15.852
   33   1HB   LEU   5           HB2      LEU   5 -24.235 -18.090 -18.090
   34   2HB   LEU   5           HB1      LEU   5 -23.021 -16.930 -16.930
   35    HG   LEU   5           HG       LEU   5 -23.633 -15.868 -15.868
   36   1HD1  LEU   5          HD23      LEU   5 -25.217 -18.025 -18.025
   37   2HD1  LEU   5          HD22      LEU   5 -23.729 -18.707 -18.707
   38   3HD1  LEU   5          HD21      LEU   5 -24.456 -17.286 -17.286
   39   1HD2  LEU   5          HD11      LEU   5 -21.535 -17.359 -17.359
   40   2HD2  LEU   5          HD13      LEU   5 -21.487 -16.326 -16.326
   41   3HD2  LEU   5          HD12      LEU   5 -21.835 -18.047 -18.047
   42    H    GLU   6           HN       GLU   6 -25.579 -13.717 -13.717
   43    HA   GLU   6           HA       GLU   6 -23.505 -12.623 -12.623
   44   1HB   GLU   6           HB2      GLU   6 -26.161 -12.412 -12.412
   45   2HB   GLU   6           HB1      GLU   6 -25.908 -10.969 -10.969
   46   1HG   GLU   6           HG2      GLU   6 -23.807 -10.905 -10.905
   47   2HG   GLU   6           HG1      GLU   6 -25.141 -11.533 -11.533
   48    H    GLU   7           HN       GLU   7 -22.429 -12.847 -12.847
   49    HA   GLU   7           HA       GLU   7 -23.149 -10.867 -10.867
   50   1HB   GLU   7           HB1      GLU   7 -20.992 -11.612 -11.612
   51   2HB   GLU   7           HB2      GLU   7 -22.201 -12.867 -12.867
   52   1HG   GLU   7           HG1      GLU   7 -20.942 -14.004 -14.004
   53   2HG   GLU   7           HG2      GLU   7 -20.230 -12.543 -12.543
   54    H    VAL   8           HN       VAL   8 -22.933  -9.358  -9.358
   55    HA   VAL   8           HA       VAL   8 -20.468  -7.859  -7.859
   56    HB   VAL   8           HB       VAL   8 -20.008  -7.531  -7.531
   57   1HG1  VAL   8          HG21      VAL   8 -20.336 -10.424 -10.424
   58   2HG1  VAL   8          HG23      VAL   8 -19.472  -9.890  -9.890
   59   3HG1  VAL   8          HG22      VAL   8 -18.896  -9.417  -9.417
   60   1HG2  VAL   8          HG11      VAL   8 -22.674  -8.667  -8.667
   61   2HG2  VAL   8          HG13      VAL   8 -21.760  -7.599  -7.599
   62   3HG2  VAL   8          HG12      VAL   8 -21.490  -9.340  -9.340
   63    H    CYS   9           HN       CYS   9 -23.574  -7.755  -7.755
   64    HA   CYS   9           HA       CYS   9 -24.668  -5.740  -5.740
   65   1HB   CYS   9           HB2      CYS   9 -25.149  -5.986  -5.986
   66   2HB   CYS   9           HB1      CYS   9 -26.271  -5.424  -5.424
   67    HG   CYS   9           HG       CYS   9 -26.502  -8.043  -8.043
   68    H    VAL  10           HN       VAL  10 -23.388  -4.039  -4.039
   69    HA   VAL  10           HA       VAL  10 -22.819  -1.813  -1.813
   70    HB   VAL  10           HB       VAL  10 -23.982  -2.181  -2.181
   71   1HG1  VAL  10          HG11      VAL  10 -21.537  -3.077  -3.077
   72   2HG1  VAL  10          HG13      VAL  10 -21.352  -1.362  -1.362
   73   3HG1  VAL  10          HG12      VAL  10 -22.641  -2.295  -2.295
   74   1HG2  VAL  10          HG22      VAL  10 -22.168   0.076   0.076
   75   2HG2  VAL  10          HG21      VAL  10 -23.905  -0.067  -0.067
   76   3HG2  VAL  10          HG23      VAL  10 -23.284   0.157   0.157
   77    H    GLY  11           HN       GLY  11 -21.232  -4.641  -4.641
   78   1HA   GLY  11           HA2      GLY  11 -18.741  -3.912  -3.912
   79   2HA   GLY  11           HA1      GLY  11 -19.026  -5.252  -5.252
   80    H    ASP  12           HN       ASP  12 -19.878  -3.902  -3.902
   81    HA   ASP  12           HA       ASP  12 -17.352  -2.842  -2.842
   82   1HB   ASP  12           HB2      ASP  12 -18.183  -3.146  -3.146
   83   2HB   ASP  12           HB1      ASP  12 -18.863  -4.488  -4.488
   84    H    ARG  13           HN       ARG  13 -19.720  -1.459  -1.459
   85    HA   ARG  13           HA       ARG  13 -20.226   0.886   0.886
   86   1HB   ARG  13           HB2      ARG  13 -21.864   0.025   0.025
   87   2HB   ARG  13           HB1      ARG  13 -20.735   0.393   0.393
   88   1HG   ARG  13           HG1      ARG  13 -21.904   2.300   2.300
   89   2HG   ARG  13           HG2      ARG  13 -20.882   2.798   2.798
   90   1HD   ARG  13           HD1      ARG  13 -22.786   3.187   3.187
   91   2HD   ARG  13           HD2      ARG  13 -22.914   1.435   1.435
   92    HE   ARG  13           HE       ARG  13 -24.058   1.934   1.934
   93   1HH1  ARG  13          HH11      ARG  13 -24.532   3.231   3.231
   94   2HH1  ARG  13          HH12      ARG  13 -26.213   3.569   3.569
   95   1HH2  ARG  13          HH21      ARG  13 -26.271   2.375   2.375
   96   2HH2  ARG  13          HH22      ARG  13 -27.202   3.083   3.083
   97    H    LEU  14           HN       LEU  14 -18.631   0.442   0.442
   98    HA   LEU  14           HA       LEU  14 -17.351   2.983   2.983
   99   1HB   LEU  14           HB1      LEU  14 -17.901   1.910   1.910
  100   2HB   LEU  14           HB2      LEU  14 -16.817   0.583   0.583
  101    HG   LEU  14           HG       LEU  14 -16.022   2.421   2.421
  102   1HD1  LEU  14          HD12      LEU  14 -14.709   0.681   0.681
  103   2HD1  LEU  14          HD11      LEU  14 -13.908   2.225   2.225
  104   3HD1  LEU  14          HD13      LEU  14 -13.994   1.567   1.567
  105   1HD2  LEU  14          HD21      LEU  14 -16.729   4.151   4.151
  106   2HD2  LEU  14          HD23      LEU  14 -15.388   4.461   4.461
  107   3HD2  LEU  14          HD22      LEU  14 -15.070   3.868   3.868
  108    H    SER  15           HN       SER  15 -16.434  -0.280  -0.280
  109    HA   SER  15           HA       SER  15 -13.655   0.195   0.195
  110   1HB   SER  15           HB2      SER  15 -14.387  -2.073  -2.073
  111   2HB   SER  15           HB1      SER  15 -15.484  -1.908  -1.908
  112    HG   SER  15           HG       SER  15 -13.272  -2.943  -2.943
  113    H    GLY  16           HN       GLY  16 -16.309   0.091   0.091
  114   1HA   GLY  16           HA1      GLY  16 -14.801   0.653   0.653
  115   2HA   GLY  16           HA2      GLY  16 -16.504   1.039   1.039
  116    H    ALA  17           HN       ALA  17 -15.867   2.761   2.761
  117    HA   ALA  17           HA       ALA  17 -15.544   5.204   5.204
  118   1HB   ALA  17           HB2      ALA  17 -16.924   4.823   4.823
  119   2HB   ALA  17           HB1      ALA  17 -15.400   4.917   4.917
  120   3HB   ALA  17           HB3      ALA  17 -15.958   6.296   6.296
  121    H    ALA  18           HN       ALA  18 -13.657   3.991   3.991
  122    HA   ALA  18           HA       ALA  18 -11.488   5.685   5.685
  123   1HB   ALA  18           HB3      ALA  18 -12.158   3.501   3.501
  124   2HB   ALA  18           HB2      ALA  18 -10.597   3.106   3.106
  125   3HB   ALA  18           HB1      ALA  18 -10.794   4.602   4.602
  126    H    ALA  19           HN       ALA  19 -11.764   2.342   2.342
  127    HA   ALA  19           HA       ALA  19  -9.336   2.183   2.183
  128   1HB   ALA  19           HB3      ALA  19 -11.078   0.361   0.361
  129   2HB   ALA  19           HB2      ALA  19 -11.837   0.930   0.930
  130   3HB   ALA  19           HB1      ALA  19 -10.186   0.311   0.311
  131    H    ARG  20           HN       ARG  20 -12.266   3.819   3.819
  132    HA   ARG  20           HA       ARG  20 -11.550   4.182   4.182
  133   1HB   ARG  20           HB2      ARG  20 -13.737   5.017   5.017
  134   2HB   ARG  20           HB1      ARG  20 -13.342   6.183   6.183
  135   1HG   ARG  20           HG2      ARG  20 -13.486   4.195   4.195
  136   2HG   ARG  20           HG1      ARG  20 -14.309   3.364   3.364
  137   1HD   ARG  20           HD1      ARG  20 -15.850   5.391   5.391
  138   2HD   ARG  20           HD2      ARG  20 -15.158   5.848   5.848
  139    HE   ARG  20           HE       ARG  20 -16.134   3.151   3.151
  140   1HH1  ARG  20          HH11      ARG  20 -17.018   6.489   6.489
  141   2HH1  ARG  20          HH12      ARG  20 -18.405   6.120   6.120
  142   1HH2  ARG  20          HH21      ARG  20 -17.958   2.656   2.656
  143   2HH2  ARG  20          HH22      ARG  20 -18.940   3.941   3.941
  144    H    GLY  21           HN       GLY  21 -11.183   6.048   6.048
  145   1HA   GLY  21           HA1      GLY  21  -9.422   7.568   7.568
  146   2HA   GLY  21           HA2      GLY  21  -9.185   7.702   7.702
  147    H    ASP  22           HN       ASP  22 -11.656   8.410   8.410
  148    HA   ASP  22           HA       ASP  22 -11.973  11.069  11.069
  149   1HB   ASP  22           HB1      ASP  22 -13.804   9.117   9.117
  150   2HB   ASP  22           HB2      ASP  22 -14.489   9.844   9.844
  151    H    VAL  23           HN       VAL  23 -11.044  12.121  12.121
  152    HA   VAL  23           HA       VAL  23 -11.329  11.518  11.518
  153    HB   VAL  23           HB       VAL  23  -9.594  13.011  13.011
  154   1HG1  VAL  23          HG13      VAL  23 -11.551  14.120  14.120
  155   2HG1  VAL  23          HG12      VAL  23 -10.914  15.414  15.414
  156   3HG1  VAL  23          HG11      VAL  23  -9.815  14.431  14.431
  157   1HG2  VAL  23          HG21      VAL  23 -10.607  13.446  13.446
  158   2HG2  VAL  23          HG23      VAL  23  -9.959  14.920  14.920
  159   3HG2  VAL  23          HG22      VAL  23 -11.696  14.619  14.619
  160    H    GLN  24           HN       GLN  24 -13.572  12.910  12.910
  161    HA   GLN  24           HA       GLN  24 -15.094  14.395  14.395
  162   1HB   GLN  24           HB1      GLN  24 -15.423  13.584  13.584
  163   2HB   GLN  24           HB2      GLN  24 -16.875  14.023  14.023
  164   1HG   GLN  24           HG2      GLN  24 -16.409  16.110  16.110
  165   2HG   GLN  24           HG1      GLN  24 -15.159  16.055  16.055
  166   1HE2  GLN  24          HE22      GLN  24 -14.205  16.258  16.258
  167   2HE2  GLN  24          HE21      GLN  24 -15.838  16.170  16.170
  168    H    GLU  25           HN       GLU  25 -15.473  11.208  11.208
  169    HA   GLU  25           HA       GLU  25 -17.876  10.583  10.583
  170   1HB   GLU  25           HB1      GLU  25 -15.945   8.747   8.747
  171   2HB   GLU  25           HB2      GLU  25 -17.572   8.324   8.324
  172   1HG   GLU  25           HG2      GLU  25 -16.934   9.165   9.165
  173   2HG   GLU  25           HG1      GLU  25 -18.530   9.346   9.346
  174    H    VAL  26           HN       VAL  26 -14.461   9.972   9.972
  175    HA   VAL  26           HA       VAL  26 -14.614   7.970   7.970
  176    HB   VAL  26           HB       VAL  26 -12.538   9.223   9.223
  177   1HG1  VAL  26          HG11      VAL  26 -13.015  11.380  11.380
  178   2HG1  VAL  26          HG13      VAL  26 -12.835  10.634  10.634
  179   3HG1  VAL  26          HG12      VAL  26 -11.452  10.735  10.735
  180   1HG2  VAL  26          HG21      VAL  26 -12.952   7.485   7.485
  181   2HG2  VAL  26          HG23      VAL  26 -11.606   7.535   7.535
  182   3HG2  VAL  26          HG22      VAL  26 -11.570   8.535   8.535
  183    H    ARG  27           HN       ARG  27 -14.814  11.479  11.479
  184    HA   ARG  27           HA       ARG  27 -15.276  11.202  11.202
  185   1HB   ARG  27           HB2      ARG  27 -16.188  13.699  13.699
  186   2HB   ARG  27           HB1      ARG  27 -15.080  13.450  13.450
  187   1HG   ARG  27           HG1      ARG  27 -13.334  12.812  12.812
  188   2HG   ARG  27           HG2      ARG  27 -14.457  13.315  13.315
  189   1HD   ARG  27           HD2      ARG  27 -12.914  14.941  14.941
  190   2HD   ARG  27           HD1      ARG  27 -13.335  15.272  15.272
  191    HE   ARG  27           HE       ARG  27 -15.318  16.238  16.238
  192   1HH1  ARG  27          HH21      ARG  27 -13.668  14.749  14.749
  193   2HH1  ARG  27          HH22      ARG  27 -14.663  15.505  15.505
  194   1HH2  ARG  27          HH11      ARG  27 -16.634  17.236  17.236
  195   2HH2  ARG  27          HH12      ARG  27 -16.350  16.918  16.918
  196    H    ARG  28           HN       ARG  28 -17.372  12.262  12.262
  197    HA   ARG  28           HA       ARG  28 -19.740  12.500  12.500
  198   1HB   ARG  28           HB2      ARG  28 -19.553  13.261  13.261
  199   2HB   ARG  28           HB1      ARG  28 -19.286  11.620  11.620
  200   1HG   ARG  28           HG2      ARG  28 -21.811  12.301  12.301
  201   2HG   ARG  28           HG1      ARG  28 -21.619  12.717  12.717
  202   1HD   ARG  28           HD1      ARG  28 -20.822  10.204  10.204
  203   2HD   ARG  28           HD2      ARG  28 -21.803  10.048  10.048
  204    HE   ARG  28           HE       ARG  28 -23.628  10.088  10.088
  205   1HH1  ARG  28          HH21      ARG  28 -21.065  11.824  11.824
  206   2HH1  ARG  28          HH22      ARG  28 -21.994  12.152  12.152
  207   1HH2  ARG  28          HH11      ARG  28 -24.862  10.510  10.510
  208   2HH2  ARG  28          HH12      ARG  28 -24.155  11.407  11.407
  209    H    LEU  29           HN       LEU  29 -18.479   9.605   9.605
  210    HA   LEU  29           HA       LEU  29 -20.599   7.893   7.893
  211   1HB   LEU  29           HB2      LEU  29 -17.638   7.399   7.399
  212   2HB   LEU  29           HB1      LEU  29 -18.781   6.085   6.085
  213    HG   LEU  29           HG       LEU  29 -18.906   8.015   8.015
  214   1HD1  LEU  29          HD13      LEU  29 -17.515   5.348   5.348
  215   2HD1  LEU  29          HD12      LEU  29 -17.830   6.230   6.230
  216   3HD1  LEU  29          HD11      LEU  29 -16.761   6.919   6.919
  217   1HD2  LEU  29          HD23      LEU  29 -20.176   5.352   5.352
  218   2HD2  LEU  29          HD22      LEU  29 -20.975   6.901   6.901
  219   3HD2  LEU  29          HD21      LEU  29 -20.164   6.089   6.089
  220    H    LEU  30           HN       LEU  30 -17.730   8.261   8.261
  221    HA   LEU  30           HA       LEU  30 -18.839   6.633   6.633
  222   1HB   LEU  30           HB1      LEU  30 -16.503   8.536   8.536
  223   2HB   LEU  30           HB2      LEU  30 -16.890   7.337   7.337
  224    HG   LEU  30           HG       LEU  30 -16.135   6.722   6.722
  225   1HD1  LEU  30          HD12      LEU  30 -14.496   7.520   7.520
  226   2HD1  LEU  30          HD11      LEU  30 -14.346   5.763   5.763
  227   3HD1  LEU  30          HD13      LEU  30 -13.999   6.718   6.718
  228   1HD2  LEU  30          HD21      LEU  30 -17.477   5.172   5.172
  229   2HD2  LEU  30          HD23      LEU  30 -16.873   4.666   4.666
  230   3HD2  LEU  30          HD22      LEU  30 -15.840   4.533   4.533
  231    H    HIS  31           HN       HIS  31 -18.118  10.132  10.132
  232    HA   HIS  31           HA       HIS  31 -19.460  10.644  10.644
  233   1HB   HIS  31           HB1      HIS  31 -18.730  12.813  12.813
  234   2HB   HIS  31           HB2      HIS  31 -17.566  11.983  11.983
  235    HD2  HIS  31           HD2      HIS  31 -17.169  13.371  13.371
  236    HE1  HIS  31           HE1      HIS  31 -21.080  14.935  14.935
  237    HE2  HIS  31           HE2      HIS  31 -18.804  14.709  14.709
  238    H    ARG  32           HN       ARG  32 -20.841   9.739   9.739
  239    HA   ARG  32           HA       ARG  32 -23.325  11.093  11.093
  240   1HB   ARG  32           HB2      ARG  32 -21.775  11.960  11.960
  241   2HB   ARG  32           HB1      ARG  32 -23.092  11.031  11.031
  242   1HG   ARG  32           HG1      ARG  32 -23.869  12.942  12.942
  243   2HG   ARG  32           HG2      ARG  32 -23.242  13.649  13.649
  244   1HD   ARG  32           HD1      ARG  32 -24.899  12.536  12.536
  245   2HD   ARG  32           HD2      ARG  32 -25.427  11.579  11.579
  246    HE   ARG  32           HE       ARG  32 -26.661  13.372  13.372
  247   1HH1  ARG  32          HH11      ARG  32 -24.539  14.381  14.381
  248   2HH1  ARG  32          HH12      ARG  32 -25.275  15.940  15.940
  249   1HH2  ARG  32          HH21      ARG  32 -27.638  15.423  15.423
  250   2HH2  ARG  32          HH22      ARG  32 -27.037  16.533  16.533
  251    H    GLU  33           HN       GLU  33 -22.200   9.131   9.131
  252    HA   GLU  33           HA       GLU  33 -24.498   7.575   7.575
  253   1HB   GLU  33           HB2      GLU  33 -22.474   7.814   7.814
  254   2HB   GLU  33           HB1      GLU  33 -21.791   6.479   6.479
  255   1HG   GLU  33           HG2      GLU  33 -24.545   6.246   6.246
  256   2HG   GLU  33           HG1      GLU  33 -23.147   6.025   6.025
  257    H    LEU  34           HN       LEU  34 -22.043   7.490   7.490
  258    HA   LEU  34           HA       LEU  34 -21.465   6.006   6.006
  259   1HB   LEU  34           HB1      LEU  34 -24.394   6.180   6.180
  260   2HB   LEU  34           HB2      LEU  34 -23.792   4.772   4.772
  261    HG   LEU  34           HG       LEU  34 -23.385   7.675   7.675
  262   1HD1  LEU  34          HD13      LEU  34 -25.367   6.228   6.228
  263   2HD1  LEU  34          HD12      LEU  34 -24.178   5.459   5.459
  264   3HD1  LEU  34          HD11      LEU  34 -24.485   7.190   7.190
  265   1HD2  LEU  34          HD23      LEU  34 -21.688   5.332   5.332
  266   2HD2  LEU  34          HD22      LEU  34 -21.231   7.008   7.008
  267   3HD2  LEU  34          HD21      LEU  34 -21.976   6.566   6.566
  268    H    VAL  35           HN       VAL  35 -20.899   4.934   4.934
  269    HA   VAL  35           HA       VAL  35 -22.028   2.343   2.343
  270    HB   VAL  35           HB       VAL  35 -19.325   3.140   3.140
  271   1HG1  VAL  35          HG13      VAL  35 -20.291   0.844   0.844
  272   2HG1  VAL  35          HG12      VAL  35 -21.546   1.608   1.608
  273   3HG1  VAL  35          HG11      VAL  35 -19.857   1.719   1.719
  274   1HG2  VAL  35          HG22      VAL  35 -21.843   4.501   4.501
  275   2HG2  VAL  35          HG21      VAL  35 -20.203   4.966   4.966
  276   3HG2  VAL  35          HG23      VAL  35 -21.124   3.874   3.874
  277    H    HIS  36           HN       HIS  36 -20.971   0.310   0.310
  278    HA   HIS  36           HA       HIS  36 -19.760  -0.023  -0.023
  279   1HB   HIS  36           HB1      HIS  36 -21.045  -1.697  -1.697
  280   2HB   HIS  36           HB2      HIS  36 -19.391  -2.133  -2.133
  281    HD2  HIS  36           HD2      HIS  36 -20.992  -1.519  -1.519
  282    HE1  HIS  36           HE1      HIS  36 -19.039  -5.271  -5.271
  283    HE2  HIS  36           HE2      HIS  36 -20.473  -3.714  -3.714
  284    HA   PRO  37           HA       PRO  37 -15.526   0.839   0.839
  285   1HB   PRO  37           HB2      PRO  37 -14.374  -0.329  -0.329
  286   2HB   PRO  37           HB1      PRO  37 -15.265   1.195   1.195
  287   1HG   PRO  37           HG2      PRO  37 -16.175  -1.582  -1.582
  288   2HG   PRO  37           HG1      PRO  37 -16.434  -0.077  -0.077
  289   1HD   PRO  37           HD2      PRO  37 -18.330  -1.168  -1.168
  290   2HD   PRO  37           HD1      PRO  37 -18.174   0.584   0.584
  291    H    ASP  38           HN       ASP  38 -16.448  -2.449  -2.449
  292    HA   ASP  38           HA       ASP  38 -14.142  -3.558  -3.558
  293   1HB   ASP  38           HB2      ASP  38 -16.213  -5.333  -5.333
  294   2HB   ASP  38           HB1      ASP  38 -15.285  -4.334  -4.334
  295    H    ALA  39           HN       ALA  39 -16.242  -2.216  -2.216
  296    HA   ALA  39           HA       ALA  39 -17.950  -4.092  -4.092
  297   1HB   ALA  39           HB2      ALA  39 -17.389  -1.302  -1.302
  298   2HB   ALA  39           HB1      ALA  39 -17.400  -2.020  -2.020
  299   3HB   ALA  39           HB3      ALA  39 -18.803  -2.197  -2.197
  300    H    LEU  40           HN       LEU  40 -17.413  -5.721  -5.721
  301    HA   LEU  40           HA       LEU  40 -15.005  -5.462  -5.462
  302   1HB   LEU  40           HB1      LEU  40 -16.085  -8.093  -8.093
  303   2HB   LEU  40           HB2      LEU  40 -14.494  -7.733  -7.733
  304    HG   LEU  40           HG       LEU  40 -14.724  -6.151  -6.151
  305   1HD1  LEU  40          HD13      LEU  40 -16.675  -7.913  -7.913
  306   2HD1  LEU  40          HD12      LEU  40 -15.324  -8.914  -8.914
  307   3HD1  LEU  40          HD11      LEU  40 -15.644  -7.370  -7.370
  308   1HD2  LEU  40          HD21      LEU  40 -13.080  -8.251  -8.251
  309   2HD2  LEU  40          HD23      LEU  40 -12.647  -6.931  -6.931
  310   3HD2  LEU  40          HD22      LEU  40 -13.275  -8.443  -8.443
  311    H    ASN  41           HN       ASN  41 -15.340  -5.565  -5.565
  312    HA   ASN  41           HA       ASN  41 -17.888  -5.839  -5.839
  313   1HB   ASN  41           HB2      ASN  41 -16.497  -6.162  -6.162
  314   2HB   ASN  41           HB1      ASN  41 -16.379  -4.631  -4.631
  315   1HD2  ASN  41          HD22      ASN  41 -12.939  -4.941  -4.941
  316   2HD2  ASN  41          HD21      ASN  41 -14.364  -4.056  -4.056
  317    H    ARG  42           HN       ARG  42 -17.999  -7.461  -7.461
  318    HA   ARG  42           HA       ARG  42 -18.781  -9.898  -9.898
  319   1HB   ARG  42           HB2      ARG  42 -18.157 -10.734 -10.734
  320   2HB   ARG  42           HB1      ARG  42 -19.291  -9.397  -9.397
  321   1HG   ARG  42           HG2      ARG  42 -17.558  -7.814  -7.814
  322   2HG   ARG  42           HG1      ARG  42 -16.343  -9.095  -9.095
  323   1HD   ARG  42           HD1      ARG  42 -17.105 -10.009 -10.009
  324   2HD   ARG  42           HD2      ARG  42 -18.714  -9.309  -9.309
  325    HE   ARG  42           HE       ARG  42 -16.908  -7.210  -7.210
  326   1HH1  ARG  42          HH21      ARG  42 -18.122  -9.894  -9.894
  327   2HH1  ARG  42          HH22      ARG  42 -17.905  -9.101  -9.101
  328   1HH2  ARG  42          HH11      ARG  42 -16.620  -6.158  -6.158
  329   2HH2  ARG  42          HH12      ARG  42 -17.050  -6.977  -6.977
  330    H    PHE  43           HN       PHE  43 -15.503  -9.076  -9.076
  331    HA   PHE  43           HA       PHE  43 -14.282 -11.525 -11.525
  332   1HB   PHE  43           HB2      PHE  43 -12.943  -9.071  -9.071
  333   2HB   PHE  43           HB1      PHE  43 -12.220 -10.396 -10.396
  334    HD1  PHE  43           HD1      PHE  43 -14.046 -10.628 -10.628
  335    HD2  PHE  43           HD2      PHE  43 -12.490  -7.170  -7.170
  336    HE1  PHE  43           HE1      PHE  43 -14.301  -9.340  -9.340
  337    HE2  PHE  43           HE2      PHE  43 -12.743  -5.876  -5.876
  338    HZ   PHE  43           HZ       PHE  43 -13.650  -6.961  -6.961
  339    H    GLY  44           HN       GLY  44 -14.285  -9.205  -9.205
  340   1HA   GLY  44           HA2      GLY  44 -15.111 -10.143 -10.143
  341   2HA   GLY  44           HA1      GLY  44 -14.093 -11.531 -11.531
  342    H    LYS  45           HN       LYS  45 -12.966  -8.354  -8.354
  343    HA   LYS  45           HA       LYS  45 -11.026  -8.540  -8.540
  344   1HB   LYS  45           HB2      LYS  45 -10.740  -7.987  -7.987
  345   2HB   LYS  45           HB1      LYS  45 -10.136  -6.633  -6.633
  346   1HG   LYS  45           HG1      LYS  45  -8.794  -8.322  -8.322
  347   2HG   LYS  45           HG2      LYS  45  -9.230  -9.495  -9.495
  348   1HD   LYS  45           HD2      LYS  45  -8.088  -6.885  -6.885
  349   2HD   LYS  45           HD1      LYS  45  -7.001  -8.082  -8.082
  350   1HE   LYS  45           HE2      LYS  45  -7.015  -9.315  -9.315
  351   2HE   LYS  45           HE1      LYS  45  -8.775  -9.275  -9.275
  352   1HZ   LYS  45           HZ1      LYS  45  -7.654  -6.764  -6.764
  353   2HZ   LYS  45           HZ3      LYS  45  -7.010  -8.000  -8.000
  354   3HZ   LYS  45           HZ2      LYS  45  -8.684  -7.767  -7.767
  355    H    THR  46           HN       THR  46 -10.240  -6.431  -6.431
  356    HA   THR  46           HA       THR  46 -12.513  -4.731  -4.731
  357    HB   THR  46           HB       THR  46 -11.185  -3.778  -3.778
  358    HG1  THR  46           HG1      THR  46  -9.252  -3.355  -3.355
  359   1HG2  THR  46          HG21      THR  46 -10.890  -6.708  -6.708
  360   2HG2  THR  46          HG23      THR  46  -9.943  -5.906  -5.906
  361   3HG2  THR  46          HG22      THR  46 -11.703  -5.776  -5.776
  362    H    ALA  47           HN       ALA  47 -12.533  -2.454  -2.454
  363    HA   ALA  47           HA       ALA  47 -11.799  -1.524  -1.524
  364   1HB   ALA  47           HB1      ALA  47 -13.498  -0.472  -0.472
  365   2HB   ALA  47           HB3      ALA  47 -12.214   0.148   0.148
  366   3HB   ALA  47           HB2      ALA  47 -12.340   0.697   0.697
  367    H    LEU  48           HN       LEU  48  -9.928  -1.721  -1.721
  368    HA   LEU  48           HA       LEU  48  -7.913   0.155   0.155
  369   1HB   LEU  48           HB1      LEU  48  -8.358  -1.808  -1.808
  370   2HB   LEU  48           HB2      LEU  48  -6.682  -1.465  -1.465
  371    HG   LEU  48           HG       LEU  48  -8.791   0.447   0.447
  372   1HD1  LEU  48          HD11      LEU  48  -7.393  -1.026  -1.026
  373   2HD1  LEU  48          HD13      LEU  48  -6.034  -0.004  -0.004
  374   3HD1  LEU  48          HD12      LEU  48  -7.438   0.706   0.706
  375   1HD2  LEU  48          HD22      LEU  48  -6.301   0.984   0.984
  376   2HD2  LEU  48          HD21      LEU  48  -7.822   1.875   1.875
  377   3HD2  LEU  48          HD23      LEU  48  -6.674   2.034   2.034
  378    H    GLN  49           HN       GLN  49  -8.257  -3.357  -3.357
  379    HA   GLN  49           HA       GLN  49  -5.649  -3.804  -3.804
  380   1HB   GLN  49           HB1      GLN  49  -7.936  -5.693  -5.693
  381   2HB   GLN  49           HB2      GLN  49  -6.242  -6.053  -6.053
  382   1HG   GLN  49           HG1      GLN  49  -7.092  -4.702  -4.702
  383   2HG   GLN  49           HG2      GLN  49  -8.422  -5.781  -5.781
  384   1HE2  GLN  49          HE22      GLN  49  -4.821  -7.644  -7.644
  385   2HE2  GLN  49          HE21      GLN  49  -4.963  -6.242  -6.242
  386    H    VAL  50           HN       VAL  50  -8.380  -2.426  -2.426
  387    HA   VAL  50           HA       VAL  50  -7.379  -2.944  -2.944
  388    HB   VAL  50           HB       VAL  50  -9.726  -3.017  -3.017
  389   1HG1  VAL  50          HG12      VAL  50  -8.714  -5.114  -5.114
  390   2HG1  VAL  50          HG11      VAL  50 -10.199  -5.338  -5.338
  391   3HG1  VAL  50          HG13      VAL  50  -8.665  -5.102  -5.102
  392   1HG2  VAL  50          HG23      VAL  50 -10.372  -2.087  -2.087
  393   2HG2  VAL  50          HG22      VAL  50 -11.511  -2.751  -2.751
  394   3HG2  VAL  50          HG21      VAL  50 -10.839  -3.786  -3.786
  395    H    MET  51           HN       MET  51  -7.216  -0.673  -0.673
  396    HA   MET  51           HA       MET  51  -8.886   1.423   1.423
  397   1HB   MET  51           HB2      MET  51  -7.077   1.079   1.079
  398   2HB   MET  51           HB1      MET  51  -6.393   2.366   2.366
  399   1HG   MET  51           HG2      MET  51  -8.691   3.444   3.444
  400   2HG   MET  51           HG1      MET  51  -9.062   2.281   2.281
  401   1HE   MET  51           HE2      MET  51  -6.678   1.771   1.771
  402   2HE   MET  51           HE1      MET  51  -5.367   2.818   2.818
  403   3HE   MET  51           HE3      MET  51  -6.088   3.063   3.063
  404    H    MET  52           HN       MET  52  -7.518   3.551   3.551
  405    HA   MET  52           HA       MET  52  -5.986   2.767   2.767
  406   1HB   MET  52           HB2      MET  52  -8.326   4.161   4.161
  407   2HB   MET  52           HB1      MET  52  -7.154   5.468   5.468
  408   1HG   MET  52           HG1      MET  52  -6.083   4.165   4.165
  409   2HG   MET  52           HG2      MET  52  -7.678   3.422   3.422
  410   1HE   MET  52           HE3      MET  52  -5.881   6.846   6.846
  411   2HE   MET  52           HE2      MET  52  -7.068   7.987   7.987
  412   3HE   MET  52           HE1      MET  52  -7.375   7.145   7.145
  413    H    PHE  53           HN       PHE  53  -5.811   4.281   4.281
  414    HA   PHE  53           HA       PHE  53  -4.318   5.654   5.654
  415   1HB   PHE  53           HB2      PHE  53  -2.493   4.368   4.368
  416   2HB   PHE  53           HB1      PHE  53  -1.940   5.292   5.292
  417    HD1  PHE  53           HD1      PHE  53  -4.155   2.404   2.404
  418    HD2  PHE  53           HD2      PHE  53  -1.391   4.148   4.148
  419    HE1  PHE  53           HE1      PHE  53  -4.239   0.362   0.362
  420    HE2  PHE  53           HE2      PHE  53  -1.472   2.107   2.107
  421    HZ   PHE  53           HZ       PHE  53  -2.896   0.214   0.214
  422    H    GLY  54           HN       GLY  54  -5.738   6.625   6.625
  423   1HA   GLY  54           HA2      GLY  54  -3.965   8.444   8.444
  424   2HA   GLY  54           HA1      GLY  54  -5.722   8.465   8.465
  425    H    SER  55           HN       SER  55  -6.595   8.961   8.961
  426    HA   SER  55           HA       SER  55  -5.450  11.587  11.587
  427   1HB   SER  55           HB2      SER  55  -7.713  11.938  11.938
  428   2HB   SER  55           HB1      SER  55  -8.180  10.381  10.381
  429    HG   SER  55           HG       SER  55  -7.223  12.617  12.617
  430    HA   PRO  56           HA       PRO  56  -3.765   9.984   9.984
  431   1HB   PRO  56           HB1      PRO  56  -3.498  12.328  12.328
  432   2HB   PRO  56           HB2      PRO  56  -2.410  11.830  11.830
  433   1HG   PRO  56           HG1      PRO  56  -4.726  13.722  13.722
  434   2HG   PRO  56           HG2      PRO  56  -3.132  13.866  13.866
  435   1HD   PRO  56           HD1      PRO  56  -5.335  13.087  13.087
  436   2HD   PRO  56           HD2      PRO  56  -3.710  12.490  12.490
  437    H    ALA  57           HN       ALA  57  -6.222  12.533  12.533
  438    HA   ALA  57           HA       ALA  57  -7.031  11.689  11.689
  439   1HB   ALA  57           HB1      ALA  57  -7.721  13.748  13.748
  440   2HB   ALA  57           HB3      ALA  57  -9.212  12.937  12.937
  441   3HB   ALA  57           HB2      ALA  57  -8.138  13.608  13.608
  442    H    VAL  58           HN       VAL  58  -7.661  10.400  10.400
  443    HA   VAL  58           HA       VAL  58 -10.189   9.252   9.252
  444    HB   VAL  58           HB       VAL  58  -7.935   8.818   8.818
  445   1HG1  VAL  58          HG13      VAL  58  -9.827   6.699   6.699
  446   2HG1  VAL  58          HG12      VAL  58  -9.613   6.957   6.957
  447   3HG1  VAL  58          HG11      VAL  58  -8.220   6.588   6.588
  448   1HG2  VAL  58          HG21      VAL  58 -10.899   9.228   9.228
  449   2HG2  VAL  58          HG23      VAL  58  -9.646  10.459  10.459
  450   3HG2  VAL  58          HG22      VAL  58  -9.726   9.134   9.134
  451    H    ALA  59           HN       ALA  59  -6.941   7.792   7.792
  452    HA   ALA  59           HA       ALA  59  -7.825   5.339   5.339
  453   1HB   ALA  59           HB3      ALA  59  -5.175   6.739   6.739
  454   2HB   ALA  59           HB2      ALA  59  -5.396   5.206   5.206
  455   3HB   ALA  59           HB1      ALA  59  -5.678   5.304   5.304
  456    H    LEU  60           HN       LEU  60  -6.867   8.366   8.366
  457    HA   LEU  60           HA       LEU  60  -6.772   7.449   7.449
  458   1HB   LEU  60           HB2      LEU  60  -5.820   9.583   9.583
  459   2HB   LEU  60           HB1      LEU  60  -7.397  10.184  10.184
  460    HG   LEU  60           HG       LEU  60  -8.080   9.839   9.839
  461   1HD1  LEU  60          HD23      LEU  60  -5.565   8.680   8.680
  462   2HD1  LEU  60          HD22      LEU  60  -5.375  10.246  10.246
  463   3HD1  LEU  60          HD21      LEU  60  -6.607   9.117   9.117
  464   1HD2  LEU  60          HD11      LEU  60  -7.014  11.980  11.980
  465   2HD2  LEU  60          HD13      LEU  60  -7.800  12.040  12.040
  466   3HD2  LEU  60          HD12      LEU  60  -6.044  11.913  11.913
  467    H    GLU  61           HN       GLU  61  -9.381   9.068   9.068
  468    HA   GLU  61           HA       GLU  61 -11.278   8.988   8.988
  469   1HB   GLU  61           HB1      GLU  61 -11.333   9.448   9.448
  470   2HB   GLU  61           HB2      GLU  61 -12.858   9.007   9.007
  471   1HG   GLU  61           HG2      GLU  61 -11.140  11.404  11.404
  472   2HG   GLU  61           HG1      GLU  61 -12.825  11.342  11.342
  473    H    LEU  62           HN       LEU  62 -10.930   6.841   6.841
  474    HA   LEU  62           HA       LEU  62 -12.993   5.088   5.088
  475   1HB   LEU  62           HB2      LEU  62 -12.551   4.135   4.135
  476   2HB   LEU  62           HB1      LEU  62 -11.334   5.376   5.376
  477    HG   LEU  62           HG       LEU  62  -9.670   3.789   3.789
  478   1HD1  LEU  62          HD21      LEU  62 -12.021   2.299   2.299
  479   2HD1  LEU  62          HD23      LEU  62 -11.040   1.379   1.379
  480   3HD1  LEU  62          HD22      LEU  62 -10.355   1.886   1.886
  481   1HD2  LEU  62          HD11      LEU  62 -10.166   4.176   4.176
  482   2HD2  LEU  62          HD13      LEU  62  -9.180   2.793   2.793
  483   3HD2  LEU  62          HD12      LEU  62 -10.880   2.564   2.564
  484    H    LEU  63           HN       LEU  63  -9.464   4.764   4.764
  485    HA   LEU  63           HA       LEU  63  -9.608   2.329   2.329
  486   1HB   LEU  63           HB2      LEU  63  -7.333   2.511   2.511
  487   2HB   LEU  63           HB1      LEU  63  -7.577   3.479   3.479
  488    HG   LEU  63           HG       LEU  63  -7.621   5.508   5.508
  489   1HD1  LEU  63          HD12      LEU  63  -7.482   3.474   3.474
  490   2HD1  LEU  63          HD11      LEU  63  -5.953   4.352   4.352
  491   3HD1  LEU  63          HD13      LEU  63  -7.474   5.221   5.221
  492   1HD2  LEU  63          HD23      LEU  63  -5.698   4.613   4.613
  493   2HD2  LEU  63          HD22      LEU  63  -5.330   5.795   5.795
  494   3HD2  LEU  63          HD21      LEU  63  -4.991   4.087   4.087
  495    H    LYS  64           HN       LYS  64  -9.273   5.670   5.670
  496    HA   LYS  64           HA       LYS  64  -9.334   5.003   5.003
  497   1HB   LYS  64           HB1      LYS  64  -8.555   7.185   7.185
  498   2HB   LYS  64           HB2      LYS  64 -10.255   7.623   7.623
  499   1HG   LYS  64           HG1      LYS  64 -10.439   7.378   7.378
  500   2HG   LYS  64           HG2      LYS  64  -8.710   7.034   7.034
  501   1HD   LYS  64           HD2      LYS  64  -9.051   9.409   9.409
  502   2HD   LYS  64           HD1      LYS  64 -10.026   9.561   9.561
  503   1HE   LYS  64           HE2      LYS  64  -7.890   8.671   8.671
  504   2HE   LYS  64           HE1      LYS  64  -7.072   9.197   9.197
  505   1HZ   LYS  64           HZ3      LYS  64  -8.810  11.228  11.228
  506   2HZ   LYS  64           HZ2      LYS  64  -7.811  10.753  10.753
  507   3HZ   LYS  64           HZ1      LYS  64  -7.128  11.275  11.275
  508    H    GLN  65           HN       GLN  65 -11.262   3.410   3.410
  509    HA   GLN  65           HA       GLN  65 -13.612   4.508   4.508
  510   1HB   GLN  65           HB2      GLN  65 -13.541   4.739   4.739
  511   2HB   GLN  65           HB1      GLN  65 -14.281   3.152   3.152
  512   1HG   GLN  65           HG1      GLN  65 -15.927   4.967   4.967
  513   2HG   GLN  65           HG2      GLN  65 -16.058   4.069   4.069
  514   1HE2  GLN  65          HE22      GLN  65 -16.157   7.084   7.084
  515   2HE2  GLN  65          HE21      GLN  65 -16.905   5.573   5.573
  516    H    GLY  66           HN       GLY  66 -12.070   1.770   1.770
  517   1HA   GLY  66           HA2      GLY  66 -12.162  -0.089  -0.089
  518   2HA   GLY  66           HA1      GLY  66 -13.819  -0.126  -0.126
  519    H    ALA  67           HN       ALA  67 -10.900   0.393   0.393
  520    HA   ALA  67           HA       ALA  67 -11.629  -1.954  -1.954
  521   1HB   ALA  67           HB3      ALA  67 -10.390   0.634   0.634
  522   2HB   ALA  67           HB2      ALA  67  -9.624  -0.736  -0.736
  523   3HB   ALA  67           HB1      ALA  67 -11.345  -0.428  -0.428
  524    H    SER  68           HN       SER  68  -9.690  -1.292  -1.292
  525    HA   SER  68           HA       SER  68  -7.719  -2.105  -2.105
  526   1HB   SER  68           HB2      SER  68  -9.155  -4.404  -4.404
  527   2HB   SER  68           HB1      SER  68  -7.520  -4.674  -4.674
  528    HG   SER  68           HG       SER  68  -9.841  -3.959  -3.959
  529    HA   PRO  69           HA       PRO  69  -5.308  -1.123  -1.123
  530   1HB   PRO  69           HB1      PRO  69  -3.479  -0.445  -0.445
  531   2HB   PRO  69           HB2      PRO  69  -3.788   0.437   0.437
  532   1HG   PRO  69           HG1      PRO  69  -4.857   1.250   1.250
  533   2HG   PRO  69           HG2      PRO  69  -5.775   1.341   1.341
  534   1HD   PRO  69           HD1      PRO  69  -6.053  -0.561  -0.561
  535   2HD   PRO  69           HD2      PRO  69  -7.292   0.077   0.077
  536    H    ASN  70           HN       ASN  70  -4.529  -2.940  -2.940
  537    HA   ASN  70           HA       ASN  70  -2.251  -4.253  -4.253
  538   1HB   ASN  70           HB2      ASN  70  -3.774  -4.634  -4.634
  539   2HB   ASN  70           HB1      ASN  70  -2.461  -5.706  -5.706
  540   1HD2  ASN  70          HD22      ASN  70  -1.057  -3.116  -3.116
  541   2HD2  ASN  70          HD21      ASN  70  -2.238  -4.370  -4.370
  542    H    VAL  71           HN       VAL  71  -3.453  -4.976  -4.976
  543    HA   VAL  71           HA       VAL  71  -4.960  -7.455  -7.455
  544    HB   VAL  71           HB       VAL  71  -6.104  -7.148  -7.148
  545   1HG1  VAL  71          HG21      VAL  71  -6.407  -5.509  -5.509
  546   2HG1  VAL  71          HG23      VAL  71  -6.640  -4.465  -4.465
  547   3HG1  VAL  71          HG22      VAL  71  -7.624  -5.917  -5.917
  548   1HG2  VAL  71          HG11      VAL  71  -4.285  -6.059  -6.059
  549   2HG2  VAL  71          HG13      VAL  71  -5.791  -5.152  -5.152
  550   3HG2  VAL  71          HG12      VAL  71  -4.522  -4.593  -4.593
  551    H    GLN  72           HN       GLN  72  -4.565  -9.258  -9.258
  552    HA   GLN  72           HA       GLN  72  -2.271  -9.121  -9.121
  553   1HB   GLN  72           HB2      GLN  72  -2.442 -11.230 -11.230
  554   2HB   GLN  72           HB1      GLN  72  -1.114 -10.943 -10.943
  555   1HG   GLN  72           HG2      GLN  72  -0.656  -8.808  -8.808
  556   2HG   GLN  72           HG1      GLN  72  -2.005  -9.067  -9.067
  557   1HE2  GLN  72          HE22      GLN  72   1.467 -11.179 -11.179
  558   2HE2  GLN  72          HE21      GLN  72   1.051 -10.488 -10.488
  559    H    ASP  73           HN       ASP  73  -2.475 -10.400 -10.400
  560    HA   ASP  73           HA       ASP  73  -4.853 -12.119 -12.119
  561   1HB   ASP  73           HB2      ASP  73  -3.496 -10.355 -10.355
  562   2HB   ASP  73           HB1      ASP  73  -3.940 -11.922 -11.922
  563    H    ALA  74           HN       ALA  74  -4.663 -14.255 -14.255
  564    HA   ALA  74           HA       ALA  74  -3.624 -16.298 -16.298
  565   1HB   ALA  74           HB3      ALA  74  -2.949 -15.096 -15.096
  566   2HB   ALA  74           HB2      ALA  74  -2.123 -16.588 -16.588
  567   3HB   ALA  74           HB1      ALA  74  -3.885 -16.542 -16.542
  568    H    SER  75           HN       SER  75  -0.883 -14.987 -14.987
  569    HA   SER  75           HA       SER  75   0.910 -15.929 -15.929
  570   1HB   SER  75           HB1      SER  75   1.394 -14.481 -14.481
  571   2HB   SER  75           HB2      SER  75   2.682 -15.044 -15.044
  572    HG   SER  75           HG       SER  75   0.840 -16.980 -16.980
  573    H    GLY  76           HN       GLY  76   1.342 -12.847 -12.847
  574   1HA   GLY  76           HA1      GLY  76   0.739 -11.193 -11.193
  575   2HA   GLY  76           HA2      GLY  76   2.463 -11.531 -11.531
  576    H    THR  77           HN       THR  77  -0.134 -10.568 -10.568
  577    HA   THR  77           HA       THR  77   1.766  -8.664  -8.664
  578    HB   THR  77           HB       THR  77  -0.681  -9.468  -9.468
  579    HG1  THR  77           HG1      THR  77   1.561 -11.165 -11.165
  580   1HG2  THR  77          HG21      THR  77   0.913  -7.909  -7.909
  581   2HG2  THR  77          HG23      THR  77   2.179  -9.130  -9.130
  582   3HG2  THR  77          HG22      THR  77   0.791  -9.408  -9.408
  583    H    SER  78           HN       SER  78   0.436  -7.927  -7.927
  584    HA   SER  78           HA       SER  78  -2.033  -6.708  -6.708
  585   1HB   SER  78           HB2      SER  78  -0.066  -5.175  -5.175
  586   2HB   SER  78           HB1      SER  78  -1.608  -5.873  -5.873
  587    HG   SER  78           HG       SER  78   0.572  -6.783  -6.783
  588    HA   PRO  79           HA       PRO  79  -1.962  -3.143  -3.143
  589   1HB   PRO  79           HB1      PRO  79  -2.402  -1.154  -1.154
  590   2HB   PRO  79           HB2      PRO  79  -3.617  -1.933  -1.933
  591   1HG   PRO  79           HG2      PRO  79  -2.834  -2.509  -2.509
  592   2HG   PRO  79           HG1      PRO  79  -4.398  -2.733  -2.733
  593   1HD   PRO  79           HD1      PRO  79  -2.807  -4.811  -4.811
  594   2HD   PRO  79           HD2      PRO  79  -3.795  -4.788  -4.788
  595    H    VAL  80           HN       VAL  80  -0.167  -2.977  -2.977
  596    HA   VAL  80           HA       VAL  80   1.431  -0.775  -0.775
  597    HB   VAL  80           HB       VAL  80   1.339  -2.879  -2.879
  598   1HG1  VAL  80          HG11      VAL  80   4.123  -2.554  -2.554
  599   2HG1  VAL  80          HG13      VAL  80   3.727  -3.334  -3.334
  600   3HG1  VAL  80          HG12      VAL  80   3.156  -4.029  -4.029
  601   1HG2  VAL  80          HG21      VAL  80   2.879  -0.309  -0.309
  602   2HG2  VAL  80          HG23      VAL  80   1.367  -0.635  -0.635
  603   3HG2  VAL  80          HG22      VAL  80   2.877  -1.330  -1.330
  604    H    HIS  81           HN       HIS  81   1.953  -4.130  -4.130
  605    HA   HIS  81           HA       HIS  81   4.443  -3.581  -3.581
  606   1HB   HIS  81           HB2      HIS  81   2.600  -5.929  -5.929
  607   2HB   HIS  81           HB1      HIS  81   4.327  -5.848  -5.848
  608    HD2  HIS  81           HD2      HIS  81   6.003  -6.133  -6.133
  609    HE1  HIS  81           HE1      HIS  81   2.885  -7.220  -7.220
  610    HE2  HIS  81           HE2      HIS  81   5.389  -6.910  -6.910
  611    H    ASP  82           HN       ASP  82   1.090  -3.814  -3.814
  612    HA   ASP  82           HA       ASP  82   1.653  -3.652  -3.652
  613   1HB   ASP  82           HB2      ASP  82  -0.622  -4.053  -4.053
  614   2HB   ASP  82           HB1      ASP  82  -0.946  -2.588  -2.588
  615    H    ALA  83           HN       ALA  83   0.025  -1.217  -1.217
  616    HA   ALA  83           HA       ALA  83   0.223   0.907   0.907
  617   1HB   ALA  83           HB1      ALA  83  -0.121   0.655   0.655
  618   2HB   ALA  83           HB3      ALA  83   0.310   2.245   2.245
  619   3HB   ALA  83           HB2      ALA  83  -1.149   1.436   1.436
  620    H    ALA  84           HN       ALA  84   2.715  -0.593  -0.593
  621    HA   ALA  84           HA       ALA  84   4.496   1.628   1.628
  622   1HB   ALA  84           HB2      ALA  84   4.875  -1.338  -1.338
  623   2HB   ALA  84           HB1      ALA  84   6.210  -0.193  -0.193
  624   3HB   ALA  84           HB3      ALA  84   4.853  -0.102  -0.102
  625    H    ARG  85           HN       ARG  85   4.719  -1.349  -1.349
  626    HA   ARG  85           HA       ARG  85   6.700  -0.269  -0.269
  627   1HB   ARG  85           HB2      ARG  85   6.563  -2.312  -2.312
  628   2HB   ARG  85           HB1      ARG  85   6.311  -2.715  -2.715
  629   1HG   ARG  85           HG1      ARG  85   4.063  -3.169  -3.169
  630   2HG   ARG  85           HG2      ARG  85   3.972  -2.221  -2.221
  631   1HD   ARG  85           HD1      ARG  85   5.655  -3.989  -3.989
  632   2HD   ARG  85           HD2      ARG  85   5.059  -4.972  -4.972
  633    HE   ARG  85           HE       ARG  85   3.162  -5.337  -5.337
  634   1HH1  ARG  85          HH11      ARG  85   4.674  -2.431  -2.431
  635   2HH1  ARG  85          HH12      ARG  85   3.540  -2.211  -2.211
  636   1HH2  ARG  85          HH21      ARG  85   1.662  -5.056  -5.056
  637   2HH2  ARG  85          HH22      ARG  85   1.828  -3.704  -3.704
  638    H    THR  86           HN       THR  86   3.294   0.003   0.003
  639    HA   THR  86           HA       THR  86   2.798   0.335   0.335
  640    HB   THR  86           HB       THR  86   0.670   1.356   1.356
  641    HG1  THR  86           HG1      THR  86   1.327   2.491   2.491
  642   1HG2  THR  86          HG23      THR  86   1.586  -1.245  -1.245
  643   2HG2  THR  86          HG22      THR  86   0.282  -0.599  -0.599
  644   3HG2  THR  86          HG21      THR  86   0.060  -0.771  -0.771
  645    H    GLY  87           HN       GLY  87   3.213   2.713   2.713
  646   1HA   GLY  87           HA1      GLY  87   4.682   4.629   4.629
  647   2HA   GLY  87           HA2      GLY  87   3.954   4.683   4.683
  648    H    PHE  88           HN       PHE  88   3.009   4.822   4.822
  649    HA   PHE  88           HA       PHE  88   1.503   7.244   7.244
  650   1HB   PHE  88           HB2      PHE  88   0.208   4.619   4.619
  651   2HB   PHE  88           HB1      PHE  88  -0.493   6.107   6.107
  652    HD1  PHE  88           HD2      PHE  88  -0.757   8.025   8.025
  653    HD2  PHE  88           HD1      PHE  88  -0.571   3.844   3.844
  654    HE1  PHE  88           HE2      PHE  88  -1.915   8.397   8.397
  655    HE2  PHE  88           HE1      PHE  88  -1.729   4.209   4.209
  656    HZ   PHE  88           HZ       PHE  88  -2.402   6.488   6.488
  657    H    LEU  89           HN       LEU  89   3.656   7.331   7.331
  658    HA   LEU  89           HA       LEU  89   3.622   6.560   6.560
  659   1HB   LEU  89           HB2      LEU  89   5.677   7.267   7.267
  660   2HB   LEU  89           HB1      LEU  89   5.006   8.787   8.787
  661    HG   LEU  89           HG       LEU  89   4.785   9.535   9.535
  662   1HD1  LEU  89          HD22      LEU  89   5.259   6.781   6.781
  663   2HD1  LEU  89          HD21      LEU  89   6.544   7.728   7.728
  664   3HD1  LEU  89          HD23      LEU  89   4.858   8.070   8.070
  665   1HD2  LEU  89          HD12      LEU  89   7.433   8.759   8.759
  666   2HD2  LEU  89          HD11      LEU  89   6.712  10.359  10.359
  667   3HD2  LEU  89          HD13      LEU  89   7.343   9.518   9.518
  668    H    ASP  90           HN       ASP  90   1.694   8.876   8.876
  669    HA   ASP  90           HA       ASP  90   1.381  10.747  10.747
  670   1HB   ASP  90           HB1      ASP  90  -0.698  10.093  10.093
  671   2HB   ASP  90           HB2      ASP  90  -0.472  11.613  11.613
  672    H    THR  91           HN       THR  91  -1.145   8.526   8.526
  673    HA   THR  91           HA       THR  91  -2.539   8.591   8.591
  674    HB   THR  91           HB       THR  91  -2.827   6.549   6.549
  675    HG1  THR  91           HG1      THR  91  -3.410   9.220   9.220
  676   1HG2  THR  91          HG21      THR  91  -4.576   7.412   7.412
  677   2HG2  THR  91          HG23      THR  91  -5.286   6.819   6.819
  678   3HG2  THR  91          HG22      THR  91  -4.199   5.788   5.788
  679    H    LEU  92           HN       LEU  92  -0.216   6.369   6.369
  680    HA   LEU  92           HA       LEU  92  -0.512   4.176   4.176
  681   1HB   LEU  92           HB2      LEU  92   0.985   4.192   4.192
  682   2HB   LEU  92           HB1      LEU  92   2.035   5.344   5.344
  683    HG   LEU  92           HG       LEU  92   2.384   3.568   3.568
  684   1HD1  LEU  92          HD22      LEU  92   0.372   2.237   2.237
  685   2HD1  LEU  92          HD21      LEU  92   1.401   1.680   1.680
  686   3HD1  LEU  92          HD23      LEU  92   1.840   1.327   1.327
  687   1HD2  LEU  92          HD11      LEU  92   3.952   4.189   4.189
  688   2HD2  LEU  92          HD13      LEU  92   4.177   2.600   2.600
  689   3HD2  LEU  92          HD12      LEU  92   3.353   2.748   2.748
  690    H    LYS  93           HN       LYS  93   1.516   7.051   7.051
  691    HA   LYS  93           HA       LYS  93   2.663   6.376   6.376
  692   1HB   LYS  93           HB1      LYS  93   2.763   8.554   8.554
  693   2HB   LYS  93           HB2      LYS  93   1.773   9.185   9.185
  694   1HG   LYS  93           HG2      LYS  93   3.564   8.380   8.380
  695   2HG   LYS  93           HG1      LYS  93   4.559   8.084   8.084
  696   1HD   LYS  93           HD2      LYS  93   3.280  10.752  10.752
  697   2HD   LYS  93           HD1      LYS  93   4.842  10.326  10.326
  698   1HE   LYS  93           HE1      LYS  93   5.920  10.471  10.471
  699   2HE   LYS  93           HE2      LYS  93   4.566   9.797   9.797
  700   1HZ   LYS  93           HZ2      LYS  93   3.442  11.970  11.970
  701   2HZ   LYS  93           HZ1      LYS  93   4.850  12.590  12.590
  702   3HZ   LYS  93           HZ3      LYS  93   4.867  12.057  12.057
  703    H    VAL  94           HN       VAL  94  -0.464   7.927   7.927
  704    HA   VAL  94           HA       VAL  94  -1.216   8.475   8.475
  705    HB   VAL  94           HB       VAL  94  -3.313   7.398   7.398
  706   1HG1  VAL  94          HG12      VAL  94  -3.028   9.351   9.351
  707   2HG1  VAL  94          HG11      VAL  94  -4.060   9.873   9.873
  708   3HG1  VAL  94          HG13      VAL  94  -4.417   8.374   8.374
  709   1HG2  VAL  94          HG22      VAL  94  -1.722   9.896   9.896
  710   2HG2  VAL  94          HG21      VAL  94  -1.968   8.517   8.517
  711   3HG2  VAL  94          HG23      VAL  94  -3.317   9.582   9.582
  712    H    LEU  95           HN       LEU  95  -2.128   5.564   5.564
  713    HA   LEU  95           HA       LEU  95  -3.113   4.214   4.214
  714   1HB   LEU  95           HB1      LEU  95  -3.185   2.231   2.231
  715   2HB   LEU  95           HB2      LEU  95  -4.078   3.633   3.633
  716    HG   LEU  95           HG       LEU  95  -1.579   3.954   3.954
  717   1HD1  LEU  95          HD12      LEU  95  -1.358   1.462   1.462
  718   2HD1  LEU  95          HD11      LEU  95  -2.349   1.149   1.149
  719   3HD1  LEU  95          HD13      LEU  95  -0.790   1.959   1.959
  720   1HD2  LEU  95          HD23      LEU  95  -4.166   3.986   3.986
  721   2HD2  LEU  95          HD22      LEU  95  -2.797   4.079   4.079
  722   3HD2  LEU  95          HD21      LEU  95  -3.596   2.532   2.532
  723    H    VAL  96           HN       VAL  96  -0.106   4.101   4.101
  724    HA   VAL  96           HA       VAL  96   1.018   1.884   1.884
  725    HB   VAL  96           HB       VAL  96   2.206   4.093   4.093
  726   1HG1  VAL  96          HG13      VAL  96   3.601   2.189   2.189
  727   2HG1  VAL  96          HG12      VAL  96   4.252   2.359   2.359
  728   3HG1  VAL  96          HG11      VAL  96   4.107   3.773   3.773
  729   1HG2  VAL  96          HG21      VAL  96   1.609   1.184   1.184
  730   2HG2  VAL  96          HG23      VAL  96   1.153   2.556   2.556
  731   3HG2  VAL  96          HG22      VAL  96   2.822   1.986   1.986
  732    H    GLU  97           HN       GLU  97   1.288   5.382   5.382
  733    HA   GLU  97           HA       GLU  97   3.152   5.223   5.223
  734   1HB   GLU  97           HB2      GLU  97   2.842   7.538   7.538
  735   2HB   GLU  97           HB1      GLU  97   2.585   7.254   7.254
  736   1HG   GLU  97           HG1      GLU  97   0.100   7.124   7.124
  737   2HG   GLU  97           HG2      GLU  97   0.563   7.850   7.850
  738    H    HIS  98           HN       HIS  98  -0.378   5.471   5.471
  739    HA   HIS  98           HA       HIS  98  -0.906   5.792   5.792
  740   1HB   HIS  98           HB2      HIS  98  -2.686   6.020   6.020
  741   2HB   HIS  98           HB1      HIS  98  -2.479   4.363   4.363
  742    HD2  HIS  98           HD2      HIS  98  -4.602   6.322   6.322
  743    HE1  HIS  98           HE1      HIS  98  -4.846   2.269   2.269
  744    HE2  HIS  98           HE2      HIS  98  -5.711   4.615   4.615
  745    H    GLY  99           HN       GLY  99   0.231   3.024   3.024
  746   1HA   GLY  99           HA2      GLY  99   1.373   1.364   1.364
  747   2HA   GLY  99           HA1      GLY  99  -0.053   1.415   1.415
  748    H    ALA 100           HN       ALA 100   0.392   1.123   1.123
  749    HA   ALA 100           HA       ALA 100  -1.610  -0.972  -0.972
  750   1HB   ALA 100           HB1      ALA 100  -0.020   0.338   0.338
  751   2HB   ALA 100           HB3      ALA 100  -1.309  -0.842  -0.842
  752   3HB   ALA 100           HB2      ALA 100  -1.673   0.724   0.724
  753    H    ASP 101           HN       ASP 101   0.235  -2.066  -2.066
  754    HA   ASP 101           HA       ASP 101   1.941  -3.606  -3.606
  755   1HB   ASP 101           HB1      ASP 101  -0.305  -4.724  -4.724
  756   2HB   ASP 101           HB2      ASP 101   0.701  -5.080  -5.080
  757    H    VAL 102           HN       VAL 102   3.085  -1.626  -1.626
  758    HA   VAL 102           HA       VAL 102   4.062  -2.365  -2.365
  759    HB   VAL 102           HB       VAL 102   3.855   0.008   0.008
  760   1HG1  VAL 102          HG22      VAL 102   5.056  -0.397  -0.397
  761   2HG1  VAL 102          HG21      VAL 102   6.526  -0.747  -0.747
  762   3HG1  VAL 102          HG23      VAL 102   5.831   0.874   0.874
  763   1HG2  VAL 102          HG13      VAL 102   6.262  -0.991  -0.991
  764   2HG2  VAL 102          HG12      VAL 102   4.798  -0.248  -0.248
  765   3HG2  VAL 102          HG11      VAL 102   5.958   0.728   0.728
  766    H    ASN 103           HN       ASN 103   4.703  -3.640  -3.640
  767    HA   ASN 103           HA       ASN 103   7.557  -4.067  -4.067
  768   1HB   ASN 103           HB2      ASN 103   6.047  -5.009  -5.009
  769   2HB   ASN 103           HB1      ASN 103   7.773  -4.702  -4.702
  770   1HD2  ASN 103          HD22      ASN 103   7.571  -1.418  -1.418
  771   2HD2  ASN 103          HD21      ASN 103   8.529  -2.805  -2.805
  772    H    ALA 104           HN       ALA 104   5.666  -5.326  -5.326
  773    HA   ALA 104           HA       ALA 104   6.006  -8.151  -8.151
  774   1HB   ALA 104           HB2      ALA 104   3.653  -7.477  -7.477
  775   2HB   ALA 104           HB1      ALA 104   3.885  -6.971  -6.971
  776   3HB   ALA 104           HB3      ALA 104   4.052  -8.672  -8.672
  777    H    LEU 105           HN       LEU 105   5.739  -9.519  -9.519
  778    HA   LEU 105           HA       LEU 105   7.603  -8.348  -8.348
  779   1HB   LEU 105           HB1      LEU 105   7.535 -11.263 -11.263
  780   2HB   LEU 105           HB2      LEU 105   8.727 -10.441 -10.441
  781    HG   LEU 105           HG       LEU 105   8.321 -10.066 -10.066
  782   1HD1  LEU 105          HD12      LEU 105   9.608 -12.107 -12.107
  783   2HD1  LEU 105          HD11      LEU 105  10.912 -10.970 -10.970
  784   3HD1  LEU 105          HD13      LEU 105   9.915 -11.588 -11.588
  785   1HD2  LEU 105          HD21      LEU 105   9.219  -8.164  -8.164
  786   2HD2  LEU 105          HD23      LEU 105   9.731  -8.318  -8.318
  787   3HD2  LEU 105          HD22      LEU 105  10.722  -9.000  -9.000
  788    H    ASP 106           HN       ASP 106   7.506 -10.813 -10.813
  789    HA   ASP 106           HA       ASP 106   4.734 -10.981 -10.981
  790   1HB   ASP 106           HB1      ASP 106   6.441 -10.686 -10.686
  791   2HB   ASP 106           HB2      ASP 106   6.504  -9.257  -9.257
  792    H    SER 107           HN       SER 107   5.191 -12.315 -12.315
  793    HA   SER 107           HA       SER 107   5.480 -14.946 -14.946
  794   1HB   SER 107           HB2      SER 107   6.175 -14.068 -14.068
  795   2HB   SER 107           HB1      SER 107   5.376 -15.551 -15.551
  796    HG   SER 107           HG       SER 107   4.064 -13.728 -13.728
  797    H    THR 108           HN       THR 108   7.897 -12.625 -12.625
  798    HA   THR 108           HA       THR 108   9.977 -14.697 -14.697
  799    HB   THR 108           HB       THR 108  10.369 -11.841 -11.841
  800    HG1  THR 108           HG1      THR 108   9.809 -12.405 -12.405
  801   1HG2  THR 108          HG21      THR 108  12.369 -13.281 -13.281
  802   2HG2  THR 108          HG23      THR 108  11.829 -14.313 -14.313
  803   3HG2  THR 108          HG22      THR 108  12.253 -12.630 -12.630
  804    H    GLY 109           HN       GLY 109   8.597 -13.574 -13.574
  805   1HA   GLY 109           HA2      GLY 109   9.058 -12.599 -12.599
  806   2HA   GLY 109           HA1      GLY 109  10.578 -13.459 -13.459
  807    H    SER 110           HN       SER 110   9.385 -10.720 -10.720
  808    HA   SER 110           HA       SER 110  11.708  -9.179  -9.179
  809   1HB   SER 110           HB2      SER 110  10.258  -8.939  -8.939
  810   2HB   SER 110           HB1      SER 110  11.667  -8.003  -8.003
  811    HG   SER 110           HG       SER 110  11.505 -10.778 -10.778
  812    H    LEU 111           HN       LEU 111  11.395  -7.227  -7.227
  813    HA   LEU 111           HA       LEU 111   8.784  -6.444  -6.444
  814   1HB   LEU 111           HB2      LEU 111  11.536  -5.390  -5.390
  815   2HB   LEU 111           HB1      LEU 111  10.220  -4.253  -4.253
  816    HG   LEU 111           HG       LEU 111   9.485  -6.502  -6.502
  817   1HD1  LEU 111          HD13      LEU 111  11.830  -7.271  -7.271
  818   2HD1  LEU 111          HD12      LEU 111  12.359  -5.784  -5.784
  819   3HD1  LEU 111          HD11      LEU 111  11.362  -6.943  -6.943
  820   1HD2  LEU 111          HD21      LEU 111  10.533  -3.770  -3.770
  821   2HD2  LEU 111          HD23      LEU 111   8.892  -4.400  -4.400
  822   3HD2  LEU 111          HD22      LEU 111  10.145  -4.911  -4.911
  823    HA   PRO 112           HA       PRO 112   7.272  -3.708  -3.708
  824   1HB   PRO 112           HB2      PRO 112   7.261  -1.510  -1.510
  825   2HB   PRO 112           HB1      PRO 112   5.940  -2.133  -2.133
  826   1HG   PRO 112           HG1      PRO 112   6.070  -2.708  -2.708
  827   2HG   PRO 112           HG2      PRO 112   5.544  -3.927  -3.927
  828   1HD   PRO 112           HD2      PRO 112   8.173  -3.646  -3.646
  829   2HD   PRO 112           HD1      PRO 112   7.263  -5.114  -5.114
  830    H    ILE 113           HN       ILE 113   9.966  -2.646  -2.646
  831    HA   ILE 113           HA       ILE 113  10.714  -0.420  -0.420
  832    HB   ILE 113           HB       ILE 113  11.529  -0.430  -0.430
  833   1HG1  ILE 113          HG12      ILE 113  13.952  -0.250  -0.250
  834   2HG1  ILE 113          HG11      ILE 113  13.852  -1.162  -1.162
  835   1HG2  ILE 113          HG21      ILE 113  11.900  -3.235  -3.235
  836   2HG2  ILE 113          HG23      ILE 113  13.372  -2.532  -2.532
  837   3HG2  ILE 113          HG22      ILE 113  11.842  -2.363  -2.363
  838   1HD1  ILE 113          HD11      ILE 113  12.398   0.663   0.663
  839   2HD1  ILE 113          HD13      ILE 113  12.786   1.589   1.589
  840   3HD1  ILE 113          HD12      ILE 113  14.069   1.123   1.123
  841    H    HIS 114           HN       HIS 114  11.455  -3.843  -3.843
  842    HA   HIS 114           HA       HIS 114  13.635  -3.673  -3.673
  843   1HB   HIS 114           HB1      HIS 114  11.826  -6.046  -6.046
  844   2HB   HIS 114           HB2      HIS 114  13.459  -6.076  -6.076
  845    HD2  HIS 114           HD2      HIS 114  14.646  -4.024  -4.024
  846    HE1  HIS 114           HE1      HIS 114  13.614  -7.355  -7.355
  847    HE2  HIS 114           HE2      HIS 114  15.071  -5.287  -5.287
  848    H    LEU 115           HN       LEU 115  10.172  -3.852  -3.852
  849    HA   LEU 115           HA       LEU 115  10.146  -4.588  -4.588
  850   1HB   LEU 115           HB2      LEU 115   7.923  -2.958  -2.958
  851   2HB   LEU 115           HB1      LEU 115   7.871  -4.414  -4.414
  852    HG   LEU 115           HG       LEU 115   8.378  -4.239  -4.239
  853   1HD1  LEU 115          HD11      LEU 115   6.010  -4.096  -4.096
  854   2HD1  LEU 115          HD13      LEU 115   6.213  -5.846  -5.846
  855   3HD1  LEU 115          HD12      LEU 115   6.262  -5.026  -5.026
  856   1HD2  LEU 115          HD23      LEU 115   8.461  -6.619  -6.619
  857   2HD2  LEU 115          HD22      LEU 115   9.790  -5.969  -5.969
  858   3HD2  LEU 115          HD21      LEU 115   8.406  -6.716  -6.716
  859    H    ALA 116           HN       ALA 116   9.636  -1.454  -1.454
  860    HA   ALA 116           HA       ALA 116   9.384   0.133   0.133
  861   1HB   ALA 116           HB3      ALA 116   9.135   0.780   0.780
  862   2HB   ALA 116           HB2      ALA 116  10.877   1.058   1.058
  863   3HB   ALA 116           HB1      ALA 116   9.819   1.985   1.985
  864    H    ILE 117           HN       ILE 117  12.274  -1.096  -1.096
  865    HA   ILE 117           HA       ILE 117  14.217   0.393   0.393
  866    HB   ILE 117           HB       ILE 117  14.284  -2.425  -2.425
  867   1HG1  ILE 117          HG11      ILE 117  15.609   0.103   0.103
  868   2HG1  ILE 117          HG12      ILE 117  14.058  -0.491  -0.491
  869   1HG2  ILE 117          HG23      ILE 117  16.427  -0.854  -0.854
  870   2HG2  ILE 117          HG22      ILE 117  16.832  -2.053  -2.053
  871   3HG2  ILE 117          HG21      ILE 117  15.959  -2.540  -2.540
  872   1HD1  ILE 117          HD11      ILE 117  15.435  -2.676  -2.676
  873   2HD1  ILE 117          HD13      ILE 117  16.790  -1.548  -1.548
  874   3HD1  ILE 117          HD12      ILE 117  15.453  -1.327  -1.327
  875    H    ARG 118           HN       ARG 118  12.450  -2.485  -2.485
  876    HA   ARG 118           HA       ARG 118  13.998  -3.031  -3.031
  877   1HB   ARG 118           HB1      ARG 118  11.085  -3.677  -3.677
  878   2HB   ARG 118           HB2      ARG 118  12.436  -4.652  -4.652
  879   1HG   ARG 118           HG2      ARG 118  12.845  -4.306  -4.306
  880   2HG   ARG 118           HG1      ARG 118  11.125  -4.650  -4.650
  881   1HD   ARG 118           HD2      ARG 118  11.567  -6.687  -6.687
  882   2HD   ARG 118           HD1      ARG 118  13.277  -6.293  -6.293
  883    HE   ARG 118           HE       ARG 118  12.835  -6.338  -6.338
  884   1HH1  ARG 118          HH11      ARG 118  12.440  -8.575  -8.575
  885   2HH1  ARG 118          HH12      ARG 118  12.722  -9.979  -9.979
  886   1HH2  ARG 118          HH21      ARG 118  13.209  -8.183  -8.183
  887   2HH2  ARG 118          HH22      ARG 118  13.160  -9.756  -9.756
  888    H    GLU 119           HN       GLU 119  11.299  -0.901  -0.901
  889    HA   GLU 119           HA       GLU 119  10.886  -0.249  -0.249
  890   1HB   GLU 119           HB2      GLU 119   9.804   1.446   1.446
  891   2HB   GLU 119           HB1      GLU 119   9.044   0.914   0.914
  892   1HG   GLU 119           HG2      GLU 119   8.024  -0.737  -0.737
  893   2HG   GLU 119           HG1      GLU 119   9.565  -1.355  -1.355
  894    H    GLY 120           HN       GLY 120  12.019   1.526   1.526
  895   1HA   GLY 120           HA2      GLY 120  13.888   2.973   2.973
  896   2HA   GLY 120           HA1      GLY 120  13.819   3.059   3.059
  897    H    HIS 121           HN       HIS 121  10.866   3.436   3.436
  898    HA   HIS 121           HA       HIS 121  10.127   5.827   5.827
  899   1HB   HIS 121           HB2      HIS 121   9.416   4.690   4.690
  900   2HB   HIS 121           HB1      HIS 121   8.617   6.093   6.093
  901    HD2  HIS 121           HD2      HIS 121   8.220   2.370   2.370
  902    HE1  HIS 121           HE1      HIS 121   6.119   3.683   3.683
  903    HE2  HIS 121           HE2      HIS 121   6.403   1.797   1.797
  904    H    SER 122           HN       SER 122  12.415   5.288   5.288
  905    HA   SER 122           HA       SER 122  13.962   6.736   6.736
  906   1HB   SER 122           HB2      SER 122  13.286   8.121   8.121
  907   2HB   SER 122           HB1      SER 122  12.560   9.181   9.181
  908    HG   SER 122           HG       SER 122  14.765   8.910   8.910
  909    H    SER 123           HN       SER 123  10.816   8.420   8.420
  910    HA   SER 123           HA       SER 123  11.090   9.309   9.309
  911   1HB   SER 123           HB2      SER 123   8.829   9.273   9.273
  912   2HB   SER 123           HB1      SER 123   8.546   9.751   9.751
  913    HG   SER 123           HG       SER 123   9.539  11.214  11.214
  914    H    VAL 124           HN       VAL 124   9.627   6.527   6.527
  915    HA   VAL 124           HA       VAL 124   8.191   5.640   5.640
  916    HB   VAL 124           HB       VAL 124   9.052   3.984   3.984
  917   1HG1  VAL 124          HG13      VAL 124   7.563   3.416   3.416
  918   2HG1  VAL 124          HG12      VAL 124   6.538   3.208   3.208
  919   3HG1  VAL 124          HG11      VAL 124   8.058   2.325   2.325
  920   1HG2  VAL 124          HG22      VAL 124   7.827   6.063   6.063
  921   2HG2  VAL 124          HG21      VAL 124   6.997   4.570   4.570
  922   3HG2  VAL 124          HG23      VAL 124   6.467   5.495   5.495
  923    H    VAL 125           HN       VAL 125  11.103   4.387   4.387
  924    HA   VAL 125           HA       VAL 125  11.795   2.438   2.438
  925    HB   VAL 125           HB       VAL 125  14.213   2.968   2.968
  926   1HG1  VAL 125          HG21      VAL 125  11.960   2.096   2.096
  927   2HG1  VAL 125          HG23      VAL 125  13.614   2.139   2.139
  928   3HG1  VAL 125          HG22      VAL 125  13.211   1.123   1.123
  929   1HG2  VAL 125          HG11      VAL 125  12.781   5.198   5.198
  930   2HG2  VAL 125          HG13      VAL 125  14.518   4.913   4.913
  931   3HG2  VAL 125          HG12      VAL 125  13.600   4.263   4.263
  932    H    SER 126           HN       SER 126  13.212   5.718   5.718
  933    HA   SER 126           HA       SER 126  14.632   5.571   5.571
  934   1HB   SER 126           HB2      SER 126  15.130   7.392   7.392
  935   2HB   SER 126           HB1      SER 126  13.442   7.894   7.894
  936    HG   SER 126           HG       SER 126  14.662   9.230   9.230
  937    H    PHE 127           HN       PHE 127  11.263   6.121   6.121
  938    HA   PHE 127           HA       PHE 127  10.660   7.136   7.136
  939   1HB   PHE 127           HB2      PHE 127   9.079   7.706   7.706
  940   2HB   PHE 127           HB1      PHE 127   9.008   6.063   6.063
  941    HD1  PHE 127           HD1      PHE 127   8.270   7.984   7.984
  942    HD2  PHE 127           HD2      PHE 127   7.224   4.724   4.724
  943    HE1  PHE 127           HE1      PHE 127   6.291   7.535   7.535
  944    HE2  PHE 127           HE2      PHE 127   5.241   4.270   4.270
  945    HZ   PHE 127           HZ       PHE 127   4.773   5.677   5.677
  946    H    LEU 128           HN       LEU 128  10.099   3.979   3.979
  947    HA   LEU 128           HA       LEU 128   9.124   2.690   2.690
  948   1HB   LEU 128           HB2      LEU 128   9.603   2.024   2.024
  949   2HB   LEU 128           HB1      LEU 128  10.495   0.856   0.856
  950    HG   LEU 128           HG       LEU 128   8.336  -0.061  -0.061
  951   1HD1  LEU 128          HD12      LEU 128   8.758   0.886   0.886
  952   2HD1  LEU 128          HD11      LEU 128   7.352  -0.090  -0.090
  953   3HD1  LEU 128          HD13      LEU 128   8.977  -0.727  -0.727
  954   1HD2  LEU 128          HD21      LEU 128   7.252   2.142   2.142
  955   2HD2  LEU 128          HD23      LEU 128   6.271   1.027   1.027
  956   3HD2  LEU 128          HD22      LEU 128   7.097   2.369   2.369
  957    H    ALA 129           HN       ALA 129  12.231   3.752   3.752
  958    HA   ALA 129           HA       ALA 129  13.863   1.755   1.755
  959   1HB   ALA 129           HB3      ALA 129  14.151   4.520   4.520
  960   2HB   ALA 129           HB2      ALA 129  15.119   4.150   4.150
  961   3HB   ALA 129           HB1      ALA 129  15.324   3.204   3.204
  962    HA   PRO 130           HA       PRO 130  13.763   3.912   3.912
  963   1HB   PRO 130           HB1      PRO 130  12.281   6.162   6.162
  964   2HB   PRO 130           HB2      PRO 130  13.959   6.188   6.188
  965   1HG   PRO 130           HG1      PRO 130  11.432   6.349   6.349
  966   2HG   PRO 130           HG2      PRO 130  12.920   7.300   7.300
  967   1HD   PRO 130           HD2      PRO 130  12.353   5.204   5.204
  968   2HD   PRO 130           HD1      PRO 130  14.013   5.624   5.624
  969    H    GLU 131           HN       GLU 131  10.751   4.108   4.108
  970    HA   GLU 131           HA       GLU 131   8.960   3.811   3.811
  971   1HB   GLU 131           HB1      GLU 131   8.688   2.993   2.993
  972   2HB   GLU 131           HB2      GLU 131   7.362   3.000   3.000
  973   1HG   GLU 131           HG2      GLU 131   8.941   5.490   5.490
  974   2HG   GLU 131           HG1      GLU 131   7.745   5.015   5.015
  975    H    SER 132           HN       SER 132  11.185   1.618   1.618
  976    HA   SER 132           HA       SER 132   9.785  -0.625  -0.625
  977   1HB   SER 132           HB1      SER 132  11.717  -0.879  -0.879
  978   2HB   SER 132           HB2      SER 132  10.699  -2.142  -2.142
  979    HG   SER 132           HG       SER 132  10.079  -0.176  -0.176
  980    H    ASP 133           HN       ASP 133  10.968  -1.981  -1.981
  981    HA   ASP 133           HA       ASP 133  12.927  -1.057  -1.057
  982   1HB   ASP 133           HB1      ASP 133  13.572  -3.803  -3.803
  983   2HB   ASP 133           HB2      ASP 133  11.822  -3.615  -3.615
  984    H    LEU 134           HN       LEU 134  14.574   0.124   0.124
  985    HA   LEU 134           HA       LEU 134  16.076  -0.595  -0.595
  986   1HB   LEU 134           HB2      LEU 134  16.379   1.392   1.392
  987   2HB   LEU 134           HB1      LEU 134  17.717   1.111   1.111
  988    HG   LEU 134           HG       LEU 134  14.957   1.971   1.971
  989   1HD1  LEU 134          HD13      LEU 134  17.254   3.469   3.469
  990   2HD1  LEU 134          HD12      LEU 134  16.695   4.004   4.004
  991   3HD1  LEU 134          HD11      LEU 134  15.578   3.973   3.973
  992   1HD2  LEU 134          HD22      LEU 134  16.283   0.656   0.656
  993   2HD2  LEU 134          HD21      LEU 134  15.906   2.299   2.299
  994   3HD2  LEU 134          HD23      LEU 134  17.521   1.908   1.908
  995    H    HIS 135           HN       HIS 135  16.311  -2.909  -2.909
  996    HA   HIS 135           HA       HIS 135  19.010  -3.388  -3.388
  997   1HB   HIS 135           HB1      HIS 135  18.066  -2.539  -2.539
  998   2HB   HIS 135           HB2      HIS 135  17.311  -4.126  -4.126
  999    HD2  HIS 135           HD2      HIS 135  19.399  -6.254  -6.254
 1000    HE1  HIS 135           HE1      HIS 135  22.174  -3.845  -3.845
 1001    HE2  HIS 135           HE2      HIS 135  21.743  -6.137  -6.137
 1002    H    HIS 136           HN       HIS 136  15.717  -4.622  -4.622
 1003    HA   HIS 136           HA       HIS 136  16.215  -7.344  -7.344
 1004   1HB   HIS 136           HB1      HIS 136  13.921  -7.573  -7.573
 1005   2HB   HIS 136           HB2      HIS 136  13.998  -6.474  -6.474
 1006    HD2  HIS 136           HD2      HIS 136  14.736  -5.454  -5.454
 1007    HE1  HIS 136           HE1      HIS 136  11.402  -3.295  -3.295
 1008    HE2  HIS 136           HE2      HIS 136  13.103  -3.481  -3.481
 1009    H    ARG 137           HN       ARG 137  15.305  -8.713  -8.713
 1010    HA   ARG 137           HA       ARG 137  16.502  -7.728  -7.728
 1011   1HB   ARG 137           HB1      ARG 137  16.985 -10.542 -10.542
 1012   2HB   ARG 137           HB2      ARG 137  17.792  -9.678  -9.678
 1013   1HG   ARG 137           HG2      ARG 137  19.236  -8.651  -8.651
 1014   2HG   ARG 137           HG1      ARG 137  18.048  -8.494  -8.494
 1015   1HD   ARG 137           HD1      ARG 137  18.798 -10.326 -10.326
 1016   2HD   ARG 137           HD2      ARG 137  18.683 -11.263 -11.263
 1017    HE   ARG 137           HE       ARG 137  20.963  -9.594  -9.594
 1018   1HH1  ARG 137          HH21      ARG 137  19.738 -12.493 -12.493
 1019   2HH1  ARG 137          HH22      ARG 137  21.306 -13.199 -13.199
 1020   1HH2  ARG 137          HH11      ARG 137  23.030 -10.514 -10.514
 1021   2HH2  ARG 137          HH12      ARG 137  23.178 -12.073 -12.073
 1022    H    ASP 138           HN       ASP 138  16.179 -10.033 -10.033
 1023    HA   ASP 138           HA       ASP 138  13.287 -10.559 -10.559
 1024   1HB   ASP 138           HB1      ASP 138  13.439 -10.591 -10.591
 1025   2HB   ASP 138           HB2      ASP 138  13.357  -9.039  -9.039
 1026    H    ALA 139           HN       ALA 139  12.773 -12.372 -12.372
 1027    HA   ALA 139           HA       ALA 139  14.136 -14.702 -14.702
 1028   1HB   ALA 139           HB3      ALA 139  12.041 -14.281 -14.281
 1029   2HB   ALA 139           HB2      ALA 139  12.667 -15.867 -15.867
 1030   3HB   ALA 139           HB1      ALA 139  11.813 -14.886 -14.886
 1031    H    SER 140           HN       SER 140  14.907 -12.458 -12.458
 1032    HA   SER 140           HA       SER 140  16.401 -14.413 -14.413
 1033   1HB   SER 140           HB1      SER 140  16.390 -12.880 -12.880
 1034   2HB   SER 140           HB2      SER 140  14.783 -12.717 -12.717
 1035    HG   SER 140           HG       SER 140  15.905 -10.961 -10.961
 1036    H    GLY 141           HN       GLY 141  16.783 -12.210 -12.210
 1037   1HA   GLY 141           HA2      GLY 141  18.680 -11.549 -11.549
 1038   2HA   GLY 141           HA1      GLY 141  19.624 -12.503 -12.503
 1039    H    LEU 142           HN       LEU 142  17.594  -9.569  -9.569
 1040    HA   LEU 142           HA       LEU 142  19.850  -8.015  -8.015
 1041   1HB   LEU 142           HB2      LEU 142  17.431  -8.345  -8.345
 1042   2HB   LEU 142           HB1      LEU 142  18.808  -7.306  -7.306
 1043    HG   LEU 142           HG       LEU 142  18.936 -10.319 -10.319
 1044   1HD1  LEU 142          HD11      LEU 142  17.672  -9.123  -9.123
 1045   2HD1  LEU 142          HD13      LEU 142  19.308  -8.773  -8.773
 1046   3HD1  LEU 142          HD12      LEU 142  18.794 -10.444 -10.444
 1047   1HD2  LEU 142          HD22      LEU 142  20.981  -8.802  -8.802
 1048   2HD2  LEU 142          HD21      LEU 142  21.170 -10.180 -10.180
 1049   3HD2  LEU 142          HD23      LEU 142  21.018  -8.552  -8.552
 1050    H    THR 143           HN       THR 143  19.423  -6.852  -6.852
 1051    HA   THR 143           HA       THR 143  16.893  -5.656  -5.656
 1052    HB   THR 143           HB       THR 143  17.832  -4.921  -4.921
 1053    HG1  THR 143           HG1      THR 143  19.553  -3.682  -3.682
 1054   1HG2  THR 143          HG21      THR 143  18.625  -7.296  -7.296
 1055   2HG2  THR 143          HG23      THR 143  20.192  -6.610  -6.610
 1056   3HG2  THR 143          HG22      THR 143  19.512  -6.316  -6.316
 1057    HA   PRO 144           HA       PRO 144  16.800  -1.600  -1.600
 1058   1HB   PRO 144           HB2      PRO 144  18.272  -0.376  -0.376
 1059   2HB   PRO 144           HB1      PRO 144  16.787   0.158   0.158
 1060   1HG   PRO 144           HG1      PRO 144  16.686  -1.082  -1.082
 1061   2HG   PRO 144           HG2      PRO 144  15.480  -1.420  -1.420
 1062   1HD   PRO 144           HD2      PRO 144  17.785  -3.070  -3.070
 1063   2HD   PRO 144           HD1      PRO 144  16.198  -3.585  -3.585
 1064    H    LEU 145           HN       LEU 145  19.867  -1.475  -1.475
 1065    HA   LEU 145           HA       LEU 145  21.275  -0.139  -0.139
 1066   1HB   LEU 145           HB1      LEU 145  22.044  -0.029  -0.029
 1067   2HB   LEU 145           HB2      LEU 145  22.238  -1.769  -1.769
 1068    HG   LEU 145           HG       LEU 145  24.163  -1.730  -1.730
 1069   1HD1  LEU 145          HD22      LEU 145  22.957   0.679   0.679
 1070   2HD1  LEU 145          HD21      LEU 145  24.680   0.880   0.880
 1071   3HD1  LEU 145          HD23      LEU 145  24.121  -0.425  -0.425
 1072   1HD2  LEU 145          HD11      LEU 145  24.134   0.612   0.612
 1073   2HD2  LEU 145          HD13      LEU 145  24.742  -1.017  -1.017
 1074   3HD2  LEU 145          HD12      LEU 145  25.594   0.057   0.057
 1075    H    GLU 146           HN       GLU 146  20.750  -3.529  -3.529
 1076    HA   GLU 146           HA       GLU 146  22.763  -4.561  -4.561
 1077   1HB   GLU 146           HB2      GLU 146  20.488  -5.618  -5.618
 1078   2HB   GLU 146           HB1      GLU 146  20.828  -6.509  -6.509
 1079   1HG   GLU 146           HG1      GLU 146  21.960  -7.229  -7.229
 1080   2HG   GLU 146           HG2      GLU 146  22.914  -7.175  -7.175
 1081    H    LEU 147           HN       LEU 147  19.237  -4.793  -4.793
 1082    HA   LEU 147           HA       LEU 147  19.351  -5.366  -5.366
 1083   1HB   LEU 147           HB2      LEU 147  17.338  -5.245  -5.245
 1084   2HB   LEU 147           HB1      LEU 147  17.143  -3.636  -3.636
 1085    HG   LEU 147           HG       LEU 147  16.903  -4.604  -4.604
 1086   1HD1  LEU 147          HD22      LEU 147  18.000  -6.898  -6.898
 1087   2HD1  LEU 147          HD21      LEU 147  16.387  -7.315  -7.315
 1088   3HD1  LEU 147          HD23      LEU 147  17.585  -6.662  -6.662
 1089   1HD2  LEU 147          HD13      LEU 147  15.060  -4.674  -4.674
 1090   2HD2  LEU 147          HD12      LEU 147  14.716  -4.719  -4.719
 1091   3HD2  LEU 147          HD11      LEU 147  14.888  -6.223  -6.223
 1092    H    ALA 148           HN       ALA 148  19.122  -2.209  -2.209
 1093    HA   ALA 148           HA       ALA 148  18.911  -0.600  -0.600
 1094   1HB   ALA 148           HB2      ALA 148  18.685   0.130   0.130
 1095   2HB   ALA 148           HB1      ALA 148  20.446   0.121   0.121
 1096   3HB   ALA 148           HB3      ALA 148  19.635   1.214   1.214
 1097    H    ARG 149           HN       ARG 149  21.741  -2.031  -2.031
 1098    HA   ARG 149           HA       ARG 149  23.691  -0.679  -0.679
 1099   1HB   ARG 149           HB1      ARG 149  24.431  -1.729  -1.729
 1100   2HB   ARG 149           HB2      ARG 149  23.722  -3.272  -3.272
 1101   1HG   ARG 149           HG2      ARG 149  26.231  -3.099  -3.099
 1102   2HG   ARG 149           HG1      ARG 149  25.392  -3.677  -3.677
 1103   1HD   ARG 149           HD2      ARG 149  26.287  -2.038  -2.038
 1104   2HD   ARG 149           HD1      ARG 149  25.546  -0.842  -0.842
 1105    HE   ARG 149           HE       ARG 149  27.770  -1.681  -1.681
 1106   1HH1  ARG 149          HH21      ARG 149  27.153  -0.318  -0.318
 1107   2HH1  ARG 149          HH22      ARG 149  28.691   0.472   0.472
 1108   1HH2  ARG 149          HH11      ARG 149  29.799  -0.643  -0.643
 1109   2HH2  ARG 149          HH12      ARG 149  30.195   0.287   0.287
 1110    H    GLN 150           HN       GLN 150  21.974  -3.739  -3.739
 1111    HA   GLN 150           HA       GLN 150  23.346  -4.622  -4.622
 1112   1HB   GLN 150           HB1      GLN 150  22.086  -6.258  -6.258
 1113   2HB   GLN 150           HB2      GLN 150  20.655  -5.241  -5.241
 1114   1HG   GLN 150           HG1      GLN 150  20.138  -6.851  -6.851
 1115   2HG   GLN 150           HG2      GLN 150  20.610  -5.445  -5.445
 1116   1HE2  GLN 150          HE22      GLN 150  22.617  -8.918  -8.918
 1117   2HE2  GLN 150          HE21      GLN 150  21.239  -8.707  -8.707
 1118    H    ARG 151           HN       ARG 151  19.920  -3.702  -3.702
 1119    HA   ARG 151           HA       ARG 151  20.096  -2.774  -2.774
 1120   1HB   ARG 151           HB2      ARG 151  17.797  -2.234  -2.234
 1121   2HB   ARG 151           HB1      ARG 151  17.764  -2.438  -2.438
 1122   1HG   ARG 151           HG2      ARG 151  18.638  -4.848  -4.848
 1123   2HG   ARG 151           HG1      ARG 151  17.856  -4.480  -4.480
 1124   1HD   ARG 151           HD1      ARG 151  15.951  -5.148  -5.148
 1125   2HD   ARG 151           HD2      ARG 151  16.012  -3.668  -3.668
 1126    HE   ARG 151           HE       ARG 151  17.459  -5.935  -5.935
 1127   1HH1  ARG 151          HH11      ARG 151  14.508  -4.087  -4.087
 1128   2HH1  ARG 151          HH12      ARG 151  13.974  -4.656  -4.656
 1129   1HH2  ARG 151          HH21      ARG 151  16.766  -6.692  -6.692
 1130   2HH2  ARG 151          HH22      ARG 151  15.257  -6.138  -6.138
 1131    H    GLY 152           HN       GLY 152  21.951  -1.325  -1.325
 1132   1HA   GLY 152           HA1      GLY 152  21.244   1.044   1.044
 1133   2HA   GLY 152           HA2      GLY 152  22.728   0.779   0.779
 1134    H    ALA 153           HN       ALA 153  19.291   1.006   1.006
 1135    HA   ALA 153           HA       ALA 153  19.356   1.976   1.976
 1136   1HB   ALA 153           HB3      ALA 153  17.587   2.539   2.539
 1137   2HB   ALA 153           HB2      ALA 153  17.463   3.643   3.643
 1138   3HB   ALA 153           HB1      ALA 153  17.204   1.914   1.914
 1139    H    GLN 154           HN       GLN 154  20.333   3.742   3.742
 1140    HA   GLN 154           HA       GLN 154  22.075   5.449   5.449
 1141   1HB   GLN 154           HB1      GLN 154  20.598   7.614   7.614
 1142   2HB   GLN 154           HB2      GLN 154  20.524   6.648   6.648
 1143   1HG   GLN 154           HG1      GLN 154  18.314   7.380   7.380
 1144   2HG   GLN 154           HG2      GLN 154  18.482   5.641   5.641
 1145   1HE2  GLN 154          HE22      GLN 154  17.977   4.819   4.819
 1146   2HE2  GLN 154          HE21      GLN 154  18.382   4.290   4.290
 1147    H    ASN 155           HN       ASN 155  20.251   7.497   7.497
 1148    HA   ASN 155           HA       ASN 155  22.160   7.286   7.286
 1149   1HB   ASN 155           HB1      ASN 155  20.118   9.140   9.140
 1150   2HB   ASN 155           HB2      ASN 155  19.976   8.819   8.819
 1151   1HD2  ASN 155          HD22      ASN 155  22.418  11.594  11.594
 1152   2HD2  ASN 155          HD21      ASN 155  20.860  11.208  11.208
 1153    H    LEU 156           HN       LEU 156  19.785   5.212   5.212
 1154    HA   LEU 156           HA       LEU 156  18.167   4.897   4.897
 1155   1HB   LEU 156           HB1      LEU 156  18.988   3.324   3.324
 1156   2HB   LEU 156           HB2      LEU 156  19.015   2.309   2.309
 1157    HG   LEU 156           HG       LEU 156  16.683   3.752   3.752
 1158   1HD1  LEU 156          HD13      LEU 156  17.608   1.246   1.246
 1159   2HD1  LEU 156          HD12      LEU 156  16.504   0.973   0.973
 1160   3HD1  LEU 156          HD11      LEU 156  15.911   1.707   1.707
 1161   1HD2  LEU 156          HD23      LEU 156  17.061   2.824   2.824
 1162   2HD2  LEU 156          HD22      LEU 156  16.278   4.284   4.284
 1163   3HD2  LEU 156          HD21      LEU 156  15.469   2.724   2.724
 1164    H    MET 157           HN       MET 157  21.272   3.197   3.197
 1165    HA   MET 157           HA       MET 157  21.445   1.984   1.984
 1166   1HB   MET 157           HB1      MET 157  23.646   1.529   1.529
 1167   2HB   MET 157           HB2      MET 157  22.968   1.852   1.852
 1168   1HG   MET 157           HG2      MET 157  24.911   3.058   3.058
 1169   2HG   MET 157           HG1      MET 157  23.754   4.282   4.282
 1170   1HE   MET 157           HE2      MET 157  26.235   1.589   1.589
 1171   2HE   MET 157           HE1      MET 157  26.649   2.103   2.103
 1172   3HE   MET 157           HE3      MET 157  25.047   1.447   1.447
 1173    H    ASP 158           HN       ASP 158  22.110   5.295   5.295
 1174    HA   ASP 158           HA       ASP 158  23.425   5.994   5.994
 1175   1HB   ASP 158           HB1      ASP 158  22.943   7.228   7.228
 1176   2HB   ASP 158           HB2      ASP 158  22.246   8.279   8.279
 1177    H    ILE 159           HN       ILE 159  20.203   6.787   6.787
 1178    HA   ILE 159           HA       ILE 159  19.206   8.136   8.136
 1179    HB   ILE 159           HB       ILE 159  17.081   6.499   6.499
 1180   1HG1  ILE 159          HG12      ILE 159  18.702   7.757   7.757
 1181   2HG1  ILE 159          HG11      ILE 159  18.639   6.028   6.028
 1182   1HG2  ILE 159          HG21      ILE 159  17.870   9.342   9.342
 1183   2HG2  ILE 159          HG23      ILE 159  16.639   8.871   8.871
 1184   3HG2  ILE 159          HG22      ILE 159  16.382   8.566   8.566
 1185   1HD1  ILE 159          HD13      ILE 159  16.158   6.166   6.166
 1186   2HD1  ILE 159          HD12      ILE 159  16.414   7.810   7.810
 1187   3HD1  ILE 159          HD11      ILE 159  17.151   6.447   6.447
 1188    H    LEU 160           HN       LEU 160  19.500   4.684   4.684
 1189    HA   LEU 160           HA       LEU 160  17.970   3.931   3.931
 1190   1HB   LEU 160           HB1      LEU 160  19.945   2.380   2.380
 1191   2HB   LEU 160           HB2      LEU 160  18.935   1.687   1.687
 1192    HG   LEU 160           HG       LEU 160  18.318   1.868   1.868
 1193   1HD1  LEU 160          HD11      LEU 160  17.430   0.425   0.425
 1194   2HD1  LEU 160          HD13      LEU 160  16.182   1.662   1.662
 1195   3HD1  LEU 160          HD12      LEU 160  16.374   0.755   0.755
 1196   1HD2  LEU 160          HD23      LEU 160  16.817   4.005   4.005
 1197   2HD2  LEU 160          HD22      LEU 160  17.838   4.203   4.203
 1198   3HD2  LEU 160          HD21      LEU 160  16.312   3.326   3.326
 1199    H    GLN 161           HN       GLN 161  21.353   4.581   4.581
 1200    HA   GLN 161           HA       GLN 161  22.311   3.519   3.519
 1201   1HB   GLN 161           HB2      GLN 161  23.425   4.801   4.801
 1202   2HB   GLN 161           HB1      GLN 161  24.156   5.414   5.414
 1203   1HG   GLN 161           HG2      GLN 161  24.265   2.812   2.812
 1204   2HG   GLN 161           HG1      GLN 161  24.296   2.725   2.725
 1205   1HE2  GLN 161          HE22      GLN 161  27.317   4.875   4.875
 1206   2HE2  GLN 161          HE21      GLN 161  25.686   5.063   5.063
 1207    H    GLY 162           HN       GLY 162  21.761   6.840   6.840
 1208   1HA   GLY 162           HA2      GLY 162  22.454   8.115   8.115
 1209   2HA   GLY 162           HA1      GLY 162  21.477   8.814   8.814
 1210    H    HIS 163           HN       HIS 163  19.345   6.949   6.949
 1211    HA   HIS 163           HA       HIS 163  17.720   8.095   8.095
 1212   1HB   HIS 163           HB1      HIS 163  17.453   5.988   5.988
 1213   2HB   HIS 163           HB2      HIS 163  16.403   5.781   5.781
 1214    HD2  HIS 163           HD2      HIS 163  16.856   8.110   8.110
 1215    HE1  HIS 163           HE1      HIS 163  13.344   9.239   9.239
 1216    HE2  HIS 163           HE2      HIS 163  14.641   9.458   9.458
 1217    H    MET 164           HN       MET 164  19.719   5.232   5.232
 1218    HA   MET 164           HA       MET 164  18.688   3.716   3.716
 1219   1HB   MET 164           HB1      MET 164  21.230   4.013   4.013
 1220   2HB   MET 164           HB2      MET 164  21.490   3.920   3.920
 1221   1HG   MET 164           HG2      MET 164  20.467   1.807   1.807
 1222   2HG   MET 164           HG1      MET 164  19.787   1.942   1.942
 1223   1HE   MET 164           HE3      MET 164  20.310   0.246   0.246
 1224   2HE   MET 164           HE2      MET 164  21.445   0.991   0.991
 1225   3HE   MET 164           HE1      MET 164  21.864  -0.522  -0.522
 1226    H    MET 165           HN       MET 165  21.453   5.752   5.752
 1227    HA   MET 165           HA       MET 165  20.485   7.578   7.578
 1228   1HB   MET 165           HB2      MET 165  19.142   6.153   6.153
 1229   2HB   MET 165           HB1      MET 165  20.343   4.868   4.868
 1230   1HG   MET 165           HG2      MET 165  21.767   6.265   6.265
 1231   2HG   MET 165           HG1      MET 165  20.463   7.449   7.449
 1232   1HE   MET 165           HE2      MET 165  20.668   7.243   7.243
 1233   2HE   MET 165           HE1      MET 165  20.466   5.726   5.726
 1234   3HE   MET 165           HE3      MET 165  21.885   5.975   5.975
 1235    H    ILE 166           HN       ILE 166  22.799   5.080   5.080
 1236    HA   ILE 166           HA       ILE 166  24.996   4.826   4.826
 1237    HB   ILE 166           HB       ILE 166  25.058   7.700   7.700
 1238   1HG1  ILE 166          HG12      ILE 166  25.317   5.183   5.183
 1239   2HG1  ILE 166          HG11      ILE 166  23.871   6.186   6.186
 1240   1HG2  ILE 166          HG21      ILE 166  27.084   6.344   6.344
 1241   2HG2  ILE 166          HG23      ILE 166  27.258   5.813   5.813
 1242   3HG2  ILE 166          HG22      ILE 166  27.308   7.533   7.533
 1243   1HD1  ILE 166          HD11      ILE 166  26.563   7.122   7.122
 1244   2HD1  ILE 166          HD13      ILE 166  25.237   6.605   6.605
 1245   3HD1  ILE 166          HD12      ILE 166  25.056   8.035   8.035
 1246    HA   PRO 167           HA       PRO 167  24.879   6.675   6.675
 1247   1HB   PRO 167           HB2      PRO 167  26.192   4.644   4.644
 1248   2HB   PRO 167           HB1      PRO 167  24.468   4.568   4.568
 1249   1HG   PRO 167           HG1      PRO 167  26.790   3.388   3.388
 1250   2HG   PRO 167           HG2      PRO 167  25.209   2.669   2.669
 1251   1HD   PRO 167           HD1      PRO 167  25.844   3.756   3.756
 1252   2HD   PRO 167           HD2      PRO 167  24.192   3.726   3.726
 1253    H    MET 168           HN       MET 168  26.497   7.567   7.567
 1254    HA   MET 168           HA       MET 168  29.188   7.208   7.208
 1255   1HB   MET 168           HB2      MET 168  29.855   9.190   9.190
 1256   2HB   MET 168           HB1      MET 168  29.592   7.588   7.588
 1257   1HG   MET 168           HG1      MET 168  27.608   8.182   8.182
 1258   2HG   MET 168           HG2      MET 168  27.327   9.519   9.519
 1259   1HE   MET 168           HE1      MET 168  29.026  11.325  11.325
 1260   2HE   MET 168           HE3      MET 168  29.886  12.120  12.120
 1261   3HE   MET 168           HE2      MET 168  28.133  12.269  12.269

  Start of MODEL    8
    1   1H    GLY   1           HT3      GLY   1 -31.856 -21.076 -21.076
    2   2H    GLY   1           HT2      GLY   1 -30.441 -22.000 -22.000
    3   3H    GLY   1           HT1      GLY   1 -31.203 -21.691 -21.691
    4   1HA   GLY   1           HA2      GLY   1 -30.581 -19.462 -19.462
    5   2HA   GLY   1           HA1      GLY   1 -29.149 -20.332 -20.332
    6    H    SER   2           HN       SER   2 -30.168 -20.864 -20.864
    7    HA   SER   2           HA       SER   2 -29.243 -18.542 -18.542
    8   1HB   SER   2           HB2      SER   2 -29.867 -21.197 -21.197
    9   2HB   SER   2           HB1      SER   2 -30.850 -20.157 -20.157
   10    HG   SER   2           HG       SER   2 -28.648 -18.978 -18.978
   11    H    MET   3           HN       MET   3 -30.726 -17.038 -17.038
   12    HA   MET   3           HA       MET   3 -32.695 -16.048 -16.048
   13   1HB   MET   3           HB2      MET   3 -33.642 -18.134 -18.134
   14   2HB   MET   3           HB1      MET   3 -34.235 -16.664 -16.664
   15   1HG   MET   3           HG1      MET   3 -35.495 -16.059 -16.059
   16   2HG   MET   3           HG2      MET   3 -34.554 -17.063 -17.063
   17   1HE   MET   3           HE1      MET   3 -37.230 -16.993 -16.993
   18   2HE   MET   3           HE3      MET   3 -37.619 -18.702 -18.702
   19   3HE   MET   3           HE2      MET   3 -36.036 -18.095 -18.095
   20    H    LEU   4           HN       LEU   4 -33.170 -13.953 -13.953
   21    HA   LEU   4           HA       LEU   4 -33.218 -11.961 -11.961
   22   1HB   LEU   4           HB2      LEU   4 -33.672 -13.828 -13.828
   23   2HB   LEU   4           HB1      LEU   4 -32.341 -12.864 -12.864
   24    HG   LEU   4           HG       LEU   4 -34.699 -11.421 -11.421
   25   1HD1  LEU   4          HD22      LEU   4 -35.458 -13.357 -13.357
   26   2HD1  LEU   4          HD21      LEU   4 -34.754 -12.399 -12.399
   27   3HD1  LEU   4          HD23      LEU   4 -36.062 -11.732 -11.732
   28   1HD2  LEU   4          HD13      LEU   4 -32.506 -10.967 -10.967
   29   2HD2  LEU   4          HD12      LEU   4 -33.200  -9.884  -9.884
   30   3HD2  LEU   4          HD11      LEU   4 -34.044 -10.165 -10.165
   31    H    LEU   5           HN       LEU   5 -30.802 -13.255 -13.255
   32    HA   LEU   5           HA       LEU   5 -28.831 -11.503 -11.503
   33   1HB   LEU   5           HB1      LEU   5 -28.007 -14.196 -14.196
   34   2HB   LEU   5           HB2      LEU   5 -27.166 -13.135 -13.135
   35    HG   LEU   5           HG       LEU   5 -29.705 -14.630 -14.630
   36   1HD1  LEU   5          HD12      LEU   5 -27.007 -15.549 -15.549
   37   2HD1  LEU   5          HD11      LEU   5 -27.523 -15.536 -15.536
   38   3HD1  LEU   5          HD13      LEU   5 -28.456 -16.429 -16.429
   39   1HD2  LEU   5          HD21      LEU   5 -28.415 -12.439 -12.439
   40   2HD2  LEU   5          HD23      LEU   5 -29.801 -13.366 -13.366
   41   3HD2  LEU   5          HD22      LEU   5 -28.166 -13.857 -13.857
   42    H    GLU   6           HN       GLU   6 -27.325 -10.584 -10.584
   43    HA   GLU   6           HA       GLU   6 -27.663 -11.149 -11.149
   44   1HB   GLU   6           HB2      GLU   6 -28.605  -8.903  -8.903
   45   2HB   GLU   6           HB1      GLU   6 -26.930  -8.399  -8.399
   46   1HG   GLU   6           HG1      GLU   6 -27.569  -9.563  -9.563
   47   2HG   GLU   6           HG2      GLU   6 -28.998  -8.633  -8.633
   48    H    GLU   7           HN       GLU   7 -25.797 -10.549 -10.549
   49    HA   GLU   7           HA       GLU   7 -23.267 -10.512 -10.512
   50   1HB   GLU   7           HB1      GLU   7 -22.351 -12.046 -12.046
   51   2HB   GLU   7           HB2      GLU   7 -23.460 -12.778 -12.778
   52   1HG   GLU   7           HG2      GLU   7 -24.020 -13.591 -13.591
   53   2HG   GLU   7           HG1      GLU   7 -25.283 -12.462 -12.462
   54    H    VAL   8           HN       VAL   8 -21.382 -10.063 -10.063
   55    HA   VAL   8           HA       VAL   8 -20.391  -8.311  -8.311
   56    HB   VAL   8           HB       VAL   8 -20.880  -9.995  -9.995
   57   1HG1  VAL   8          HG11      VAL   8 -23.347  -9.840  -9.840
   58   2HG1  VAL   8          HG13      VAL   8 -23.263  -8.257  -8.257
   59   3HG1  VAL   8          HG12      VAL   8 -22.739  -9.695  -9.695
   60   1HG2  VAL   8          HG23      VAL   8 -20.359  -7.182  -7.182
   61   2HG2  VAL   8          HG22      VAL   8 -19.647  -8.568  -8.568
   62   3HG2  VAL   8          HG21      VAL   8 -21.149  -7.860  -7.860
   63    H    CYS   9           HN       CYS   9 -22.717  -7.515  -7.515
   64    HA   CYS   9           HA       CYS   9 -24.438  -5.746  -5.746
   65   1HB   CYS   9           HB1      CYS   9 -23.407  -6.135  -6.135
   66   2HB   CYS   9           HB2      CYS   9 -23.863  -4.468  -4.468
   67    HG   CYS   9           HG       CYS   9 -26.005  -6.570  -6.570
   68    H    VAL  10           HN       VAL  10 -24.026  -4.081  -4.081
   69    HA   VAL  10           HA       VAL  10 -22.903  -2.391  -2.391
   70    HB   VAL  10           HB       VAL  10 -22.228  -0.545  -0.545
   71   1HG1  VAL  10          HG23      VAL  10 -24.699  -2.041  -2.041
   72   2HG1  VAL  10          HG22      VAL  10 -24.276  -0.654  -0.654
   73   3HG1  VAL  10          HG21      VAL  10 -24.502  -0.449  -0.449
   74   1HG2  VAL  10          HG12      VAL  10 -20.997  -2.092  -2.092
   75   2HG2  VAL  10          HG11      VAL  10 -21.787  -0.659  -0.659
   76   3HG2  VAL  10          HG13      VAL  10 -22.550  -2.241  -2.241
   77    H    GLY  11           HN       GLY  11 -21.391  -4.884  -4.884
   78   1HA   GLY  11           HA2      GLY  11 -18.727  -4.237  -4.237
   79   2HA   GLY  11           HA1      GLY  11 -19.251  -5.696  -5.696
   80    H    ASP  12           HN       ASP  12 -20.368  -4.493  -4.493
   81    HA   ASP  12           HA       ASP  12 -17.895  -3.661  -3.661
   82   1HB   ASP  12           HB1      ASP  12 -19.455  -5.672  -5.672
   83   2HB   ASP  12           HB2      ASP  12 -20.370  -4.393  -4.393
   84    H    ARG  13           HN       ARG  13 -19.198  -1.726  -1.726
   85    HA   ARG  13           HA       ARG  13 -20.405   0.014   0.014
   86   1HB   ARG  13           HB2      ARG  13 -21.774  -0.597  -0.597
   87   2HB   ARG  13           HB1      ARG  13 -20.639   0.375   0.375
   88   1HG   ARG  13           HG1      ARG  13 -22.115   2.016   2.016
   89   2HG   ARG  13           HG2      ARG  13 -21.301   2.122   2.122
   90   1HD   ARG  13           HD1      ARG  13 -23.001   1.033   1.033
   91   2HD   ARG  13           HD2      ARG  13 -23.574   0.219   0.219
   92    HE   ARG  13           HE       ARG  13 -24.491   2.689   2.689
   93   1HH1  ARG  13          HH11      ARG  13 -23.691   1.105   1.105
   94   2HH1  ARG  13          HH12      ARG  13 -24.787   2.056   2.056
   95   1HH2  ARG  13          HH21      ARG  13 -25.937   3.949   3.949
   96   2HH2  ARG  13          HH22      ARG  13 -26.064   3.673   3.673
   97    H    LEU  14           HN       LEU  14 -18.767   0.585   0.585
   98    HA   LEU  14           HA       LEU  14 -17.512   2.959   2.959
   99   1HB   LEU  14           HB1      LEU  14 -18.016   2.804   2.804
  100   2HB   LEU  14           HB2      LEU  14 -17.154   1.287   1.287
  101    HG   LEU  14           HG       LEU  14 -15.037   2.578   2.578
  102   1HD1  LEU  14          HD23      LEU  14 -16.927   4.878   4.878
  103   2HD1  LEU  14          HD22      LEU  14 -15.172   5.018   5.018
  104   3HD1  LEU  14          HD21      LEU  14 -15.935   4.552   4.552
  105   1HD2  LEU  14          HD13      LEU  14 -16.608   3.111   3.111
  106   2HD2  LEU  14          HD12      LEU  14 -15.394   1.863   1.863
  107   3HD2  LEU  14          HD11      LEU  14 -14.913   3.558   3.558
  108    H    SER  15           HN       SER  15 -16.616  -0.391  -0.391
  109    HA   SER  15           HA       SER  15 -13.826  -0.154  -0.154
  110   1HB   SER  15           HB1      SER  15 -14.397  -2.340  -2.340
  111   2HB   SER  15           HB2      SER  15 -15.826  -2.255  -2.255
  112    HG   SER  15           HG       SER  15 -14.581  -3.315  -3.315
  113    H    GLY  16           HN       GLY  16 -16.329  -0.131  -0.131
  114   1HA   GLY  16           HA2      GLY  16 -14.493  -0.072  -0.072
  115   2HA   GLY  16           HA1      GLY  16 -16.212   0.283   0.283
  116    H    ALA  17           HN       ALA  17 -16.141   2.397   2.397
  117    HA   ALA  17           HA       ALA  17 -15.550   4.574   4.574
  118   1HB   ALA  17           HB3      ALA  17 -17.088   4.245   4.245
  119   2HB   ALA  17           HB2      ALA  17 -15.747   5.200   5.200
  120   3HB   ALA  17           HB1      ALA  17 -16.692   5.799   5.799
  121    H    ALA  18           HN       ALA  18 -14.106   3.772   3.772
  122    HA   ALA  18           HA       ALA  18 -11.993   5.559   5.559
  123   1HB   ALA  18           HB2      ALA  18 -12.660   3.173   3.173
  124   2HB   ALA  18           HB1      ALA  18 -10.928   3.469   3.469
  125   3HB   ALA  18           HB3      ALA  18 -11.982   4.715   4.715
  126    H    ALA  19           HN       ALA  19 -12.146   2.218   2.218
  127    HA   ALA  19           HA       ALA  19  -9.430   2.148   2.148
  128   1HB   ALA  19           HB1      ALA  19 -10.802   0.142   0.142
  129   2HB   ALA  19           HB3      ALA  19 -11.681   0.376   0.376
  130   3HB   ALA  19           HB2      ALA  19  -9.953   0.026   0.026
  131    H    ARG  20           HN       ARG  20 -12.359   3.352   3.352
  132    HA   ARG  20           HA       ARG  20 -11.571   3.229   3.229
  133   1HB   ARG  20           HB2      ARG  20 -13.830   4.283   4.283
  134   2HB   ARG  20           HB1      ARG  20 -13.418   5.264   5.264
  135   1HG   ARG  20           HG2      ARG  20 -13.707   3.397   3.397
  136   2HG   ARG  20           HG1      ARG  20 -13.928   2.300   2.300
  137   1HD   ARG  20           HD1      ARG  20 -15.900   3.829   3.829
  138   2HD   ARG  20           HD2      ARG  20 -15.770   4.435   4.435
  139    HE   ARG  20           HE       ARG  20 -15.864   1.624   1.624
  140   1HH1  ARG  20          HH11      ARG  20 -17.890   4.378   4.378
  141   2HH1  ARG  20          HH12      ARG  20 -19.355   3.575   3.575
  142   1HH2  ARG  20          HH21      ARG  20 -17.788   0.556   0.556
  143   2HH2  ARG  20          HH22      ARG  20 -19.297   1.401   1.401
  144    H    GLY  21           HN       GLY  21 -11.292   5.614   5.614
  145   1HA   GLY  21           HA2      GLY  21  -9.524   7.196   7.196
  146   2HA   GLY  21           HA1      GLY  21  -9.380   7.086   7.086
  147    H    ASP  22           HN       ASP  22 -11.842   7.998   7.998
  148    HA   ASP  22           HA       ASP  22 -12.223  10.522  10.522
  149   1HB   ASP  22           HB2      ASP  22 -14.744   9.278   9.278
  150   2HB   ASP  22           HB1      ASP  22 -13.955   8.464   8.464
  151    H    VAL  23           HN       VAL  23 -11.299  11.608  11.608
  152    HA   VAL  23           HA       VAL  23 -11.757  11.230  11.230
  153    HB   VAL  23           HB       VAL  23 -10.043  12.761  12.761
  154   1HG1  VAL  23          HG13      VAL  23 -11.839  13.814  13.814
  155   2HG1  VAL  23          HG12      VAL  23 -12.117  14.900  14.900
  156   3HG1  VAL  23          HG11      VAL  23 -10.519  14.806  14.806
  157   1HG2  VAL  23          HG21      VAL  23 -11.803  13.334  13.334
  158   2HG2  VAL  23          HG23      VAL  23 -10.043  13.272  13.272
  159   3HG2  VAL  23          HG22      VAL  23 -10.897  14.735  14.735
  160    H    GLN  24           HN       GLN  24 -13.870  12.529  12.529
  161    HA   GLN  24           HA       GLN  24 -15.536  14.046  14.046
  162   1HB   GLN  24           HB1      GLN  24 -16.073  12.895  12.895
  163   2HB   GLN  24           HB2      GLN  24 -17.143  14.009  14.009
  164   1HG   GLN  24           HG1      GLN  24 -15.672  15.788  15.788
  165   2HG   GLN  24           HG2      GLN  24 -14.290  14.734  14.734
  166   1HE2  GLN  24          HE22      GLN  24 -15.920  16.397  16.397
  167   2HE2  GLN  24          HE21      GLN  24 -15.815  16.996  16.996
  168    H    GLU  25           HN       GLU  25 -15.789  10.805  10.805
  169    HA   GLU  25           HA       GLU  25 -18.257  10.165  10.165
  170   1HB   GLU  25           HB2      GLU  25 -16.209   8.140   8.140
  171   2HB   GLU  25           HB1      GLU  25 -17.961   7.979   7.979
  172   1HG   GLU  25           HG1      GLU  25 -17.446   8.229   8.229
  173   2HG   GLU  25           HG2      GLU  25 -17.984   9.832   9.832
  174    H    VAL  26           HN       VAL  26 -14.877   9.575   9.575
  175    HA   VAL  26           HA       VAL  26 -15.195   7.857   7.857
  176    HB   VAL  26           HB       VAL  26 -13.151  10.033  10.033
  177   1HG1  VAL  26          HG22      VAL  26 -13.692   8.533   8.533
  178   2HG1  VAL  26          HG21      VAL  26 -12.119   8.074   8.074
  179   3HG1  VAL  26          HG23      VAL  26 -12.463   9.764   9.764
  180   1HG2  VAL  26          HG13      VAL  26 -13.480   7.277   7.277
  181   2HG2  VAL  26          HG12      VAL  26 -12.460   8.566   8.566
  182   3HG2  VAL  26          HG11      VAL  26 -11.904   7.599   7.599
  183    H    ARG  27           HN       ARG  27 -15.027  11.419  11.419
  184    HA   ARG  27           HA       ARG  27 -15.508  11.682  11.682
  185   1HB   ARG  27           HB2      ARG  27 -16.084  13.599  13.599
  186   2HB   ARG  27           HB1      ARG  27 -16.156  14.025  14.025
  187   1HG   ARG  27           HG1      ARG  27 -13.751  13.352  13.352
  188   2HG   ARG  27           HG2      ARG  27 -13.737  13.196  13.196
  189   1HD   ARG  27           HD2      ARG  27 -14.665  15.607  15.607
  190   2HD   ARG  27           HD1      ARG  27 -14.076  15.655  15.655
  191    HE   ARG  27           HE       ARG  27 -11.909  14.807  14.807
  192   1HH1  ARG  27          HH21      ARG  27 -14.124  17.412  17.412
  193   2HH1  ARG  27          HH22      ARG  27 -12.932  18.399  18.399
  194   1HH2  ARG  27          HH11      ARG  27 -10.334  16.096  16.096
  195   2HH2  ARG  27          HH12      ARG  27 -10.778  17.651  17.651
  196    H    ARG  28           HN       ARG  28 -17.786  12.250  12.250
  197    HA   ARG  28           HA       ARG  28 -20.078  12.547  12.547
  198   1HB   ARG  28           HB2      ARG  28 -19.772  11.428  11.428
  199   2HB   ARG  28           HB1      ARG  28 -21.316  11.854  11.854
  200   1HG   ARG  28           HG1      ARG  28 -19.140  13.889  13.889
  201   2HG   ARG  28           HG2      ARG  28 -20.097  13.531  13.531
  202   1HD   ARG  28           HD1      ARG  28 -22.030  13.790  13.790
  203   2HD   ARG  28           HD2      ARG  28 -20.833  14.965  14.965
  204    HE   ARG  28           HE       ARG  28 -22.598  15.287  15.287
  205   1HH1  ARG  28          HH11      ARG  28 -19.243  15.765  15.765
  206   2HH1  ARG  28          HH12      ARG  28 -19.031  17.078  17.078
  207   1HH2  ARG  28          HH21      ARG  28 -22.333  17.016  17.016
  208   2HH2  ARG  28          HH22      ARG  28 -20.789  17.790  17.790
  209    H    LEU  29           HN       LEU  29 -18.363   9.680   9.680
  210    HA   LEU  29           HA       LEU  29 -20.451   7.832   7.832
  211   1HB   LEU  29           HB1      LEU  29 -17.531   7.635   7.635
  212   2HB   LEU  29           HB2      LEU  29 -18.344   6.253   6.253
  213    HG   LEU  29           HG       LEU  29 -19.236   7.584   7.584
  214   1HD1  LEU  29          HD12      LEU  29 -16.912   6.124   6.124
  215   2HD1  LEU  29          HD11      LEU  29 -18.070   4.947   4.947
  216   3HD1  LEU  29          HD13      LEU  29 -17.742   6.423   6.423
  217   1HD2  LEU  29          HD23      LEU  29 -20.447   5.687   5.687
  218   2HD2  LEU  29          HD22      LEU  29 -21.008   6.263   6.263
  219   3HD2  LEU  29          HD21      LEU  29 -19.963   4.846   4.846
  220    H    LEU  30           HN       LEU  30 -17.280   8.079   8.079
  221    HA   LEU  30           HA       LEU  30 -18.284   6.938   6.938
  222   1HB   LEU  30           HB1      LEU  30 -15.655   8.241   8.241
  223   2HB   LEU  30           HB2      LEU  30 -15.998   7.528   7.528
  224    HG   LEU  30           HG       LEU  30 -15.837   6.105   6.105
  225   1HD1  LEU  30          HD13      LEU  30 -14.078   6.397   6.397
  226   2HD1  LEU  30          HD12      LEU  30 -14.163   4.801   4.801
  227   3HD1  LEU  30          HD11      LEU  30 -13.671   6.198   6.198
  228   1HD2  LEU  30          HD23      LEU  30 -17.006   5.272   5.272
  229   2HD2  LEU  30          HD22      LEU  30 -17.510   4.880   4.880
  230   3HD2  LEU  30          HD21      LEU  30 -16.103   4.084   4.084
  231    H    HIS  31           HN       HIS  31 -17.330  10.211  10.211
  232    HA   HIS  31           HA       HIS  31 -17.780  11.347  11.347
  233   1HB   HIS  31           HB2      HIS  31 -16.645  12.200  12.200
  234   2HB   HIS  31           HB1      HIS  31 -18.002  13.284  13.284
  235    HD2  HIS  31           HD2      HIS  31 -14.399  13.070  13.070
  236    HE1  HIS  31           HE1      HIS  31 -16.174  15.262  15.262
  237    HE2  HIS  31           HE2      HIS  31 -13.988  14.459  14.459
  238    H    ARG  32           HN       ARG  32 -19.884  10.299  10.299
  239    HA   ARG  32           HA       ARG  32 -22.087  11.757  11.757
  240   1HB   ARG  32           HB1      ARG  32 -21.163  12.214  12.214
  241   2HB   ARG  32           HB2      ARG  32 -22.689  11.352  11.352
  242   1HG   ARG  32           HG2      ARG  32 -22.679  13.564  13.564
  243   2HG   ARG  32           HG1      ARG  32 -22.464  14.029  14.029
  244   1HD   ARG  32           HD1      ARG  32 -24.585  12.054  12.054
  245   2HD   ARG  32           HD2      ARG  32 -24.867  13.670  13.670
  246    HE   ARG  32           HE       ARG  32 -24.042  13.605  13.605
  247   1HH1  ARG  32          HH11      ARG  32 -26.716  13.565  13.565
  248   2HH1  ARG  32          HH12      ARG  32 -27.863  14.140  14.140
  249   1HH2  ARG  32          HH21      ARG  32 -25.542  14.365  14.365
  250   2HH2  ARG  32          HH22      ARG  32 -27.196  14.595  14.595
  251    H    GLU  33           HN       GLU  33 -21.997   9.556   9.556
  252    HA   GLU  33           HA       GLU  33 -24.189   8.070   8.070
  253   1HB   GLU  33           HB2      GLU  33 -22.460   7.847   7.847
  254   2HB   GLU  33           HB1      GLU  33 -21.645   6.700   6.700
  255   1HG   GLU  33           HG2      GLU  33 -24.492   6.170   6.170
  256   2HG   GLU  33           HG1      GLU  33 -23.605   6.107   6.107
  257    H    LEU  34           HN       LEU  34 -21.201   7.926   7.926
  258    HA   LEU  34           HA       LEU  34 -20.607   6.866   6.866
  259   1HB   LEU  34           HB1      LEU  34 -23.491   7.157   7.157
  260   2HB   LEU  34           HB2      LEU  34 -22.944   5.735   5.735
  261    HG   LEU  34           HG       LEU  34 -22.092   8.591   8.591
  262   1HD1  LEU  34          HD11      LEU  34 -23.742   6.603   6.603
  263   2HD1  LEU  34          HD13      LEU  34 -23.001   8.007   8.007
  264   3HD1  LEU  34          HD12      LEU  34 -24.181   8.230   8.230
  265   1HD2  LEU  34          HD23      LEU  34 -20.897   6.009   6.009
  266   2HD2  LEU  34          HD22      LEU  34 -20.122   7.547   7.547
  267   3HD2  LEU  34          HD21      LEU  34 -20.953   7.332   7.332
  268    H    VAL  35           HN       VAL  35 -20.220   5.419   5.419
  269    HA   VAL  35           HA       VAL  35 -21.343   2.784   2.784
  270    HB   VAL  35           HB       VAL  35 -18.946   3.641   3.641
  271   1HG1  VAL  35          HG11      VAL  35 -20.746   1.240   1.240
  272   2HG1  VAL  35          HG13      VAL  35 -19.829   1.721   1.721
  273   3HG1  VAL  35          HG12      VAL  35 -18.985   1.304   1.304
  274   1HG2  VAL  35          HG21      VAL  35 -21.746   4.304   4.304
  275   2HG2  VAL  35          HG23      VAL  35 -20.345   4.907   4.907
  276   3HG2  VAL  35          HG22      VAL  35 -21.137   3.418   3.418
  277    H    HIS  36           HN       HIS  36 -20.131   0.846   0.846
  278    HA   HIS  36           HA       HIS  36 -18.364   1.108   1.108
  279   1HB   HIS  36           HB2      HIS  36 -20.088  -0.872  -0.872
  280   2HB   HIS  36           HB1      HIS  36 -18.475  -1.567  -1.567
  281    HD2  HIS  36           HD2      HIS  36 -19.988   0.599   0.599
  282    HE1  HIS  36           HE1      HIS  36 -18.519  -3.082  -3.082
  283    HE2  HIS  36           HE2      HIS  36 -19.423  -0.796  -0.796
  284    HA   PRO  37           HA       PRO  37 -14.601   1.090   1.090
  285   1HB   PRO  37           HB1      PRO  37 -12.874   0.746   0.746
  286   2HB   PRO  37           HB2      PRO  37 -13.735   2.267   2.267
  287   1HG   PRO  37           HG2      PRO  37 -14.338   0.047   0.047
  288   2HG   PRO  37           HG1      PRO  37 -14.384   1.798   1.798
  289   1HD   PRO  37           HD2      PRO  37 -16.610   0.300   0.300
  290   2HD   PRO  37           HD1      PRO  37 -16.471   2.012   2.012
  291    H    ASP  38           HN       ASP  38 -15.928  -1.556  -1.556
  292    HA   ASP  38           HA       ASP  38 -13.748  -3.351  -3.351
  293   1HB   ASP  38           HB2      ASP  38 -14.822  -3.332  -3.332
  294   2HB   ASP  38           HB1      ASP  38 -16.131  -4.221  -4.221
  295    H    ALA  39           HN       ALA  39 -16.113  -2.071  -2.071
  296    HA   ALA  39           HA       ALA  39 -17.857  -4.066  -4.066
  297   1HB   ALA  39           HB3      ALA  39 -16.871  -1.509  -1.509
  298   2HB   ALA  39           HB2      ALA  39 -17.764  -2.614  -2.614
  299   3HB   ALA  39           HB1      ALA  39 -18.509  -1.999  -1.999
  300    H    LEU  40           HN       LEU  40 -17.620  -5.830  -5.830
  301    HA   LEU  40           HA       LEU  40 -15.159  -6.102  -6.102
  302   1HB   LEU  40           HB1      LEU  40 -16.637  -8.431  -8.431
  303   2HB   LEU  40           HB2      LEU  40 -14.999  -8.380  -8.380
  304    HG   LEU  40           HG       LEU  40 -15.004  -6.551  -6.551
  305   1HD1  LEU  40          HD11      LEU  40 -17.227  -8.040  -8.040
  306   2HD1  LEU  40          HD13      LEU  40 -16.008  -8.991  -8.991
  307   3HD1  LEU  40          HD12      LEU  40 -16.257  -7.297  -7.297
  308   1HD2  LEU  40          HD23      LEU  40 -14.093  -9.424  -9.424
  309   2HD2  LEU  40          HD22      LEU  40 -13.175  -8.025  -8.025
  310   3HD2  LEU  40          HD21      LEU  40 -13.558  -8.201  -8.201
  311    H    ASN  41           HN       ASN  41 -15.402  -6.543  -6.543
  312    HA   ASN  41           HA       ASN  41 -17.813  -6.357  -6.357
  313   1HB   ASN  41           HB2      ASN  41 -15.371  -7.872  -7.872
  314   2HB   ASN  41           HB1      ASN  41 -16.651  -7.218  -7.218
  315   1HD2  ASN  41          HD22      ASN  41 -13.885  -4.852  -4.852
  316   2HD2  ASN  41          HD21      ASN  41 -14.216  -6.481  -6.481
  317    H    ARG  42           HN       ARG  42 -15.985  -9.353  -9.353
  318    HA   ARG  42           HA       ARG  42 -18.210 -10.872 -10.872
  319   1HB   ARG  42           HB1      ARG  42 -17.997 -10.488 -10.488
  320   2HB   ARG  42           HB2      ARG  42 -17.632 -12.172 -12.172
  321   1HG   ARG  42           HG1      ARG  42 -20.027 -10.935 -10.935
  322   2HG   ARG  42           HG2      ARG  42 -20.089 -11.379 -11.379
  323   1HD   ARG  42           HD2      ARG  42 -20.250 -13.552 -13.552
  324   2HD   ARG  42           HD1      ARG  42 -18.921 -13.472 -13.472
  325    HE   ARG  42           HE       ARG  42 -21.322 -12.342 -12.342
  326   1HH1  ARG  42          HH11      ARG  42 -19.668 -15.344 -15.344
  327   2HH1  ARG  42          HH12      ARG  42 -20.489 -16.206 -16.206
  328   1HH2  ARG  42          HH21      ARG  42 -22.412 -13.467 -13.467
  329   2HH2  ARG  42          HH22      ARG  42 -22.052 -15.139 -15.139
  330    H    PHE  43           HN       PHE  43 -15.227 -11.190 -11.190
  331    HA   PHE  43           HA       PHE  43 -14.479 -13.728 -13.728
  332   1HB   PHE  43           HB1      PHE  43 -13.398 -12.151 -12.151
  333   2HB   PHE  43           HB2      PHE  43 -12.448 -11.544 -11.544
  334    HD1  PHE  43           HD2      PHE  43 -12.988 -14.800 -14.800
  335    HD2  PHE  43           HD1      PHE  43 -10.836 -12.506 -12.506
  336    HE1  PHE  43           HE2      PHE  43 -11.395 -16.658 -16.658
  337    HE2  PHE  43           HE1      PHE  43  -9.239 -14.361 -14.361
  338    HZ   PHE  43           HZ       PHE  43  -9.517 -16.439 -16.439
  339    H    GLY  44           HN       GLY  44 -14.081 -10.646 -10.646
  340   1HA   GLY  44           HA1      GLY  44 -14.165 -10.867 -10.867
  341   2HA   GLY  44           HA2      GLY  44 -12.937 -12.109 -12.109
  342    H    LYS  45           HN       LYS  45 -12.942  -9.172  -9.172
  343    HA   LYS  45           HA       LYS  45 -10.401  -8.430  -8.430
  344   1HB   LYS  45           HB2      LYS  45 -11.494  -7.032  -7.032
  345   2HB   LYS  45           HB1      LYS  45  -9.823  -7.360  -7.360
  346   1HG   LYS  45           HG2      LYS  45  -9.915  -9.545  -9.545
  347   2HG   LYS  45           HG1      LYS  45 -11.678  -9.596  -9.596
  348   1HD   LYS  45           HD2      LYS  45 -11.272  -9.394  -9.394
  349   2HD   LYS  45           HD1      LYS  45 -11.535  -7.717  -7.717
  350   1HE   LYS  45           HE2      LYS  45  -9.287  -7.182  -7.182
  351   2HE   LYS  45           HE1      LYS  45  -8.773  -8.860  -8.860
  352   1HZ   LYS  45           HZ1      LYS  45  -9.734  -9.276  -9.276
  353   2HZ   LYS  45           HZ3      LYS  45 -10.055  -7.622  -7.622
  354   3HZ   LYS  45           HZ2      LYS  45  -8.458  -8.165  -8.165
  355    H    THR  46           HN       THR  46  -9.977  -6.276  -6.276
  356    HA   THR  46           HA       THR  46 -12.358  -4.917  -4.917
  357    HB   THR  46           HB       THR  46 -10.522  -3.526  -3.526
  358    HG1  THR  46           HG1      THR  46  -8.963  -5.822  -5.822
  359   1HG2  THR  46          HG22      THR  46 -11.898  -5.761  -5.761
  360   2HG2  THR  46          HG21      THR  46 -10.221  -6.219  -6.219
  361   3HG2  THR  46          HG23      THR  46 -10.884  -4.767  -4.767
  362    H    ALA  47           HN       ALA  47 -12.604  -2.620  -2.620
  363    HA   ALA  47           HA       ALA  47 -12.302  -1.647  -1.647
  364   1HB   ALA  47           HB3      ALA  47 -13.907  -0.877  -0.877
  365   2HB   ALA  47           HB2      ALA  47 -12.586   0.157   0.157
  366   3HB   ALA  47           HB1      ALA  47 -13.251   0.351   0.351
  367    H    LEU  48           HN       LEU  48 -10.155  -1.552  -1.552
  368    HA   LEU  48           HA       LEU  48  -8.504   0.581   0.581
  369   1HB   LEU  48           HB1      LEU  48  -8.582  -1.245  -1.245
  370   2HB   LEU  48           HB2      LEU  48  -6.949  -1.081  -1.081
  371    HG   LEU  48           HG       LEU  48  -8.741   1.114   1.114
  372   1HD1  LEU  48          HD11      LEU  48  -6.326  -0.315  -0.315
  373   2HD1  LEU  48          HD13      LEU  48  -6.547   1.383   1.383
  374   3HD1  LEU  48          HD12      LEU  48  -7.773   0.198   0.198
  375   1HD2  LEU  48          HD21      LEU  48  -6.740   1.290   1.290
  376   2HD2  LEU  48          HD23      LEU  48  -7.635   2.594   2.594
  377   3HD2  LEU  48          HD22      LEU  48  -6.111   2.034   2.034
  378    H    GLN  49           HN       GLN  49  -8.346  -2.949  -2.949
  379    HA   GLN  49           HA       GLN  49  -5.829  -3.150  -3.150
  380   1HB   GLN  49           HB2      GLN  49  -7.853  -4.912  -4.912
  381   2HB   GLN  49           HB1      GLN  49  -7.711  -5.134  -5.134
  382   1HG   GLN  49           HG2      GLN  49  -5.524  -5.415  -5.415
  383   2HG   GLN  49           HG1      GLN  49  -6.292  -6.704  -6.704
  384   1HE2  GLN  49          HE22      GLN  49  -3.313  -6.351  -6.351
  385   2HE2  GLN  49          HE21      GLN  49  -4.021  -7.167  -7.167
  386    H    VAL  50           HN       VAL  50  -9.056  -3.117  -3.117
  387    HA   VAL  50           HA       VAL  50  -8.119  -3.101  -3.101
  388    HB   VAL  50           HB       VAL  50 -10.425  -2.196  -2.196
  389   1HG1  VAL  50          HG13      VAL  50  -9.741  -4.747  -4.747
  390   2HG1  VAL  50          HG12      VAL  50 -11.463  -4.377  -4.377
  391   3HG1  VAL  50          HG11      VAL  50 -10.495  -4.433  -4.433
  392   1HG2  VAL  50          HG22      VAL  50 -10.412  -1.397  -1.397
  393   2HG2  VAL  50          HG21      VAL  50 -11.840  -1.509  -1.509
  394   3HG2  VAL  50          HG23      VAL  50 -11.422  -2.843  -2.843
  395    H    MET  51           HN       MET  51  -8.409  -0.616  -0.616
  396    HA   MET  51           HA       MET  51  -8.801   1.713   1.713
  397   1HB   MET  51           HB1      MET  51  -7.978   1.232   1.232
  398   2HB   MET  51           HB2      MET  51  -6.376   1.493   1.493
  399   1HG   MET  51           HG2      MET  51  -7.065   3.720   3.720
  400   2HG   MET  51           HG1      MET  51  -8.657   3.455   3.455
  401   1HE   MET  51           HE1      MET  51  -4.873   3.103   3.103
  402   2HE   MET  51           HE3      MET  51  -4.915   3.295   3.295
  403   3HE   MET  51           HE2      MET  51  -5.665   1.887   1.887
  404    H    MET  52           HN       MET  52  -7.468   3.274   3.274
  405    HA   MET  52           HA       MET  52  -5.239   2.055   2.055
  406   1HB   MET  52           HB1      MET  52  -5.877   3.166   3.166
  407   2HB   MET  52           HB2      MET  52  -7.427   2.748   2.748
  408   1HG   MET  52           HG1      MET  52  -7.998   4.876   4.876
  409   2HG   MET  52           HG2      MET  52  -6.780   5.237   5.237
  410   1HE   MET  52           HE2      MET  52  -7.578   7.371   7.371
  411   2HE   MET  52           HE1      MET  52  -6.376   8.112   8.112
  412   3HE   MET  52           HE3      MET  52  -7.700   7.172   7.172
  413    H    PHE  53           HN       PHE  53  -5.343   3.646   3.646
  414    HA   PHE  53           HA       PHE  53  -4.383   5.513   5.513
  415   1HB   PHE  53           HB2      PHE  53  -2.091   4.662   4.662
  416   2HB   PHE  53           HB1      PHE  53  -1.988   5.467   5.467
  417    HD1  PHE  53           HD2      PHE  53  -3.600   2.394   2.394
  418    HD2  PHE  53           HD1      PHE  53  -1.309   4.147   4.147
  419    HE1  PHE  53           HE2      PHE  53  -3.458   0.201   0.201
  420    HE2  PHE  53           HE1      PHE  53  -1.163   1.958   1.958
  421    HZ   PHE  53           HZ       PHE  53  -2.248  -0.018  -0.018
  422    H    GLY  54           HN       GLY  54  -5.897   6.198   6.198
  423   1HA   GLY  54           HA2      GLY  54  -4.413   7.990   7.990
  424   2HA   GLY  54           HA1      GLY  54  -6.164   7.898   7.898
  425    H    SER  55           HN       SER  55  -7.211   9.034   9.034
  426    HA   SER  55           HA       SER  55  -5.893  11.562  11.562
  427   1HB   SER  55           HB1      SER  55  -8.692  10.611  10.611
  428   2HB   SER  55           HB2      SER  55  -8.095  12.254  12.254
  429    HG   SER  55           HG       SER  55  -7.562  12.012  12.012
  430    HA   PRO  56           HA       PRO  56  -4.145  10.247  10.247
  431   1HB   PRO  56           HB2      PRO  56  -4.570  13.171  13.171
  432   2HB   PRO  56           HB1      PRO  56  -3.152  12.171  12.171
  433   1HG   PRO  56           HG2      PRO  56  -3.213  13.781  13.781
  434   2HG   PRO  56           HG1      PRO  56  -2.450  12.183  12.183
  435   1HD   PRO  56           HD1      PRO  56  -5.021  13.115  13.115
  436   2HD   PRO  56           HD2      PRO  56  -3.926  11.838  11.838
  437    H    ALA  57           HN       ALA  57  -6.908  12.471  12.471
  438    HA   ALA  57           HA       ALA  57  -7.804  12.120  12.120
  439   1HB   ALA  57           HB2      ALA  57  -8.676  13.499  13.499
  440   2HB   ALA  57           HB1      ALA  57 -10.044  12.644  12.644
  441   3HB   ALA  57           HB3      ALA  57  -9.116  13.783  13.783
  442    H    VAL  58           HN       VAL  58  -8.060  10.096  10.096
  443    HA   VAL  58           HA       VAL  58 -10.380   8.661   8.661
  444    HB   VAL  58           HB       VAL  58  -7.927   7.951   7.951
  445   1HG1  VAL  58          HG11      VAL  58  -8.840   5.906   5.906
  446   2HG1  VAL  58          HG13      VAL  58 -10.422   6.299   6.299
  447   3HG1  VAL  58          HG12      VAL  58  -9.068   5.962   5.962
  448   1HG2  VAL  58          HG22      VAL  58 -10.010   9.586   9.586
  449   2HG2  VAL  58          HG21      VAL  58  -9.042   8.721   8.721
  450   3HG2  VAL  58          HG23      VAL  58 -10.580   8.049   8.049
  451    H    ALA  59           HN       ALA  59  -6.953   7.863   7.863
  452    HA   ALA  59           HA       ALA  59  -7.460   5.541   5.541
  453   1HB   ALA  59           HB1      ALA  59  -5.077   7.385   7.385
  454   2HB   ALA  59           HB3      ALA  59  -5.120   5.836   5.836
  455   3HB   ALA  59           HB2      ALA  59  -5.286   5.890   5.890
  456    H    LEU  60           HN       LEU  60  -7.291   8.925   8.925
  457    HA   LEU  60           HA       LEU  60  -7.082   8.642   8.642
  458   1HB   LEU  60           HB2      LEU  60  -6.645  10.771  10.771
  459   2HB   LEU  60           HB1      LEU  60  -8.161  10.805  10.805
  460    HG   LEU  60           HG       LEU  60  -9.402  11.139  11.139
  461   1HD1  LEU  60          HD22      LEU  60  -7.045  10.064  10.064
  462   2HD1  LEU  60          HD21      LEU  60  -7.410  11.635  11.635
  463   3HD1  LEU  60          HD23      LEU  60  -8.629  10.361  10.361
  464   1HD2  LEU  60          HD13      LEU  60  -8.187  13.056  13.056
  465   2HD2  LEU  60          HD12      LEU  60  -8.774  13.341  13.341
  466   3HD2  LEU  60          HD11      LEU  60  -7.065  13.008  13.008
  467    H    GLU  61           HN       GLU  61  -9.896   8.833   8.833
  468    HA   GLU  61           HA       GLU  61 -11.863   8.895   8.895
  469   1HB   GLU  61           HB1      GLU  61 -11.933   7.969   7.969
  470   2HB   GLU  61           HB2      GLU  61 -13.362   7.984   7.984
  471   1HG   GLU  61           HG2      GLU  61 -13.673  10.145  10.145
  472   2HG   GLU  61           HG1      GLU  61 -12.014  10.518  10.518
  473    H    LEU  62           HN       LEU  62 -10.605   6.148   6.148
  474    HA   LEU  62           HA       LEU  62 -12.134   4.172   4.172
  475   1HB   LEU  62           HB2      LEU  62  -9.553   4.148   4.148
  476   2HB   LEU  62           HB1      LEU  62 -10.205   2.680   2.680
  477    HG   LEU  62           HG       LEU  62 -12.376   3.404   3.404
  478   1HD1  LEU  62          HD23      LEU  62 -10.163   4.909   4.909
  479   2HD1  LEU  62          HD22      LEU  62 -11.599   4.381   4.381
  480   3HD1  LEU  62          HD21      LEU  62 -11.757   5.485   5.485
  481   1HD2  LEU  62          HD11      LEU  62  -9.939   2.145   2.145
  482   2HD2  LEU  62          HD13      LEU  62 -11.243   1.324   1.324
  483   3HD2  LEU  62          HD12      LEU  62 -11.558   2.094   2.094
  484    H    LEU  63           HN       LEU  63  -8.834   5.324   5.324
  485    HA   LEU  63           HA       LEU  63  -8.277   3.513   3.513
  486   1HB   LEU  63           HB1      LEU  63  -6.952   5.627   5.627
  487   2HB   LEU  63           HB2      LEU  63  -7.001   6.068   6.068
  488    HG   LEU  63           HG       LEU  63  -5.010   4.922   4.922
  489   1HD1  LEU  63          HD21      LEU  63  -6.938   3.757   3.757
  490   2HD1  LEU  63          HD23      LEU  63  -6.536   2.416   2.416
  491   3HD1  LEU  63          HD22      LEU  63  -5.286   3.142   3.142
  492   1HD2  LEU  63          HD13      LEU  63  -6.107   3.865   3.865
  493   2HD2  LEU  63          HD12      LEU  63  -4.429   3.851   3.851
  494   3HD2  LEU  63          HD11      LEU  63  -5.507   2.522   2.522
  495    H    LYS  64           HN       LYS  64  -9.276   6.933   6.933
  496    HA   LYS  64           HA       LYS  64  -9.636   6.968   6.968
  497   1HB   LYS  64           HB1      LYS  64  -9.465   8.937   8.937
  498   2HB   LYS  64           HB2      LYS  64 -11.193   8.710   8.710
  499   1HG   LYS  64           HG2      LYS  64 -11.617   9.152   9.152
  500   2HG   LYS  64           HG1      LYS  64  -9.887   9.221   9.221
  501   1HD   LYS  64           HD1      LYS  64 -10.675  11.029  11.029
  502   2HD   LYS  64           HD2      LYS  64 -11.517  11.363  11.363
  503   1HE   LYS  64           HE1      LYS  64  -9.441  11.581  11.581
  504   2HE   LYS  64           HE2      LYS  64  -8.531  11.042  11.042
  505   1HZ   LYS  64           HZ3      LYS  64  -9.988  13.178  13.178
  506   2HZ   LYS  64           HZ2      LYS  64  -9.476  13.653  13.653
  507   3HZ   LYS  64           HZ1      LYS  64  -8.338  13.179  13.179
  508    H    GLN  65           HN       GLN  65 -11.426   5.438   5.438
  509    HA   GLN  65           HA       GLN  65 -14.004   5.642   5.642
  510   1HB   GLN  65           HB1      GLN  65 -12.977   4.696   4.696
  511   2HB   GLN  65           HB2      GLN  65 -14.016   3.476   3.476
  512   1HG   GLN  65           HG2      GLN  65 -14.696   6.271   6.271
  513   2HG   GLN  65           HG1      GLN  65 -15.445   4.755   4.755
  514   1HE2  GLN  65          HE22      GLN  65 -16.987   6.820   6.820
  515   2HE2  GLN  65          HE21      GLN  65 -15.834   7.424   7.424
  516    H    GLY  66           HN       GLY  66 -11.355   3.337   3.337
  517   1HA   GLY  66           HA1      GLY  66 -11.131   2.046   2.046
  518   2HA   GLY  66           HA2      GLY  66 -12.830   1.653   1.653
  519    H    ALA  67           HN       ALA  67 -10.817   1.781   1.781
  520    HA   ALA  67           HA       ALA  67 -11.292  -1.020  -1.020
  521   1HB   ALA  67           HB1      ALA  67 -10.961   1.204   1.204
  522   2HB   ALA  67           HB3      ALA  67  -9.475   0.288   0.288
  523   3HB   ALA  67           HB2      ALA  67 -11.038  -0.472  -0.472
  524    H    SER  68           HN       SER  68  -9.634  -2.567  -2.567
  525    HA   SER  68           HA       SER  68  -7.173  -2.069  -2.069
  526   1HB   SER  68           HB2      SER  68  -8.952  -4.404  -4.404
  527   2HB   SER  68           HB1      SER  68  -7.228  -4.775  -4.775
  528    HG   SER  68           HG       SER  68  -7.029  -3.641  -3.641
  529    HA   PRO  69           HA       PRO  69  -5.477  -2.156  -2.156
  530   1HB   PRO  69           HB2      PRO  69  -3.128  -0.972  -0.972
  531   2HB   PRO  69           HB1      PRO  69  -4.605  -0.064  -0.064
  532   1HG   PRO  69           HG1      PRO  69  -3.421  -0.864  -0.864
  533   2HG   PRO  69           HG2      PRO  69  -4.148   0.683   0.683
  534   1HD   PRO  69           HD1      PRO  69  -5.488  -1.161  -1.161
  535   2HD   PRO  69           HD2      PRO  69  -6.300  -0.095  -0.095
  536    H    ASN  70           HN       ASN  70  -4.562  -3.635  -3.635
  537    HA   ASN  70           HA       ASN  70  -2.176  -4.916  -4.916
  538   1HB   ASN  70           HB2      ASN  70  -3.576  -6.073  -6.073
  539   2HB   ASN  70           HB1      ASN  70  -1.879  -5.650  -5.650
  540   1HD2  ASN  70          HD22      ASN  70  -2.193  -2.793  -2.793
  541   2HD2  ASN  70          HD21      ASN  70  -1.242  -4.119  -4.119
  542    H    VAL  71           HN       VAL  71  -3.806  -5.489  -5.489
  543    HA   VAL  71           HA       VAL  71  -4.635  -8.277  -8.277
  544    HB   VAL  71           HB       VAL  71  -6.470  -8.040  -8.040
  545   1HG1  VAL  71          HG23      VAL  71  -6.326  -5.899  -5.899
  546   2HG1  VAL  71          HG22      VAL  71  -7.788  -6.198  -6.198
  547   3HG1  VAL  71          HG21      VAL  71  -7.121  -7.470  -7.470
  548   1HG2  VAL  71          HG12      VAL  71  -5.292  -6.406  -6.406
  549   2HG2  VAL  71          HG11      VAL  71  -6.993  -6.049  -6.049
  550   3HG2  VAL  71          HG13      VAL  71  -5.739  -5.140  -5.140
  551    H    GLN  72           HN       GLN  72  -4.558  -9.661  -9.661
  552    HA   GLN  72           HA       GLN  72  -2.724  -8.715  -8.715
  553   1HB   GLN  72           HB2      GLN  72  -2.515 -11.333 -11.333
  554   2HB   GLN  72           HB1      GLN  72  -1.570 -10.915 -10.915
  555   1HG   GLN  72           HG1      GLN  72  -0.051  -9.987  -9.987
  556   2HG   GLN  72           HG2      GLN  72  -1.248  -8.808  -8.808
  557   1HE2  GLN  72          HE22      GLN  72  -0.542 -10.006 -10.006
  558   2HE2  GLN  72          HE21      GLN  72  -0.329  -8.730  -8.730
  559    H    ASP  73           HN       ASP  73  -2.932  -9.730  -9.730
  560    HA   ASP  73           HA       ASP  73  -5.252 -11.508 -11.508
  561   1HB   ASP  73           HB1      ASP  73  -4.698  -9.432  -9.432
  562   2HB   ASP  73           HB2      ASP  73  -5.563  -8.965  -8.965
  563    H    ALA  74           HN       ALA  74  -5.071 -13.078 -13.078
  564    HA   ALA  74           HA       ALA  74  -4.140 -14.338 -14.338
  565   1HB   ALA  74           HB2      ALA  74  -3.290 -11.958 -11.958
  566   2HB   ALA  74           HB1      ALA  74  -1.736 -12.606 -12.606
  567   3HB   ALA  74           HB3      ALA  74  -2.661 -13.437 -13.437
  568    H    SER  75           HN       SER  75  -1.269 -12.931 -12.931
  569    HA   SER  75           HA       SER  75  -0.665 -15.596 -15.596
  570   1HB   SER  75           HB1      SER  75   0.956 -13.878 -13.878
  571   2HB   SER  75           HB2      SER  75   1.816 -14.493 -14.493
  572    HG   SER  75           HG       SER  75   2.048 -16.077 -16.077
  573    H    GLY  76           HN       GLY  76   0.993 -12.462 -12.462
  574   1HA   GLY  76           HA1      GLY  76   0.083 -12.022 -12.022
  575   2HA   GLY  76           HA2      GLY  76   1.748 -12.578 -12.578
  576    H    THR  77           HN       THR  77  -0.226 -10.273 -10.273
  577    HA   THR  77           HA       THR  77   1.808  -8.221  -8.221
  578    HB   THR  77           HB       THR  77   0.860  -7.478  -7.478
  579    HG1  THR  77           HG1      THR  77  -0.196  -9.324  -9.324
  580   1HG2  THR  77          HG22      THR  77   3.311  -8.364  -8.364
  581   2HG2  THR  77          HG21      THR  77   3.054  -9.230  -9.230
  582   3HG2  THR  77          HG23      THR  77   3.021  -7.468  -7.468
  583    H    SER  78           HN       SER  78   0.868  -6.718  -6.718
  584    HA   SER  78           HA       SER  78  -1.981  -6.267  -6.267
  585   1HB   SER  78           HB2      SER  78  -0.221  -4.430  -4.430
  586   2HB   SER  78           HB1      SER  78  -1.739  -5.193  -5.193
  587    HG   SER  78           HG       SER  78   0.873  -6.173  -6.173
  588    HA   PRO  79           HA       PRO  79  -2.448  -2.533  -2.533
  589   1HB   PRO  79           HB1      PRO  79  -2.441  -0.806  -0.806
  590   2HB   PRO  79           HB2      PRO  79  -3.636  -0.922  -0.922
  591   1HG   PRO  79           HG1      PRO  79  -4.108  -1.995  -1.995
  592   2HG   PRO  79           HG2      PRO  79  -4.630  -2.809  -2.809
  593   1HD   PRO  79           HD2      PRO  79  -2.325  -3.428  -3.428
  594   2HD   PRO  79           HD1      PRO  79  -3.386  -4.532  -4.532
  595    H    VAL  80           HN       VAL  80  -0.300  -1.849  -1.849
  596    HA   VAL  80           HA       VAL  80   1.171   0.211   0.211
  597    HB   VAL  80           HB       VAL  80   2.752  -0.158  -0.158
  598   1HG1  VAL  80          HG11      VAL  80   0.364   0.145   0.145
  599   2HG1  VAL  80          HG13      VAL  80   0.379  -1.578  -1.578
  600   3HG1  VAL  80          HG12      VAL  80   1.506  -0.487  -0.487
  601   1HG2  VAL  80          HG23      VAL  80   1.979  -3.069  -3.069
  602   2HG2  VAL  80          HG22      VAL  80   3.487  -2.374  -2.374
  603   3HG2  VAL  80          HG21      VAL  80   3.116  -2.335  -2.335
  604    H    HIS  81           HN       HIS  81   1.598  -3.272  -3.272
  605    HA   HIS  81           HA       HIS  81   4.067  -3.325  -3.325
  606   1HB   HIS  81           HB2      HIS  81   1.621  -5.047  -5.047
  607   2HB   HIS  81           HB1      HIS  81   3.162  -5.386  -5.386
  608    HD2  HIS  81           HD2      HIS  81   4.957  -6.743  -6.743
  609    HE1  HIS  81           HE1      HIS  81   2.828  -6.514  -6.514
  610    HE2  HIS  81           HE2      HIS  81   4.737  -7.645  -7.645
  611    H    ASP  82           HN       ASP  82   0.985  -3.555  -3.555
  612    HA   ASP  82           HA       ASP  82   1.994  -3.028  -3.028
  613   1HB   ASP  82           HB1      ASP  82  -0.658  -1.873  -1.873
  614   2HB   ASP  82           HB2      ASP  82  -0.515  -3.491  -3.491
  615    H    ALA  83           HN       ALA  83   0.749  -0.742  -0.742
  616    HA   ALA  83           HA       ALA  83   0.861   1.587   1.587
  617   1HB   ALA  83           HB2      ALA  83   0.104   1.038   1.038
  618   2HB   ALA  83           HB1      ALA  83   1.654   1.814   1.814
  619   3HB   ALA  83           HB3      ALA  83   0.410   2.675   2.675
  620    H    ALA  84           HN       ALA  84   3.382   0.141   0.141
  621    HA   ALA  84           HA       ALA  84   5.330   2.123   2.123
  622   1HB   ALA  84           HB1      ALA  84   5.133  -0.112  -0.112
  623   2HB   ALA  84           HB3      ALA  84   6.447  -0.507  -0.507
  624   3HB   ALA  84           HB2      ALA  84   6.526   0.962   0.962
  625    H    ARG  85           HN       ARG  85   4.667  -0.994  -0.994
  626    HA   ARG  85           HA       ARG  85   6.866  -0.823  -0.823
  627   1HB   ARG  85           HB1      ARG  85   5.667  -2.936  -2.936
  628   2HB   ARG  85           HB2      ARG  85   4.390  -2.503  -2.503
  629   1HG   ARG  85           HG1      ARG  85   5.540  -3.259  -3.259
  630   2HG   ARG  85           HG2      ARG  85   7.019  -2.444  -2.444
  631   1HD   ARG  85           HD1      ARG  85   7.869  -4.345  -4.345
  632   2HD   ARG  85           HD2      ARG  85   6.429  -4.650  -4.650
  633    HE   ARG  85           HE       ARG  85   5.896  -5.280  -5.280
  634   1HH1  ARG  85          HH21      ARG  85   7.732  -6.427  -6.427
  635   2HH1  ARG  85          HH22      ARG  85   7.687  -8.085  -8.085
  636   1HH2  ARG  85          HH11      ARG  85   5.831  -7.459  -7.459
  637   2HH2  ARG  85          HH12      ARG  85   6.604  -8.672  -8.672
  638    H    THR  86           HN       THR  86   3.496   0.135   0.135
  639    HA   THR  86           HA       THR  86   3.414   0.627   0.627
  640    HB   THR  86           HB       THR  86   1.300   1.858   1.858
  641    HG1  THR  86           HG1      THR  86   0.596   1.636   1.636
  642   1HG2  THR  86          HG23      THR  86   1.817  -0.951  -0.951
  643   2HG2  THR  86          HG22      THR  86   0.383  -0.287  -0.287
  644   3HG2  THR  86          HG21      THR  86   0.546  -0.207  -0.207
  645    H    GLY  87           HN       GLY  87   2.813   3.077   3.077
  646   1HA   GLY  87           HA1      GLY  87   4.764   4.818   4.818
  647   2HA   GLY  87           HA2      GLY  87   4.241   5.016   5.016
  648    H    PHE  88           HN       PHE  88   2.905   4.977   4.977
  649    HA   PHE  88           HA       PHE  88   1.392   7.396   7.396
  650   1HB   PHE  88           HB2      PHE  88   0.220   4.886   4.886
  651   2HB   PHE  88           HB1      PHE  88  -0.594   6.447   6.447
  652    HD1  PHE  88           HD2      PHE  88  -0.320   7.549   7.549
  653    HD2  PHE  88           HD1      PHE  88  -0.721   3.439   3.439
  654    HE1  PHE  88           HE2      PHE  88  -1.254   7.068   7.068
  655    HE2  PHE  88           HE1      PHE  88  -1.654   2.950   2.950
  656    HZ   PHE  88           HZ       PHE  88  -1.922   4.767   4.767
  657    H    LEU  89           HN       LEU  89   3.652   7.563   7.563
  658    HA   LEU  89           HA       LEU  89   3.712   7.119   7.119
  659   1HB   LEU  89           HB2      LEU  89   5.559   8.005   8.005
  660   2HB   LEU  89           HB1      LEU  89   4.819   9.587   9.587
  661    HG   LEU  89           HG       LEU  89   5.236   9.608   9.608
  662   1HD1  LEU  89          HD22      LEU  89   6.086   6.767   6.767
  663   2HD1  LEU  89          HD21      LEU  89   6.639   7.691   7.691
  664   3HD1  LEU  89          HD23      LEU  89   4.915   7.402   7.402
  665   1HD2  LEU  89          HD13      LEU  89   7.670   8.719   8.719
  666   2HD2  LEU  89          HD12      LEU  89   7.045  10.365  10.365
  667   3HD2  LEU  89          HD11      LEU  89   7.685   9.569   9.569
  668    H    ASP  90           HN       ASP  90   1.718   9.298   9.298
  669    HA   ASP  90           HA       ASP  90   1.300  11.267  11.267
  670   1HB   ASP  90           HB1      ASP  90  -0.592  11.954  11.954
  671   2HB   ASP  90           HB2      ASP  90  -0.746  10.365  10.365
  672    H    THR  91           HN       THR  91  -1.129   8.865   8.865
  673    HA   THR  91           HA       THR  91  -2.431   8.983   8.983
  674    HB   THR  91           HB       THR  91  -2.946   6.744   6.744
  675    HG1  THR  91           HG1      THR  91  -4.048   9.257   9.257
  676   1HG2  THR  91          HG22      THR  91  -4.306   7.761   7.761
  677   2HG2  THR  91          HG21      THR  91  -5.179   8.408   8.408
  678   3HG2  THR  91          HG23      THR  91  -4.947   6.667   6.667
  679    H    LEU  92           HN       LEU  92  -0.051   6.917   6.917
  680    HA   LEU  92           HA       LEU  92  -0.247   4.685   4.685
  681   1HB   LEU  92           HB1      LEU  92   1.096   4.526   4.526
  682   2HB   LEU  92           HB2      LEU  92   2.078   5.897   5.897
  683    HG   LEU  92           HG       LEU  92   2.043   3.331   3.331
  684   1HD1  LEU  92          HD11      LEU  92   2.769   3.262   3.262
  685   2HD1  LEU  92          HD13      LEU  92   4.259   3.930   3.930
  686   3HD1  LEU  92          HD12      LEU  92   3.651   2.380   2.380
  687   1HD2  LEU  92          HD21      LEU  92   3.443   5.891   5.891
  688   2HD2  LEU  92          HD23      LEU  92   3.183   4.667   4.667
  689   3HD2  LEU  92          HD22      LEU  92   4.505   4.486   4.486
  690    H    LYS  93           HN       LYS  93   1.302   7.796   7.796
  691    HA   LYS  93           HA       LYS  93   2.786   7.161   7.161
  692   1HB   LYS  93           HB1      LYS  93   2.039   9.588   9.588
  693   2HB   LYS  93           HB2      LYS  93   2.362   9.833   9.833
  694   1HG   LYS  93           HG1      LYS  93   4.441   8.214   8.214
  695   2HG   LYS  93           HG2      LYS  93   4.197   9.393   9.393
  696   1HD   LYS  93           HD1      LYS  93   4.713  11.184  11.184
  697   2HD   LYS  93           HD2      LYS  93   4.280  10.321  10.321
  698   1HE   LYS  93           HE1      LYS  93   6.294   9.194   9.194
  699   2HE   LYS  93           HE2      LYS  93   6.590   9.376   9.376
  700   1HZ   LYS  93           HZ2      LYS  93   6.510  11.934  11.934
  701   2HZ   LYS  93           HZ1      LYS  93   7.400  11.055  11.055
  702   3HZ   LYS  93           HZ3      LYS  93   7.887  11.078  11.078
  703    H    VAL  94           HN       VAL  94  -0.321   8.883   8.883
  704    HA   VAL  94           HA       VAL  94  -0.886   9.330   9.330
  705    HB   VAL  94           HB       VAL  94  -3.332   9.125   9.125
  706   1HG1  VAL  94          HG12      VAL  94  -1.401  11.112  11.112
  707   2HG1  VAL  94          HG11      VAL  94  -2.331  11.085  11.085
  708   3HG1  VAL  94          HG13      VAL  94  -3.152  11.317  11.317
  709   1HG2  VAL  94          HG22      VAL  94  -1.986   8.778   8.778
  710   2HG2  VAL  94          HG21      VAL  94  -3.063   7.635   7.635
  711   3HG2  VAL  94          HG23      VAL  94  -3.687   9.181   9.181
  712    H    LEU  95           HN       LEU  95  -1.741   6.480   6.480
  713    HA   LEU  95           HA       LEU  95  -2.975   5.119   5.119
  714   1HB   LEU  95           HB1      LEU  95  -2.889   3.144   3.144
  715   2HB   LEU  95           HB2      LEU  95  -3.718   4.553   4.553
  716    HG   LEU  95           HG       LEU  95  -1.133   4.894   4.894
  717   1HD1  LEU  95          HD12      LEU  95  -0.858   2.457   2.457
  718   2HD1  LEU  95          HD11      LEU  95  -1.784   2.039   2.039
  719   3HD1  LEU  95          HD13      LEU  95  -0.250   2.895   2.895
  720   1HD2  LEU  95          HD21      LEU  95  -3.594   4.901   4.901
  721   2HD2  LEU  95          HD23      LEU  95  -2.127   4.899   4.899
  722   3HD2  LEU  95          HD22      LEU  95  -2.993   3.391   3.391
  723    H    VAL  96           HN       VAL  96   0.128   4.653   4.653
  724    HA   VAL  96           HA       VAL  96   1.029   2.583   2.583
  725    HB   VAL  96           HB       VAL  96   2.548   4.423   4.423
  726   1HG1  VAL  96          HG13      VAL  96   3.506   2.439   2.439
  727   2HG1  VAL  96          HG12      VAL  96   4.198   2.316   2.316
  728   3HG1  VAL  96          HG11      VAL  96   4.334   3.824   3.824
  729   1HG2  VAL  96          HG22      VAL  96   1.126   1.880   1.880
  730   2HG2  VAL  96          HG21      VAL  96   1.553   3.086   3.086
  731   3HG2  VAL  96          HG23      VAL  96   2.745   1.892   1.892
  732    H    GLU  97           HN       GLU  97   1.883   6.049   6.049
  733    HA   GLU  97           HA       GLU  97   3.701   6.093   6.093
  734   1HB   GLU  97           HB2      GLU  97   3.452   8.409   8.409
  735   2HB   GLU  97           HB1      GLU  97   2.943   7.990   7.990
  736   1HG   GLU  97           HG1      GLU  97   1.039   8.399   8.399
  737   2HG   GLU  97           HG2      GLU  97   1.512   9.673   9.673
  738    H    HIS  98           HN       HIS  98   0.219   5.894   5.894
  739    HA   HIS  98           HA       HIS  98  -0.034   6.530   6.530
  740   1HB   HIS  98           HB1      HIS  98  -1.920   6.799   6.799
  741   2HB   HIS  98           HB2      HIS  98  -1.927   5.067   5.067
  742    HD2  HIS  98           HD2      HIS  98  -4.665   5.963   5.963
  743    HE1  HIS  98           HE1      HIS  98  -3.264   4.928   4.928
  744    HE2  HIS  98           HE2      HIS  98  -5.319   5.252   5.252
  745    H    GLY  99           HN       GLY  99   0.362   3.571   3.571
  746   1HA   GLY  99           HA2      GLY  99   1.692   1.879   1.879
  747   2HA   GLY  99           HA1      GLY  99   0.406   2.047   2.047
  748    H    ALA 100           HN       ALA 100   0.798   1.368   1.368
  749    HA   ALA 100           HA       ALA 100  -1.555  -0.349  -0.349
  750   1HB   ALA 100           HB1      ALA 100   0.199   0.528   0.528
  751   2HB   ALA 100           HB3      ALA 100  -1.234  -0.488  -0.488
  752   3HB   ALA 100           HB2      ALA 100  -1.388   1.170   1.170
  753    H    ASP 101           HN       ASP 101   1.187  -0.959  -0.959
  754    HA   ASP 101           HA       ASP 101   2.483  -2.794  -2.794
  755   1HB   ASP 101           HB1      ASP 101   0.533  -4.089  -4.089
  756   2HB   ASP 101           HB2      ASP 101   0.128  -4.054  -4.054
  757    H    VAL 102           HN       VAL 102   3.940  -1.615  -1.615
  758    HA   VAL 102           HA       VAL 102   4.162  -2.746  -2.746
  759    HB   VAL 102           HB       VAL 102   5.788  -1.086  -1.086
  760   1HG1  VAL 102          HG12      VAL 102   3.285  -0.382  -0.382
  761   2HG1  VAL 102          HG11      VAL 102   4.480   0.872   0.872
  762   3HG1  VAL 102          HG13      VAL 102   4.142   0.399   0.399
  763   1HG2  VAL 102          HG22      VAL 102   6.135  -1.061  -1.061
  764   2HG2  VAL 102          HG21      VAL 102   7.340  -0.984  -0.984
  765   3HG2  VAL 102          HG23      VAL 102   6.407   0.452   0.452
  766    H    ASN 103           HN       ASN 103   4.842  -4.073  -4.073
  767    HA   ASN 103           HA       ASN 103   7.576  -4.919  -4.919
  768   1HB   ASN 103           HB1      ASN 103   6.268  -4.303  -4.303
  769   2HB   ASN 103           HB2      ASN 103   6.867  -5.958  -5.958
  770   1HD2  ASN 103          HD22      ASN 103   9.547  -2.896  -2.896
  771   2HD2  ASN 103          HD21      ASN 103   7.940  -2.755  -2.755
  772    H    ALA 104           HN       ALA 104   5.406  -5.945  -5.945
  773    HA   ALA 104           HA       ALA 104   5.597  -8.775  -8.775
  774   1HB   ALA 104           HB2      ALA 104   3.088  -7.246  -7.246
  775   2HB   ALA 104           HB1      ALA 104   3.186  -8.988  -8.988
  776   3HB   ALA 104           HB3      ALA 104   3.436  -8.323  -8.323
  777    H    LEU 105           HN       LEU 105   6.109 -10.086 -10.086
  778    HA   LEU 105           HA       LEU 105   6.295  -8.956  -8.956
  779   1HB   LEU 105           HB1      LEU 105   7.499 -11.532 -11.532
  780   2HB   LEU 105           HB2      LEU 105   8.259  -9.983  -9.983
  781    HG   LEU 105           HG       LEU 105   9.375 -10.956 -10.956
  782   1HD1  LEU 105          HD23      LEU 105   7.995  -8.533  -8.533
  783   2HD1  LEU 105          HD22      LEU 105   7.894  -9.339  -9.339
  784   3HD1  LEU 105          HD21      LEU 105   9.468  -9.038  -9.038
  785   1HD2  LEU 105          HD13      LEU 105   6.741 -11.936 -11.936
  786   2HD2  LEU 105          HD12      LEU 105   8.335 -12.574 -12.574
  787   3HD2  LEU 105          HD11      LEU 105   7.619 -11.295 -11.295
  788    H    ASP 106           HN       ASP 106   6.253 -10.994 -10.994
  789    HA   ASP 106           HA       ASP 106   3.549 -12.045 -12.045
  790   1HB   ASP 106           HB2      ASP 106   3.724 -10.905 -10.905
  791   2HB   ASP 106           HB1      ASP 106   3.927 -12.593 -12.593
  792    H    SER 107           HN       SER 107   5.524 -13.309 -13.309
  793    HA   SER 107           HA       SER 107   6.032 -15.461 -15.461
  794   1HB   SER 107           HB2      SER 107   4.592 -16.983 -16.983
  795   2HB   SER 107           HB1      SER 107   4.063 -15.816 -15.816
  796    HG   SER 107           HG       SER 107   5.408 -16.693 -16.693
  797    H    THR 108           HN       THR 108   7.513 -13.602 -13.602
  798    HA   THR 108           HA       THR 108   9.497 -15.615 -15.615
  799    HB   THR 108           HB       THR 108   8.476 -14.519 -14.519
  800    HG1  THR 108           HG1      THR 108  11.136 -13.783 -13.783
  801   1HG2  THR 108          HG22      THR 108   7.812 -12.412 -12.412
  802   2HG2  THR 108          HG21      THR 108   9.504 -11.914 -11.914
  803   3HG2  THR 108          HG23      THR 108   8.655 -12.171 -12.171
  804    H    GLY 109           HN       GLY 109   9.011 -13.630 -13.630
  805   1HA   GLY 109           HA1      GLY 109  10.374 -12.581 -12.581
  806   2HA   GLY 109           HA2      GLY 109  11.710 -13.422 -13.422
  807    H    SER 110           HN       SER 110   9.886 -11.485 -11.485
  808    HA   SER 110           HA       SER 110  12.065  -9.530  -9.530
  809   1HB   SER 110           HB1      SER 110   9.850 -10.029 -10.029
  810   2HB   SER 110           HB2      SER 110  11.225  -8.947  -8.947
  811    HG   SER 110           HG       SER 110  12.111 -10.666 -10.666
  812    H    LEU 111           HN       LEU 111  11.520  -8.164  -8.164
  813    HA   LEU 111           HA       LEU 111   9.038  -7.171  -7.171
  814   1HB   LEU 111           HB1      LEU 111  11.796  -6.016  -6.016
  815   2HB   LEU 111           HB2      LEU 111  10.399  -5.094  -5.094
  816    HG   LEU 111           HG       LEU 111  11.044  -7.846  -7.846
  817   1HD1  LEU 111          HD13      LEU 111  12.785  -5.988  -5.988
  818   2HD1  LEU 111          HD12      LEU 111  11.562  -5.306  -5.306
  819   3HD1  LEU 111          HD11      LEU 111  12.193  -6.926  -6.926
  820   1HD2  LEU 111          HD22      LEU 111   8.728  -6.383  -6.383
  821   2HD2  LEU 111          HD21      LEU 111   9.204  -7.664  -7.664
  822   3HD2  LEU 111          HD23      LEU 111   9.536  -5.978  -5.978
  823    HA   PRO 112           HA       PRO 112   7.455  -4.619  -4.619
  824   1HB   PRO 112           HB1      PRO 112   7.118  -2.602  -2.602
  825   2HB   PRO 112           HB2      PRO 112   5.953  -3.155  -3.155
  826   1HG   PRO 112           HG1      PRO 112   5.823  -4.035  -4.035
  827   2HG   PRO 112           HG2      PRO 112   5.507  -5.126  -5.126
  828   1HD   PRO 112           HD2      PRO 112   7.895  -4.946  -4.946
  829   2HD   PRO 112           HD1      PRO 112   7.185  -6.362  -6.362
  830    H    ILE 113           HN       ILE 113   9.621  -3.044  -3.044
  831    HA   ILE 113           HA       ILE 113  10.328  -0.846  -0.846
  832    HB   ILE 113           HB       ILE 113  10.848  -0.822  -0.822
  833   1HG1  ILE 113          HG12      ILE 113  13.011  -0.549  -0.549
  834   2HG1  ILE 113          HG11      ILE 113  12.360   0.638   0.638
  835   1HG2  ILE 113          HG21      ILE 113  11.238  -3.283  -3.283
  836   2HG2  ILE 113          HG23      ILE 113  12.852  -3.018  -3.018
  837   3HG2  ILE 113          HG22      ILE 113  12.399  -2.293  -2.293
  838   1HD1  ILE 113          HD11      ILE 113  13.633  -0.443  -0.443
  839   2HD1  ILE 113          HD13      ILE 113  14.347  -1.530  -1.530
  840   3HD1  ILE 113          HD12      ILE 113  14.653   0.204   0.204
  841    H    HIS 114           HN       HIS 114  11.504  -4.141  -4.141
  842    HA   HIS 114           HA       HIS 114  13.864  -3.735  -3.735
  843   1HB   HIS 114           HB2      HIS 114  12.170  -6.135  -6.135
  844   2HB   HIS 114           HB1      HIS 114  13.513  -6.261  -6.261
  845    HD2  HIS 114           HD2      HIS 114  15.778  -4.599  -4.599
  846    HE1  HIS 114           HE1      HIS 114  14.899  -7.198  -7.198
  847    HE2  HIS 114           HE2      HIS 114  16.663  -5.711  -5.711
  848    H    LEU 115           HN       LEU 115  10.515  -4.160  -4.160
  849    HA   LEU 115           HA       LEU 115  10.989  -4.771  -4.771
  850   1HB   LEU 115           HB2      LEU 115   8.440  -3.489  -3.489
  851   2HB   LEU 115           HB1      LEU 115   8.718  -4.878  -4.878
  852    HG   LEU 115           HG       LEU 115   8.765  -4.829  -4.829
  853   1HD1  LEU 115          HD11      LEU 115   6.574  -4.858  -4.858
  854   2HD1  LEU 115          HD13      LEU 115   7.014  -6.535  -6.535
  855   3HD1  LEU 115          HD12      LEU 115   6.772  -5.991  -5.991
  856   1HD2  LEU 115          HD23      LEU 115  10.330  -6.430  -6.430
  857   2HD2  LEU 115          HD22      LEU 115   9.812  -6.798  -6.798
  858   3HD2  LEU 115          HD21      LEU 115   8.899  -7.424  -7.424
  859    H    ALA 116           HN       ALA 116  10.062  -1.812  -1.812
  860    HA   ALA 116           HA       ALA 116   9.782  -0.101  -0.101
  861   1HB   ALA 116           HB2      ALA 116   9.437   0.306   0.306
  862   2HB   ALA 116           HB1      ALA 116  11.116   0.845   0.845
  863   3HB   ALA 116           HB3      ALA 116   9.908   1.654   1.654
  864    H    ILE 117           HN       ILE 117  12.720  -0.986  -0.986
  865    HA   ILE 117           HA       ILE 117  14.543   0.684   0.684
  866    HB   ILE 117           HB       ILE 117  14.895  -2.129  -2.129
  867   1HG1  ILE 117          HG12      ILE 117  15.848   0.493   0.493
  868   2HG1  ILE 117          HG11      ILE 117  14.308  -0.244  -0.244
  869   1HG2  ILE 117          HG22      ILE 117  16.841  -0.288  -0.288
  870   2HG2  ILE 117          HG21      ILE 117  17.387  -1.297  -1.297
  871   3HG2  ILE 117          HG23      ILE 117  16.704  -2.044  -2.044
  872   1HD1  ILE 117          HD12      ILE 117  16.321  -2.210  -2.210
  873   2HD1  ILE 117          HD11      ILE 117  16.870  -0.734  -0.734
  874   3HD1  ILE 117          HD13      ILE 117  15.324  -1.452  -1.452
  875    H    ARG 118           HN       ARG 118  13.241  -2.418  -2.418
  876    HA   ARG 118           HA       ARG 118  14.927  -2.796  -2.796
  877   1HB   ARG 118           HB1      ARG 118  12.049  -3.682  -3.682
  878   2HB   ARG 118           HB2      ARG 118  13.280  -4.387  -4.387
  879   1HG   ARG 118           HG1      ARG 118  14.292  -4.448  -4.448
  880   2HG   ARG 118           HG2      ARG 118  12.626  -5.027  -5.027
  881   1HD   ARG 118           HD2      ARG 118  14.021  -6.125  -6.125
  882   2HD   ARG 118           HD1      ARG 118  14.886  -6.467  -6.467
  883    HE   ARG 118           HE       ARG 118  12.045  -7.020  -7.020
  884   1HH1  ARG 118          HH21      ARG 118  15.254  -8.257  -8.257
  885   2HH1  ARG 118          HH22      ARG 118  14.802  -9.908  -9.908
  886   1HH2  ARG 118          HH11      ARG 118  11.439  -9.190  -9.190
  887   2HH2  ARG 118          HH12      ARG 118  12.633 -10.440 -10.440
  888    H    GLU 119           HN       GLU 119  12.327  -0.612  -0.612
  889    HA   GLU 119           HA       GLU 119  12.229  -0.010  -0.010
  890   1HB   GLU 119           HB1      GLU 119  10.174   1.017   1.017
  891   2HB   GLU 119           HB2      GLU 119  10.020   0.643   0.643
  892   1HG   GLU 119           HG1      GLU 119   9.155  -1.321  -1.321
  893   2HG   GLU 119           HG2      GLU 119  10.648  -1.765  -1.765
  894    H    GLY 120           HN       GLY 120  12.403   1.463   1.463
  895   1HA   GLY 120           HA2      GLY 120  13.533   3.388   3.388
  896   2HA   GLY 120           HA1      GLY 120  13.993   3.630   3.630
  897    H    HIS 121           HN       HIS 121  10.694   3.068   3.068
  898    HA   HIS 121           HA       HIS 121   9.712   5.280   5.280
  899   1HB   HIS 121           HB2      HIS 121   8.605   3.508   3.508
  900   2HB   HIS 121           HB1      HIS 121   7.702   4.954   4.954
  901    HD2  HIS 121           HD2      HIS 121   7.184   1.568   1.568
  902    HE1  HIS 121           HE1      HIS 121   7.040   3.332   3.332
  903    HE2  HIS 121           HE2      HIS 121   6.626   1.217   1.217
  904    H    SER 122           HN       SER 122  10.488   7.278   7.278
  905    HA   SER 122           HA       SER 122  11.220   9.123   9.123
  906   1HB   SER 122           HB2      SER 122   8.536   8.845   8.845
  907   2HB   SER 122           HB1      SER 122   9.370  10.321  10.321
  908    HG   SER 122           HG       SER 122   7.681   8.770   8.770
  909    H    SER 123           HN       SER 123  10.005   9.803   9.803
  910    HA   SER 123           HA       SER 123  12.106   8.726   8.726
  911   1HB   SER 123           HB2      SER 123  10.112  10.829  10.829
  912   2HB   SER 123           HB1      SER 123  10.310   9.946   9.946
  913    HG   SER 123           HG       SER 123  12.180  11.463  11.463
  914    H    VAL 124           HN       VAL 124   9.588   7.055   7.055
  915    HA   VAL 124           HA       VAL 124   8.212   6.114   6.114
  916    HB   VAL 124           HB       VAL 124   8.973   4.663   4.663
  917   1HG1  VAL 124          HG13      VAL 124   7.911   3.598   3.598
  918   2HG1  VAL 124          HG12      VAL 124   6.681   3.510   3.510
  919   3HG1  VAL 124          HG11      VAL 124   8.262   2.769   2.769
  920   1HG2  VAL 124          HG23      VAL 124   6.832   6.500   6.500
  921   2HG2  VAL 124          HG22      VAL 124   7.450   6.096   6.096
  922   3HG2  VAL 124          HG21      VAL 124   6.274   5.040   5.040
  923    H    VAL 125           HN       VAL 125  11.111   4.756   4.756
  924    HA   VAL 125           HA       VAL 125  11.615   2.680   2.680
  925    HB   VAL 125           HB       VAL 125  14.125   3.335   3.335
  926   1HG1  VAL 125          HG21      VAL 125  11.996   2.083   2.083
  927   2HG1  VAL 125          HG23      VAL 125  13.604   2.305   2.305
  928   3HG1  VAL 125          HG22      VAL 125  13.399   1.346   1.346
  929   1HG2  VAL 125          HG11      VAL 125  12.860   5.510   5.510
  930   2HG2  VAL 125          HG13      VAL 125  14.467   4.940   4.940
  931   3HG2  VAL 125          HG12      VAL 125  13.061   4.465   4.465
  932    H    SER 126           HN       SER 126  12.522   6.091   6.091
  933    HA   SER 126           HA       SER 126  14.077   5.850   5.850
  934   1HB   SER 126           HB2      SER 126  14.173   8.191   8.191
  935   2HB   SER 126           HB1      SER 126  13.950   7.808   7.808
  936    HG   SER 126           HG       SER 126  12.552   9.494   9.494
  937    H    PHE 127           HN       PHE 127  10.677   6.340   6.340
  938    HA   PHE 127           HA       PHE 127   9.994   6.965   6.965
  939   1HB   PHE 127           HB2      PHE 127   8.555   7.659   7.659
  940   2HB   PHE 127           HB1      PHE 127   8.260   5.974   5.974
  941    HD1  PHE 127           HD1      PHE 127   8.329   7.539   7.539
  942    HD2  PHE 127           HD2      PHE 127   5.969   5.722   5.722
  943    HE1  PHE 127           HE1      PHE 127   6.394   7.501   7.501
  944    HE2  PHE 127           HE2      PHE 127   4.028   5.681   5.681
  945    HZ   PHE 127           HZ       PHE 127   4.241   6.572   6.572
  946    H    LEU 128           HN       LEU 128   9.731   4.043   4.043
  947    HA   LEU 128           HA       LEU 128   8.713   2.407   2.407
  948   1HB   LEU 128           HB2      LEU 128   9.502   2.095   2.095
  949   2HB   LEU 128           HB1      LEU 128   9.985   0.719   0.719
  950    HG   LEU 128           HG       LEU 128   7.630   0.816   0.816
  951   1HD1  LEU 128          HD13      LEU 128   8.380  -0.315  -0.315
  952   2HD1  LEU 128          HD12      LEU 128   6.757  -0.558  -0.558
  953   3HD1  LEU 128          HD11      LEU 128   8.161  -1.137  -1.137
  954   1HD2  LEU 128          HD21      LEU 128   7.291   2.964   2.964
  955   2HD2  LEU 128          HD23      LEU 128   5.969   1.948   1.948
  956   3HD2  LEU 128          HD22      LEU 128   6.637   1.697   1.697
  957    H    ALA 129           HN       ALA 129  11.791   3.643   3.643
  958    HA   ALA 129           HA       ALA 129  13.522   1.628   1.628
  959   1HB   ALA 129           HB1      ALA 129  13.656   4.468   4.468
  960   2HB   ALA 129           HB3      ALA 129  14.593   4.004   4.004
  961   3HB   ALA 129           HB2      ALA 129  14.929   3.256   3.256
  962    HA   PRO 130           HA       PRO 130  13.253   2.993   2.993
  963   1HB   PRO 130           HB2      PRO 130  11.745   5.119   5.119
  964   2HB   PRO 130           HB1      PRO 130  13.401   5.289   5.289
  965   1HG   PRO 130           HG2      PRO 130  10.817   5.668   5.668
  966   2HG   PRO 130           HG1      PRO 130  12.296   6.642   6.642
  967   1HD   PRO 130           HD2      PRO 130  11.620   4.774   4.774
  968   2HD   PRO 130           HD1      PRO 130  13.293   5.235   5.235
  969    H    GLU 131           HN       GLU 131  10.076   3.959   3.959
  970    HA   GLU 131           HA       GLU 131   8.452   2.973   2.973
  971   1HB   GLU 131           HB2      GLU 131   8.099   3.911   3.911
  972   2HB   GLU 131           HB1      GLU 131   7.255   2.372   2.372
  973   1HG   GLU 131           HG1      GLU 131   6.866   4.506   4.506
  974   2HG   GLU 131           HG2      GLU 131   5.955   4.495   4.495
  975    H    SER 132           HN       SER 132  10.334   1.223   1.223
  976    HA   SER 132           HA       SER 132   8.929  -1.281  -1.281
  977   1HB   SER 132           HB1      SER 132   9.716  -0.651  -0.651
  978   2HB   SER 132           HB2      SER 132  11.366  -0.885  -0.885
  979    HG   SER 132           HG       SER 132   9.542  -2.934  -2.934
  980    H    ASP 133           HN       ASP 133  11.349  -2.878  -2.878
  981    HA   ASP 133           HA       ASP 133  12.433  -2.580  -2.580
  982   1HB   ASP 133           HB1      ASP 133  12.829  -5.049  -5.049
  983   2HB   ASP 133           HB2      ASP 133  11.254  -4.746  -4.746
  984    H    LEU 134           HN       LEU 134  13.613  -0.796  -0.796
  985    HA   LEU 134           HA       LEU 134  15.622  -1.285  -1.285
  986   1HB   LEU 134           HB2      LEU 134  16.826   0.544   0.544
  987   2HB   LEU 134           HB1      LEU 134  15.694   0.919   0.919
  988    HG   LEU 134           HG       LEU 134  13.905   1.194   1.194
  989   1HD1  LEU 134          HD22      LEU 134  15.340  -0.697  -0.697
  990   2HD1  LEU 134          HD21      LEU 134  15.038   0.732   0.732
  991   3HD1  LEU 134          HD23      LEU 134  13.692  -0.108  -0.108
  992   1HD2  LEU 134          HD13      LEU 134  15.540   3.038   3.038
  993   2HD2  LEU 134          HD12      LEU 134  14.696   2.922   2.922
  994   3HD2  LEU 134          HD11      LEU 134  16.352   2.333   2.333
  995    H    HIS 135           HN       HIS 135  16.559  -3.316  -3.316
  996    HA   HIS 135           HA       HIS 135  19.017  -3.568  -3.568
  997   1HB   HIS 135           HB1      HIS 135  18.589  -2.917  -2.917
  998   2HB   HIS 135           HB2      HIS 135  17.076  -3.816  -3.816
  999    HD2  HIS 135           HD2      HIS 135  17.353  -6.599  -6.599
 1000    HE1  HIS 135           HE1      HIS 135  21.402  -6.297  -6.297
 1001    HE2  HIS 135           HE2      HIS 135  19.422  -7.858  -7.858
 1002    H    HIS 136           HN       HIS 136  15.871  -5.060  -5.060
 1003    HA   HIS 136           HA       HIS 136  16.689  -7.757  -7.757
 1004   1HB   HIS 136           HB2      HIS 136  14.295  -6.633  -6.633
 1005   2HB   HIS 136           HB1      HIS 136  14.326  -6.971  -6.971
 1006    HD2  HIS 136           HD2      HIS 136  13.283  -9.352  -9.352
 1007    HE1  HIS 136           HE1      HIS 136  14.129 -11.245 -11.245
 1008    HE2  HIS 136           HE2      HIS 136  12.912 -11.453 -11.453
 1009    H    ARG 137           HN       ARG 137  16.521  -9.320  -9.320
 1010    HA   ARG 137           HA       ARG 137  17.381  -8.161  -8.161
 1011   1HB   ARG 137           HB1      ARG 137  18.690 -10.621 -10.621
 1012   2HB   ARG 137           HB2      ARG 137  19.222  -9.625  -9.625
 1013   1HG   ARG 137           HG1      ARG 137  20.430  -8.342  -8.342
 1014   2HG   ARG 137           HG2      ARG 137  19.054  -8.059  -8.059
 1015   1HD   ARG 137           HD1      ARG 137  19.997  -9.345  -9.345
 1016   2HD   ARG 137           HD2      ARG 137  19.919 -10.714 -10.714
 1017    HE   ARG 137           HE       ARG 137  22.141  -9.455  -9.455
 1018   1HH1  ARG 137          HH11      ARG 137  21.038 -10.415 -10.415
 1019   2HH1  ARG 137          HH12      ARG 137  22.634 -10.649 -10.649
 1020   1HH2  ARG 137          HH21      ARG 137  24.248  -9.762  -9.762
 1021   2HH2  ARG 137          HH22      ARG 137  24.460 -10.279 -10.279
 1022    H    ASP 138           HN       ASP 138  16.319  -8.964  -8.964
 1023    HA   ASP 138           HA       ASP 138  14.181 -10.689 -10.689
 1024   1HB   ASP 138           HB2      ASP 138  15.928 -10.428 -10.428
 1025   2HB   ASP 138           HB1      ASP 138  14.206 -10.792 -10.792
 1026    H    ALA 139           HN       ALA 139  13.868 -12.882 -12.882
 1027    HA   ALA 139           HA       ALA 139  15.408 -14.787 -14.787
 1028   1HB   ALA 139           HB2      ALA 139  13.821 -15.014 -15.014
 1029   2HB   ALA 139           HB1      ALA 139  14.493 -16.396 -16.396
 1030   3HB   ALA 139           HB3      ALA 139  13.279 -15.375 -15.375
 1031    H    SER 140           HN       SER 140  16.038 -13.092 -13.092
 1032    HA   SER 140           HA       SER 140  17.992 -14.803 -14.803
 1033   1HB   SER 140           HB1      SER 140  17.677 -13.356 -13.356
 1034   2HB   SER 140           HB2      SER 140  16.808 -12.266 -12.266
 1035    HG   SER 140           HG       SER 140  18.728 -11.279 -11.279
 1036    H    GLY 141           HN       GLY 141  18.216 -11.872 -11.872
 1037   1HA   GLY 141           HA2      GLY 141  19.855 -11.924 -11.924
 1038   2HA   GLY 141           HA1      GLY 141  20.960 -12.699 -12.699
 1039    H    LEU 142           HN       LEU 142  18.914  -9.773  -9.773
 1040    HA   LEU 142           HA       LEU 142  21.297  -8.152  -8.152
 1041   1HB   LEU 142           HB1      LEU 142  18.918  -7.755  -7.755
 1042   2HB   LEU 142           HB2      LEU 142  20.551  -7.153  -7.153
 1043    HG   LEU 142           HG       LEU 142  20.147 -10.102 -10.102
 1044   1HD1  LEU 142          HD11      LEU 142  19.331  -8.220  -8.220
 1045   2HD1  LEU 142          HD13      LEU 142  19.674  -9.930  -9.930
 1046   3HD1  LEU 142          HD12      LEU 142  18.342  -9.443  -9.443
 1047   1HD2  LEU 142          HD23      LEU 142  22.381  -9.091  -9.091
 1048   2HD2  LEU 142          HD22      LEU 142  21.954  -9.990  -9.990
 1049   3HD2  LEU 142          HD21      LEU 142  21.880  -8.227  -8.227
 1050    H    THR 143           HN       THR 143  21.142  -6.888  -6.888
 1051    HA   THR 143           HA       THR 143  18.716  -6.031  -6.031
 1052    HB   THR 143           HB       THR 143  20.583  -4.207  -4.207
 1053    HG1  THR 143           HG1      THR 143  22.501  -4.916  -4.916
 1054   1HG2  THR 143          HG23      THR 143  19.191  -6.188  -6.188
 1055   2HG2  THR 143          HG22      THR 143  20.827  -6.836  -6.836
 1056   3HG2  THR 143          HG21      THR 143  20.455  -5.257  -5.257
 1057    HA   PRO 144           HA       PRO 144  17.310  -2.285  -2.285
 1058   1HB   PRO 144           HB2      PRO 144  18.695  -0.720  -0.720
 1059   2HB   PRO 144           HB1      PRO 144  17.044  -0.567  -0.567
 1060   1HG   PRO 144           HG2      PRO 144  17.549  -1.795  -1.795
 1061   2HG   PRO 144           HG1      PRO 144  16.279  -2.375  -2.375
 1062   1HD   PRO 144           HD2      PRO 144  18.941  -3.542  -3.542
 1063   2HD   PRO 144           HD1      PRO 144  17.451  -4.340  -4.340
 1064    H    LEU 145           HN       LEU 145  20.613  -1.970  -1.970
 1065    HA   LEU 145           HA       LEU 145  21.425  -0.071  -0.071
 1066   1HB   LEU 145           HB1      LEU 145  22.403  -0.650  -0.650
 1067   2HB   LEU 145           HB2      LEU 145  23.393  -1.767  -1.767
 1068    HG   LEU 145           HG       LEU 145  24.468  -0.031  -0.031
 1069   1HD1  LEU 145          HD23      LEU 145  22.200   1.693   1.693
 1070   2HD1  LEU 145          HD22      LEU 145  23.705   2.375   2.375
 1071   3HD1  LEU 145          HD21      LEU 145  22.711   1.350   1.350
 1072   1HD2  LEU 145          HD11      LEU 145  25.163  -0.256  -0.256
 1073   2HD2  LEU 145          HD13      LEU 145  25.385   1.380   1.380
 1074   3HD2  LEU 145          HD12      LEU 145  24.022   1.015   1.015
 1075    H    GLU 146           HN       GLU 146  21.578  -3.558  -3.558
 1076    HA   GLU 146           HA       GLU 146  23.399  -4.106  -4.106
 1077   1HB   GLU 146           HB1      GLU 146  21.160  -5.703  -5.703
 1078   2HB   GLU 146           HB2      GLU 146  22.157  -6.351  -6.351
 1079   1HG   GLU 146           HG2      GLU 146  23.962  -6.620  -6.620
 1080   2HG   GLU 146           HG1      GLU 146  23.583  -5.207  -5.207
 1081    H    LEU 147           HN       LEU 147  19.841  -4.406  -4.406
 1082    HA   LEU 147           HA       LEU 147  19.571  -4.822  -4.822
 1083   1HB   LEU 147           HB2      LEU 147  17.859  -4.288  -4.288
 1084   2HB   LEU 147           HB1      LEU 147  17.416  -3.169  -3.169
 1085    HG   LEU 147           HG       LEU 147  17.551  -6.173  -6.173
 1086   1HD1  LEU 147          HD13      LEU 147  15.431  -4.330  -4.330
 1087   2HD1  LEU 147          HD12      LEU 147  14.970  -5.458  -5.458
 1088   3HD1  LEU 147          HD11      LEU 147  15.597  -6.067  -6.067
 1089   1HD2  LEU 147          HD23      LEU 147  16.792  -3.974  -3.974
 1090   2HD2  LEU 147          HD22      LEU 147  18.031  -5.212  -5.212
 1091   3HD2  LEU 147          HD21      LEU 147  16.325  -5.658  -5.658
 1092    H    ALA 148           HN       ALA 148  19.949  -1.801  -1.801
 1093    HA   ALA 148           HA       ALA 148  19.356  -0.042  -0.042
 1094   1HB   ALA 148           HB1      ALA 148  20.739   0.178   0.178
 1095   2HB   ALA 148           HB3      ALA 148  21.088   1.426   1.426
 1096   3HB   ALA 148           HB2      ALA 148  19.427   1.144   1.144
 1097    H    ARG 149           HN       ARG 149  22.139  -1.962  -1.962
 1098    HA   ARG 149           HA       ARG 149  23.983  -0.548  -0.548
 1099   1HB   ARG 149           HB2      ARG 149  24.563  -2.133  -2.133
 1100   2HB   ARG 149           HB1      ARG 149  24.187  -3.446  -3.446
 1101   1HG   ARG 149           HG2      ARG 149  25.907  -2.541  -2.541
 1102   2HG   ARG 149           HG1      ARG 149  26.345  -1.373  -1.373
 1103   1HD   ARG 149           HD1      ARG 149  27.218  -2.993  -2.993
 1104   2HD   ARG 149           HD2      ARG 149  26.275  -4.285  -4.285
 1105    HE   ARG 149           HE       ARG 149  27.896  -3.568  -3.568
 1106   1HH1  ARG 149          HH21      ARG 149  28.526  -4.266  -4.266
 1107   2HH1  ARG 149          HH22      ARG 149  30.122  -4.873  -4.873
 1108   1HH2  ARG 149          HH11      ARG 149  29.995  -4.370  -4.370
 1109   2HH2  ARG 149          HH12      ARG 149  30.957  -4.933  -4.933
 1110    H    GLN 150           HN       GLN 150  21.990  -3.445  -3.445
 1111    HA   GLN 150           HA       GLN 150  22.734  -3.980  -3.980
 1112   1HB   GLN 150           HB1      GLN 150  21.983  -5.838  -5.838
 1113   2HB   GLN 150           HB2      GLN 150  20.540  -4.986  -4.986
 1114   1HG   GLN 150           HG1      GLN 150  19.597  -6.309  -6.309
 1115   2HG   GLN 150           HG2      GLN 150  20.061  -4.966  -4.966
 1116   1HE2  GLN 150          HE22      GLN 150  21.873  -8.593  -8.593
 1117   2HE2  GLN 150          HE21      GLN 150  20.853  -8.204  -8.204
 1118    H    ARG 151           HN       ARG 151  19.351  -3.739  -3.739
 1119    HA   ARG 151           HA       ARG 151  18.805  -2.115  -2.115
 1120   1HB   ARG 151           HB2      ARG 151  16.969  -3.003  -3.003
 1121   2HB   ARG 151           HB1      ARG 151  16.460  -2.275  -2.275
 1122   1HG   ARG 151           HG2      ARG 151  16.884  -4.169  -4.169
 1123   2HG   ARG 151           HG1      ARG 151  18.098  -4.759  -4.759
 1124   1HD   ARG 151           HD1      ARG 151  16.063  -4.909  -4.909
 1125   2HD   ARG 151           HD2      ARG 151  15.121  -4.926  -4.926
 1126    HE   ARG 151           HE       ARG 151  16.579  -7.084  -7.084
 1127   1HH1  ARG 151          HH11      ARG 151  15.836  -5.555  -5.555
 1128   2HH1  ARG 151          HH12      ARG 151  16.029  -7.006  -7.006
 1129   1HH2  ARG 151          HH21      ARG 151  16.833  -9.001  -9.001
 1130   2HH2  ARG 151          HH22      ARG 151  16.594  -8.965  -8.965
 1131    H    GLY 152           HN       GLY 152  20.528  -0.681  -0.681
 1132   1HA   GLY 152           HA2      GLY 152  19.470   0.965   0.965
 1133   2HA   GLY 152           HA1      GLY 152  20.780   1.424   1.424
 1134    H    ALA 153           HN       ALA 153  18.734   0.927   0.927
 1135    HA   ALA 153           HA       ALA 153  17.313   2.192   2.192
 1136   1HB   ALA 153           HB2      ALA 153  15.818   1.965   1.965
 1137   2HB   ALA 153           HB1      ALA 153  16.557   3.377   3.377
 1138   3HB   ALA 153           HB3      ALA 153  15.646   3.553   3.553
 1139    H    GLN 154           HN       GLN 154  18.361   4.348   4.348
 1140    HA   GLN 154           HA       GLN 154  19.974   5.951   5.951
 1141   1HB   GLN 154           HB2      GLN 154  17.972   7.544   7.544
 1142   2HB   GLN 154           HB1      GLN 154  18.691   7.851   7.851
 1143   1HG   GLN 154           HG2      GLN 154  16.435   7.457   7.457
 1144   2HG   GLN 154           HG1      GLN 154  17.238   5.945   5.945
 1145   1HE2  GLN 154          HE22      GLN 154  15.950   5.101   5.101
 1146   2HE2  GLN 154          HE21      GLN 154  17.429   5.891   5.891
 1147    H    ASN 155           HN       ASN 155  19.482   8.156   8.156
 1148    HA   ASN 155           HA       ASN 155  21.642   7.330   7.330
 1149   1HB   ASN 155           HB2      ASN 155  19.808   9.724   9.724
 1150   2HB   ASN 155           HB1      ASN 155  21.318   9.497   9.497
 1151   1HD2  ASN 155          HD22      ASN 155  23.341  10.631  10.631
 1152   2HD2  ASN 155          HD21      ASN 155  23.196  10.022  10.022
 1153    H    LEU 156           HN       LEU 156  18.686   6.117   6.117
 1154    HA   LEU 156           HA       LEU 156  17.550   6.521   6.521
 1155   1HB   LEU 156           HB2      LEU 156  16.245   4.693   4.693
 1156   2HB   LEU 156           HB1      LEU 156  16.829   5.029   5.029
 1157    HG   LEU 156           HG       LEU 156  18.615   3.276   3.276
 1158   1HD1  LEU 156          HD22      LEU 156  17.096   3.095   3.095
 1159   2HD1  LEU 156          HD21      LEU 156  17.562   1.571   1.571
 1160   3HD1  LEU 156          HD23      LEU 156  18.795   2.760   2.760
 1161   1HD2  LEU 156          HD13      LEU 156  16.182   3.084   3.084
 1162   2HD2  LEU 156          HD12      LEU 156  17.290   1.717   1.717
 1163   3HD2  LEU 156          HD11      LEU 156  16.002   1.912   1.912
 1164    H    MET 157           HN       MET 157  20.328   4.528   4.528
 1165    HA   MET 157           HA       MET 157  20.538   3.002   3.002
 1166   1HB   MET 157           HB1      MET 157  22.710   2.572   2.572
 1167   2HB   MET 157           HB2      MET 157  22.013   3.132   3.132
 1168   1HG   MET 157           HG1      MET 157  24.020   4.260   4.260
 1169   2HG   MET 157           HG2      MET 157  22.875   5.447   5.447
 1170   1HE   MET 157           HE1      MET 157  25.333   2.656   2.656
 1171   2HE   MET 157           HE3      MET 157  25.820   2.993   2.993
 1172   3HE   MET 157           HE2      MET 157  24.221   2.328   2.328
 1173    H    ASP 158           HN       ASP 158  21.094   6.387   6.387
 1174    HA   ASP 158           HA       ASP 158  22.547   6.825   6.825
 1175   1HB   ASP 158           HB2      ASP 158  21.430   9.264   9.264
 1176   2HB   ASP 158           HB1      ASP 158  21.591   8.429   8.429
 1177    H    ILE 159           HN       ILE 159  19.208   7.551   7.551
 1178    HA   ILE 159           HA       ILE 159  18.298   8.653   8.653
 1179    HB   ILE 159           HB       ILE 159  16.196   6.976   6.976
 1180   1HG1  ILE 159          HG12      ILE 159  17.499   8.606   8.606
 1181   2HG1  ILE 159          HG11      ILE 159  17.684   6.865   6.865
 1182   1HG2  ILE 159          HG21      ILE 159  16.752   9.928   9.928
 1183   2HG2  ILE 159          HG23      ILE 159  15.211   9.182   9.182
 1184   3HG2  ILE 159          HG22      ILE 159  15.817   9.084   9.084
 1185   1HD1  ILE 159          HD11      ILE 159  15.051   8.257   8.257
 1186   2HD1  ILE 159          HD13      ILE 159  15.984   7.529   7.529
 1187   3HD1  ILE 159          HD12      ILE 159  15.347   6.518   6.518
 1188    H    LEU 160           HN       LEU 160  18.439   5.205   5.205
 1189    HA   LEU 160           HA       LEU 160  17.286   4.356   4.356
 1190   1HB   LEU 160           HB1      LEU 160  19.008   2.503   2.503
 1191   2HB   LEU 160           HB2      LEU 160  17.443   2.228   2.228
 1192    HG   LEU 160           HG       LEU 160  18.055   3.508   3.508
 1193   1HD1  LEU 160          HD12      LEU 160  17.059   0.964   0.964
 1194   2HD1  LEU 160          HD11      LEU 160  15.898   1.755   1.755
 1195   3HD1  LEU 160          HD13      LEU 160  17.548   1.468   1.468
 1196   1HD2  LEU 160          HD22      LEU 160  15.785   4.010   4.010
 1197   2HD2  LEU 160          HD21      LEU 160  16.460   5.007   5.007
 1198   3HD2  LEU 160          HD23      LEU 160  15.379   3.668   3.668
 1199    H    GLN 161           HN       GLN 161  20.371   5.420   5.420
 1200    HA   GLN 161           HA       GLN 161  21.927   3.905   3.905
 1201   1HB   GLN 161           HB1      GLN 161  22.481   5.583   5.583
 1202   2HB   GLN 161           HB2      GLN 161  22.987   6.536   6.536
 1203   1HG   GLN 161           HG2      GLN 161  24.059   4.088   4.088
 1204   2HG   GLN 161           HG1      GLN 161  24.190   4.162   4.162
 1205   1HE2  GLN 161          HE22      GLN 161  27.110   5.736   5.736
 1206   2HE2  GLN 161          HE21      GLN 161  26.206   4.298   4.298
 1207    H    GLY 162           HN       GLY 162  20.836   7.305   7.305
 1208   1HA   GLY 162           HA2      GLY 162  21.741   7.863   7.863
 1209   2HA   GLY 162           HA1      GLY 162  20.536   8.786   8.786
 1210    H    HIS 163           HN       HIS 163  18.565   6.843   6.843
 1211    HA   HIS 163           HA       HIS 163  17.296   6.967   6.967
 1212   1HB   HIS 163           HB2      HIS 163  16.597   5.914   5.914
 1213   2HB   HIS 163           HB1      HIS 163  15.691   5.284   5.284
 1214    HD2  HIS 163           HD2      HIS 163  14.347   7.276   7.276
 1215    HE1  HIS 163           HE1      HIS 163  14.261   9.998   9.998
 1216    HE2  HIS 163           HE2      HIS 163  13.208   9.371   9.371
 1217    H    MET 164           HN       MET 164  19.534   4.822   4.822
 1218    HA   MET 164           HA       MET 164  18.604   2.458   2.458
 1219   1HB   MET 164           HB1      MET 164  20.709   3.127   3.127
 1220   2HB   MET 164           HB2      MET 164  21.215   1.959   1.959
 1221   1HG   MET 164           HG1      MET 164  18.594   1.375   1.375
 1222   2HG   MET 164           HG2      MET 164  19.877   1.401   1.401
 1223   1HE   MET 164           HE2      MET 164  21.964   0.408   0.408
 1224   2HE   MET 164           HE1      MET 164  22.501  -0.825  -0.825
 1225   3HE   MET 164           HE3      MET 164  21.596  -1.290  -1.290
 1226    H    MET 165           HN       MET 165  20.869   1.356   1.356
 1227    HA   MET 165           HA       MET 165  21.681   3.239   3.239
 1228   1HB   MET 165           HB2      MET 165  20.156   0.832   0.832
 1229   2HB   MET 165           HB1      MET 165  21.710   0.605   0.605
 1230   1HG   MET 165           HG2      MET 165  19.609   2.662   2.662
 1231   2HG   MET 165           HG1      MET 165  20.257   1.418   1.418
 1232   1HE   MET 165           HE2      MET 165  22.971   1.272   1.272
 1233   2HE   MET 165           HE1      MET 165  24.011   2.664   2.664
 1234   3HE   MET 165           HE3      MET 165  23.064   1.967   1.967
 1235    H    ILE 166           HN       ILE 166  22.711   1.379   1.379
 1236    HA   ILE 166           HA       ILE 166  24.652   0.231   0.231
 1237    HB   ILE 166           HB       ILE 166  26.672   1.805   1.805
 1238   1HG1  ILE 166          HG11      ILE 166  24.330   3.711   3.711
 1239   2HG1  ILE 166          HG12      ILE 166  25.090   3.102   3.102
 1240   1HG2  ILE 166          HG22      ILE 166  25.957   1.389   1.389
 1241   2HG2  ILE 166          HG21      ILE 166  24.613   2.513   2.513
 1242   3HG2  ILE 166          HG23      ILE 166  26.273   3.107   3.107
 1243   1HD1  ILE 166          HD13      ILE 166  27.238   4.022   4.022
 1244   2HD1  ILE 166          HD12      ILE 166  25.980   5.165   5.165
 1245   3HD1  ILE 166          HD11      ILE 166  26.362   4.923   4.923
 1246    HA   PRO 167           HA       PRO 167  25.491  -1.150  -1.150
 1247   1HB   PRO 167           HB2      PRO 167  24.291  -3.568  -3.568
 1248   2HB   PRO 167           HB1      PRO 167  23.413  -2.098  -2.098
 1249   1HG   PRO 167           HG2      PRO 167  23.534  -3.520  -3.520
 1250   2HG   PRO 167           HG1      PRO 167  22.131  -2.823  -2.823
 1251   1HD   PRO 167           HD2      PRO 167  23.429  -1.562  -1.562
 1252   2HD   PRO 167           HD1      PRO 167  22.611  -0.690  -0.690
 1253    H    MET 168           HN       MET 168  26.263  -1.937  -1.937
 1254    HA   MET 168           HA       MET 168  28.315  -3.845  -3.845
 1255   1HB   MET 168           HB1      MET 168  28.077  -5.128  -5.128
 1256   2HB   MET 168           HB2      MET 168  26.494  -4.989  -4.989
 1257   1HG   MET 168           HG2      MET 168  25.635  -3.806  -3.806
 1258   2HG   MET 168           HG1      MET 168  27.130  -2.913  -2.913
 1259   1HE   MET 168           HE3      MET 168  26.467  -6.546  -6.546
 1260   2HE   MET 168           HE2      MET 168  26.715  -7.291  -7.291
 1261   3HE   MET 168           HE1      MET 168  28.103  -6.810  -6.810

  Start of MODEL    9
    1   1H    GLY   1           HT2      GLY   1 -30.769 -24.313 -24.313
    2   2H    GLY   1           HT1      GLY   1 -29.611 -24.291 -24.291
    3   3H    GLY   1           HT3      GLY   1 -30.803 -23.093 -23.093
    4   1HA   GLY   1           HA1      GLY   1 -28.887 -22.057 -22.057
    5   2HA   GLY   1           HA2      GLY   1 -28.477 -23.467 -23.467
    6    H    SER   2           HN       SER   2 -30.243 -20.522 -20.522
    7    HA   SER   2           HA       SER   2 -31.230 -20.993 -20.993
    8   1HB   SER   2           HB2      SER   2 -33.016 -19.323 -19.323
    9   2HB   SER   2           HB1      SER   2 -33.115 -20.783 -20.783
   10    HG   SER   2           HG       SER   2 -32.968 -18.301 -18.301
   11    H    MET   3           HN       MET   3 -28.640 -20.095 -20.095
   12    HA   MET   3           HA       MET   3 -27.220 -18.541 -18.541
   13   1HB   MET   3           HB1      MET   3 -29.725 -17.912 -17.912
   14   2HB   MET   3           HB2      MET   3 -28.924 -16.409 -16.409
   15   1HG   MET   3           HG2      MET   3 -27.571 -16.581 -16.581
   16   2HG   MET   3           HG1      MET   3 -27.016 -18.162 -18.162
   17   1HE   MET   3           HE3      MET   3 -26.796 -17.399 -17.399
   18   2HE   MET   3           HE2      MET   3 -27.653 -18.475 -18.475
   19   3HE   MET   3           HE1      MET   3 -28.280 -16.858 -16.858
   20    H    LEU   4           HN       LEU   4 -29.873 -16.429 -16.429
   21    HA   LEU   4           HA       LEU   4 -29.968 -14.778 -14.778
   22   1HB   LEU   4           HB2      LEU   4 -28.068 -16.708 -16.708
   23   2HB   LEU   4           HB1      LEU   4 -28.455 -15.183 -15.183
   24    HG   LEU   4           HG       LEU   4 -30.848 -16.614 -16.614
   25   1HD1  LEU   4          HD12      LEU   4 -28.779 -18.254 -18.254
   26   2HD1  LEU   4          HD11      LEU   4 -29.909 -18.040 -18.040
   27   3HD1  LEU   4          HD13      LEU   4 -30.480 -18.667 -18.667
   28   1HD2  LEU   4          HD23      LEU   4 -30.603 -14.677 -14.677
   29   2HD2  LEU   4          HD22      LEU   4 -31.597 -16.026 -16.026
   30   3HD2  LEU   4          HD21      LEU   4 -29.951 -15.839 -15.839
   31    H    LEU   5           HN       LEU   5 -28.434 -13.230 -13.230
   32    HA   LEU   5           HA       LEU   5 -26.070 -12.592 -12.592
   33   1HB   LEU   5           HB2      LEU   5 -28.438 -10.909 -10.909
   34   2HB   LEU   5           HB1      LEU   5 -26.875 -10.120 -10.120
   35    HG   LEU   5           HG       LEU   5 -27.985 -11.579 -11.579
   36   1HD1  LEU   5          HD11      LEU   5 -29.109  -9.455  -9.455
   37   2HD1  LEU   5          HD13      LEU   5 -27.547  -8.637  -8.637
   38   3HD1  LEU   5          HD12      LEU   5 -28.113  -9.368  -9.368
   39   1HD2  LEU   5          HD23      LEU   5 -25.307 -10.930 -10.930
   40   2HD2  LEU   5          HD22      LEU   5 -25.909 -11.670 -11.670
   41   3HD2  LEU   5          HD21      LEU   5 -25.795  -9.915  -9.915
   42    HA   GLU   6           HA       GLU   6 -24.635 -11.463 -11.463
   43   1HB   GLU   6           HB2      GLU   6 -21.953 -11.171 -11.171
   44   2HB   GLU   6           HB1      GLU   6 -22.753 -12.644 -12.644
   45   1HG   GLU   6           HG2      GLU   6 -21.579 -12.053 -12.053
   46   2HG   GLU   6           HG1      GLU   6 -22.291 -13.563 -13.563
   47    HE1  GLU   6           HN       GLU   6 -24.528 -11.160 -11.160
   48    H    GLU   7           HN       GLU   7 -25.758  -9.231  -9.231
   49    HA   GLU   7           HA       GLU   7 -25.767  -6.963  -6.963
   50   1HB   GLU   7           HB1      GLU   7 -23.664  -7.799  -7.799
   51   2HB   GLU   7           HB2      GLU   7 -23.647  -6.108  -6.108
   52   1HG   GLU   7           HG2      GLU   7 -26.309  -6.632  -6.632
   53   2HG   GLU   7           HG1      GLU   7 -25.414  -7.498  -7.498
   54    H    VAL   8           HN       VAL   8 -24.515  -8.170  -8.170
   55    HA   VAL   8           HA       VAL   8 -22.112  -6.678  -6.678
   56    HB   VAL   8           HB       VAL   8 -23.802  -8.434  -8.434
   57   1HG1  VAL   8          HG11      VAL   8 -21.237  -6.960  -6.960
   58   2HG1  VAL   8          HG13      VAL   8 -21.579  -8.459  -8.459
   59   3HG1  VAL   8          HG12      VAL   8 -22.659  -7.074  -7.074
   60   1HG2  VAL   8          HG21      VAL   8 -21.732  -8.980  -8.980
   61   2HG2  VAL   8          HG23      VAL   8 -22.896 -10.070 -10.070
   62   3HG2  VAL   8          HG22      VAL   8 -21.388  -9.679  -9.679
   63    H    CYS   9           HN       CYS   9 -25.429  -6.077  -6.077
   64    HA   CYS   9           HA       CYS   9 -26.055  -4.741  -4.741
   65   1HB   CYS   9           HB2      CYS   9 -27.454  -4.836  -4.836
   66   2HB   CYS   9           HB1      CYS   9 -26.468  -3.548  -3.548
   67    HG   CYS   9           HG       CYS   9 -27.771  -2.749  -2.749
   68    H    VAL  10           HN       VAL  10 -23.803  -3.582  -3.582
   69    HA   VAL  10           HA       VAL  10 -23.172  -1.277  -1.277
   70    HB   VAL  10           HB       VAL  10 -22.845  -1.690  -1.690
   71   1HG1  VAL  10          HG11      VAL  10 -21.605   0.442   0.442
   72   2HG1  VAL  10          HG13      VAL  10 -21.752   0.553   0.553
   73   3HG1  VAL  10          HG12      VAL  10 -20.774  -0.723  -0.723
   74   1HG2  VAL  10          HG21      VAL  10 -24.817  -0.478  -0.478
   75   2HG2  VAL  10          HG23      VAL  10 -24.666  -0.433  -0.433
   76   3HG2  VAL  10          HG22      VAL  10 -23.930   0.833   0.833
   77    H    GLY  11           HN       GLY  11 -21.993  -4.236  -4.236
   78   1HA   GLY  11           HA2      GLY  11 -19.276  -3.913  -3.913
   79   2HA   GLY  11           HA1      GLY  11 -20.037  -5.370  -5.370
   80    H    ASP  12           HN       ASP  12 -21.201  -3.643  -3.643
   81    HA   ASP  12           HA       ASP  12 -18.750  -3.517  -3.517
   82   1HB   ASP  12           HB2      ASP  12 -20.369  -3.965  -3.965
   83   2HB   ASP  12           HB1      ASP  12 -20.005  -5.313  -5.313
   84    H    ARG  13           HN       ARG  13 -19.987  -1.379  -1.379
   85    HA   ARG  13           HA       ARG  13 -20.836   0.440   0.440
   86   1HB   ARG  13           HB1      ARG  13 -22.530   0.335   0.335
   87   2HB   ARG  13           HB2      ARG  13 -21.362   0.465   0.465
   88   1HG   ARG  13           HG1      ARG  13 -21.404   2.687   2.687
   89   2HG   ARG  13           HG2      ARG  13 -21.260   2.736   2.736
   90   1HD   ARG  13           HD2      ARG  13 -23.781   2.336   2.336
   91   2HD   ARG  13           HD1      ARG  13 -23.341   3.754   3.754
   92    HE   ARG  13           HE       ARG  13 -23.814   2.579   2.579
   93   1HH1  ARG  13          HH11      ARG  13 -24.295   0.583   0.583
   94   2HH1  ARG  13          HH12      ARG  13 -25.227  -0.604  -0.604
   95   1HH2  ARG  13          HH21      ARG  13 -25.039   1.015   1.015
   96   2HH2  ARG  13          HH22      ARG  13 -25.648  -0.361  -0.361
   97    H    LEU  14           HN       LEU  14 -19.381   1.003   1.003
   98    HA   LEU  14           HA       LEU  14 -17.775   3.139   3.139
   99   1HB   LEU  14           HB2      LEU  14 -18.278   3.440   3.440
  100   2HB   LEU  14           HB1      LEU  14 -18.122   1.738   1.738
  101    HG   LEU  14           HG       LEU  14 -16.388   3.303   3.303
  102   1HD1  LEU  14          HD11      LEU  14 -16.227   0.685   0.685
  103   2HD1  LEU  14          HD13      LEU  14 -14.753   1.422   1.422
  104   3HD1  LEU  14          HD12      LEU  14 -15.108   1.497   1.497
  105   1HD2  LEU  14          HD23      LEU  14 -16.062   3.955   3.955
  106   2HD2  LEU  14          HD22      LEU  14 -15.285   4.671   4.671
  107   3HD2  LEU  14          HD21      LEU  14 -14.558   3.273   3.273
  108    H    SER  15           HN       SER  15 -17.210  -0.263  -0.263
  109    HA   SER  15           HA       SER  15 -14.419  -0.291  -0.291
  110   1HB   SER  15           HB1      SER  15 -16.500  -2.210  -2.210
  111   2HB   SER  15           HB2      SER  15 -15.458  -2.649  -2.649
  112    HG   SER  15           HG       SER  15 -13.862  -3.068  -3.068
  113    H    GLY  16           HN       GLY  16 -16.810  -0.434  -0.434
  114   1HA   GLY  16           HA1      GLY  16 -14.892  -0.843  -0.843
  115   2HA   GLY  16           HA2      GLY  16 -16.573  -0.375  -0.375
  116    H    ALA  17           HN       ALA  17 -16.538   2.000   2.000
  117    HA   ALA  17           HA       ALA  17 -15.562   3.821   3.821
  118   1HB   ALA  17           HB2      ALA  17 -17.235   3.921   3.921
  119   2HB   ALA  17           HB1      ALA  17 -16.035   5.210   5.210
  120   3HB   ALA  17           HB3      ALA  17 -17.080   5.094   5.094
  121    H    ALA  18           HN       ALA  18 -14.476   3.002   3.002
  122    HA   ALA  18           HA       ALA  18 -12.395   4.808   4.808
  123   1HB   ALA  18           HB2      ALA  18 -13.099   2.224   2.224
  124   2HB   ALA  18           HB1      ALA  18 -11.383   2.630   2.630
  125   3HB   ALA  18           HB3      ALA  18 -12.579   3.728   3.728
  126    H    ALA  19           HN       ALA  19 -12.416   1.647   1.647
  127    HA   ALA  19           HA       ALA  19  -9.634   1.674   1.674
  128   1HB   ALA  19           HB3      ALA  19 -11.277  -0.329  -0.329
  129   2HB   ALA  19           HB2      ALA  19 -11.625   0.032   0.032
  130   3HB   ALA  19           HB1      ALA  19  -9.981  -0.372  -0.372
  131    H    ARG  20           HN       ARG  20 -12.402   3.139   3.139
  132    HA   ARG  20           HA       ARG  20 -11.477   3.296   3.296
  133   1HB   ARG  20           HB2      ARG  20 -13.592   4.810   4.810
  134   2HB   ARG  20           HB1      ARG  20 -13.244   5.113   5.113
  135   1HG   ARG  20           HG1      ARG  20 -13.571   2.383   2.383
  136   2HG   ARG  20           HG2      ARG  20 -14.773   2.978   2.978
  137   1HD   ARG  20           HD2      ARG  20 -14.838   4.657   4.657
  138   2HD   ARG  20           HD1      ARG  20 -14.870   2.985   2.985
  139    HE   ARG  20           HE       ARG  20 -16.706   3.512   3.512
  140   1HH1  ARG  20          HH21      ARG  20 -16.233   3.620   3.620
  141   2HH1  ARG  20          HH22      ARG  20 -17.924   3.529   3.529
  142   1HH2  ARG  20          HH11      ARG  20 -18.934   3.390   3.390
  143   2HH2  ARG  20          HH12      ARG  20 -19.459   3.397   3.397
  144    H    GLY  21           HN       GLY  21 -10.991   5.163   5.163
  145   1HA   GLY  21           HA1      GLY  21  -9.387   6.774   6.774
  146   2HA   GLY  21           HA2      GLY  21  -8.876   6.651   6.651
  147    H    ASP  22           HN       ASP  22 -11.680   7.799   7.799
  148    HA   ASP  22           HA       ASP  22 -11.624  10.260  10.260
  149   1HB   ASP  22           HB2      ASP  22 -14.265   9.153   9.153
  150   2HB   ASP  22           HB1      ASP  22 -13.480   8.455   8.455
  151    H    VAL  23           HN       VAL  23 -10.696  11.427  11.427
  152    HA   VAL  23           HA       VAL  23 -11.317  11.354  11.354
  153    HB   VAL  23           HB       VAL  23  -9.434  12.644  12.644
  154   1HG1  VAL  23          HG13      VAL  23 -11.651  14.079  14.079
  155   2HG1  VAL  23          HG12      VAL  23 -10.531  15.162  15.162
  156   3HG1  VAL  23          HG11      VAL  23  -9.942  14.078  14.078
  157   1HG2  VAL  23          HG23      VAL  23 -10.575  12.994  12.994
  158   2HG2  VAL  23          HG22      VAL  23  -9.259  14.032  14.032
  159   3HG2  VAL  23          HG21      VAL  23 -10.929  14.585  14.585
  160    H    GLN  24           HN       GLN  24 -13.187  12.554  12.554
  161    HA   GLN  24           HA       GLN  24 -14.812  14.366  14.366
  162   1HB   GLN  24           HB2      GLN  24 -15.153  13.049  13.049
  163   2HB   GLN  24           HB1      GLN  24 -16.344  14.153  14.153
  164   1HG   GLN  24           HG1      GLN  24 -13.588  15.163  15.163
  165   2HG   GLN  24           HG2      GLN  24 -14.304  14.888  14.888
  166   1HE2  GLN  24          HE22      GLN  24 -16.113  17.595  17.595
  167   2HE2  GLN  24          HE21      GLN  24 -15.366  16.177  16.177
  168    H    GLU  25           HN       GLU  25 -15.456  11.140  11.140
  169    HA   GLU  25           HA       GLU  25 -17.929  10.852  10.852
  170   1HB   GLU  25           HB1      GLU  25 -18.151   8.818   8.818
  171   2HB   GLU  25           HB2      GLU  25 -17.141   9.734   9.734
  172   1HG   GLU  25           HG1      GLU  25 -16.592   7.239   7.239
  173   2HG   GLU  25           HG2      GLU  25 -15.342   8.414   8.414
  174    H    VAL  26           HN       VAL  26 -14.616   9.957   9.957
  175    HA   VAL  26           HA       VAL  26 -14.955   7.964   7.964
  176    HB   VAL  26           HB       VAL  26 -12.772   9.004   9.004
  177   1HG1  VAL  26          HG12      VAL  26 -13.258  11.258  11.258
  178   2HG1  VAL  26          HG11      VAL  26 -12.942  10.564  10.564
  179   3HG1  VAL  26          HG13      VAL  26 -11.663  10.613  10.613
  180   1HG2  VAL  26          HG21      VAL  26 -13.378   7.453   7.453
  181   2HG2  VAL  26          HG23      VAL  26 -11.977   7.356   7.356
  182   3HG2  VAL  26          HG22      VAL  26 -11.957   8.447   8.447
  183    H    ARG  27           HN       ARG  27 -15.038  11.482  11.482
  184    HA   ARG  27           HA       ARG  27 -15.512  11.265  11.265
  185   1HB   ARG  27           HB2      ARG  27 -16.204  13.686  13.686
  186   2HB   ARG  27           HB1      ARG  27 -15.640  13.604  13.604
  187   1HG   ARG  27           HG1      ARG  27 -13.521  12.531  12.531
  188   2HG   ARG  27           HG2      ARG  27 -14.120  13.602  13.602
  189   1HD   ARG  27           HD2      ARG  27 -12.784  14.236  14.236
  190   2HD   ARG  27           HD1      ARG  27 -12.935  15.190  15.190
  191    HE   ARG  27           HE       ARG  27 -14.533  15.406  15.406
  192   1HH1  ARG  27          HH21      ARG  27 -14.545  15.809  15.809
  193   2HH1  ARG  27          HH22      ARG  27 -15.814  16.988  16.988
  194   1HH2  ARG  27          HH11      ARG  27 -16.205  16.958  16.958
  195   2HH2  ARG  27          HH12      ARG  27 -16.756  17.645  17.645
  196    H    ARG  28           HN       ARG  28 -17.559  11.964  11.964
  197    HA   ARG  28           HA       ARG  28 -19.957  12.445  12.445
  198   1HB   ARG  28           HB2      ARG  28 -19.734  10.903  10.903
  199   2HB   ARG  28           HB1      ARG  28 -21.048  11.948  11.948
  200   1HG   ARG  28           HG1      ARG  28 -18.555  13.390  13.390
  201   2HG   ARG  28           HG2      ARG  28 -18.888  12.628  12.628
  202   1HD   ARG  28           HD2      ARG  28 -20.857  14.335  14.335
  203   2HD   ARG  28           HD1      ARG  28 -19.808  14.933  14.933
  204    HE   ARG  28           HE       ARG  28 -21.181  12.760  12.760
  205   1HH1  ARG  28          HH11      ARG  28 -21.927  15.914  15.914
  206   2HH1  ARG  28          HH12      ARG  28 -23.351  16.110  16.110
  207   1HH2  ARG  28          HH21      ARG  28 -23.054  13.007  13.007
  208   2HH2  ARG  28          HH22      ARG  28 -23.992  14.457  14.457
  209    H    LEU  29           HN       LEU  29 -18.344   9.412   9.412
  210    HA   LEU  29           HA       LEU  29 -20.576   7.757   7.757
  211   1HB   LEU  29           HB2      LEU  29 -17.624   7.142   7.142
  212   2HB   LEU  29           HB1      LEU  29 -18.882   5.941   5.941
  213    HG   LEU  29           HG       LEU  29 -19.013   7.730   7.730
  214   1HD1  LEU  29          HD11      LEU  29 -16.658   6.905   6.905
  215   2HD1  LEU  29          HD13      LEU  29 -17.291   5.263   5.263
  216   3HD1  LEU  29          HD12      LEU  29 -17.513   6.373   6.373
  217   1HD2  LEU  29          HD22      LEU  29 -19.778   4.882   4.882
  218   2HD2  LEU  29          HD21      LEU  29 -20.854   6.253   6.253
  219   3HD2  LEU  29          HD23      LEU  29 -19.888   5.611   5.611
  220    H    LEU  30           HN       LEU  30 -17.449   7.916   7.916
  221    HA   LEU  30           HA       LEU  30 -18.606   7.017   7.017
  222   1HB   LEU  30           HB1      LEU  30 -15.875   8.073   8.073
  223   2HB   LEU  30           HB2      LEU  30 -16.306   7.560   7.560
  224    HG   LEU  30           HG       LEU  30 -16.817   5.615   5.615
  225   1HD1  LEU  30          HD11      LEU  30 -14.653   6.518   6.518
  226   2HD1  LEU  30          HD13      LEU  30 -14.033   6.255   6.255
  227   3HD1  LEU  30          HD12      LEU  30 -14.490   4.878   4.878
  228   1HD2  LEU  30          HD22      LEU  30 -16.282   5.659   5.659
  229   2HD2  LEU  30          HD21      LEU  30 -17.231   4.527   4.527
  230   3HD2  LEU  30          HD23      LEU  30 -15.478   4.356   4.356
  231    H    HIS  31           HN       HIS  31 -17.339  10.149  10.149
  232    HA   HIS  31           HA       HIS  31 -17.821  11.481  11.481
  233   1HB   HIS  31           HB1      HIS  31 -16.604  12.100  12.100
  234   2HB   HIS  31           HB2      HIS  31 -17.851  13.314  13.314
  235    HD2  HIS  31           HD2      HIS  31 -14.311  13.187  13.187
  236    HE1  HIS  31           HE1      HIS  31 -15.773  14.967  14.967
  237    HE2  HIS  31           HE2      HIS  31 -13.755  14.689  14.689
  238    H    ARG  32           HN       ARG  32 -19.929  10.460  10.460
  239    HA   ARG  32           HA       ARG  32 -22.043  12.166  12.166
  240   1HB   ARG  32           HB1      ARG  32 -21.032  12.473  12.473
  241   2HB   ARG  32           HB2      ARG  32 -22.500  11.532  11.532
  242   1HG   ARG  32           HG1      ARG  32 -23.317  13.478  13.478
  243   2HG   ARG  32           HG2      ARG  32 -22.167  14.334  14.334
  244   1HD   ARG  32           HD1      ARG  32 -23.378  13.425  13.425
  245   2HD   ARG  32           HD2      ARG  32 -24.587  12.768  12.768
  246    HE   ARG  32           HE       ARG  32 -24.202  15.553  15.553
  247   1HH1  ARG  32          HH21      ARG  32 -25.728  13.243  13.243
  248   2HH1  ARG  32          HH22      ARG  32 -26.980  14.331  14.331
  249   1HH2  ARG  32          HH11      ARG  32 -25.845  16.995  16.995
  250   2HH2  ARG  32          HH12      ARG  32 -27.046  16.465  16.465
  251    H    GLU  33           HN       GLU  33 -21.998   9.704   9.704
  252    HA   GLU  33           HA       GLU  33 -24.349   8.461   8.461
  253   1HB   GLU  33           HB2      GLU  33 -22.553   7.972   7.972
  254   2HB   GLU  33           HB1      GLU  33 -21.951   6.787   6.787
  255   1HG   GLU  33           HG2      GLU  33 -24.562   6.141   6.141
  256   2HG   GLU  33           HG1      GLU  33 -24.380   6.757   6.757
  257    H    LEU  34           HN       LEU  34 -21.444   8.292   8.292
  258    HA   LEU  34           HA       LEU  34 -21.065   7.446   7.446
  259   1HB   LEU  34           HB1      LEU  34 -23.934   7.492   7.492
  260   2HB   LEU  34           HB2      LEU  34 -23.428   6.051   6.051
  261    HG   LEU  34           HG       LEU  34 -22.240   7.391   7.391
  262   1HD1  LEU  34          HD22      LEU  34 -22.957   9.647   9.647
  263   2HD1  LEU  34          HD21      LEU  34 -22.626   9.926   9.926
  264   3HD1  LEU  34          HD23      LEU  34 -21.385   9.219   9.219
  265   1HD2  LEU  34          HD13      LEU  34 -25.085   8.151   8.151
  266   2HD2  LEU  34          HD12      LEU  34 -24.460   7.026   7.026
  267   3HD2  LEU  34          HD11      LEU  34 -24.228   8.762   8.762
  268    H    VAL  35           HN       VAL  35 -21.236   5.887   5.887
  269    HA   VAL  35           HA       VAL  35 -21.756   3.236   3.236
  270    HB   VAL  35           HB       VAL  35 -20.770   4.519   4.519
  271   1HG1  VAL  35          HG22      VAL  35 -18.625   4.909   4.909
  272   2HG1  VAL  35          HG21      VAL  35 -18.149   3.366   3.366
  273   3HG1  VAL  35          HG23      VAL  35 -18.516   4.741   4.741
  274   1HG2  VAL  35          HG13      VAL  35 -19.946   1.692   1.692
  275   2HG2  VAL  35          HG12      VAL  35 -21.430   2.218   2.218
  276   3HG2  VAL  35          HG11      VAL  35 -19.878   2.419   2.419
  277    H    HIS  36           HN       HIS  36 -20.397   1.377   1.377
  278    HA   HIS  36           HA       HIS  36 -18.715   1.814   1.814
  279   1HB   HIS  36           HB2      HIS  36 -19.001  -0.526  -0.526
  280   2HB   HIS  36           HB1      HIS  36 -20.578   0.135   0.135
  281    HD2  HIS  36           HD2      HIS  36 -19.787  -0.104  -0.104
  282    HE1  HIS  36           HE1      HIS  36 -20.081  -4.205  -4.205
  283    HE2  HIS  36           HE2      HIS  36 -19.897  -2.534  -2.534
  284    HA   PRO  37           HA       PRO  37 -14.975   1.171   1.171
  285   1HB   PRO  37           HB2      PRO  37 -13.346   0.465   0.465
  286   2HB   PRO  37           HB1      PRO  37 -13.898   2.123   2.123
  287   1HG   PRO  37           HG2      PRO  37 -14.941   0.046   0.046
  288   2HG   PRO  37           HG1      PRO  37 -14.649   1.772   1.772
  289   1HD   PRO  37           HD2      PRO  37 -17.118   0.771   0.771
  290   2HD   PRO  37           HD1      PRO  37 -16.627   2.402   2.402
  291    H    ASP  38           HN       ASP  38 -16.381  -1.300  -1.300
  292    HA   ASP  38           HA       ASP  38 -14.631  -3.379  -3.379
  293   1HB   ASP  38           HB1      ASP  38 -17.084  -3.699  -3.699
  294   2HB   ASP  38           HB2      ASP  38 -15.484  -3.334  -3.334
  295    H    ALA  39           HN       ALA  39 -16.136  -2.024  -2.024
  296    HA   ALA  39           HA       ALA  39 -18.403  -3.642  -3.642
  297   1HB   ALA  39           HB3      ALA  39 -16.910  -1.523  -1.523
  298   2HB   ALA  39           HB2      ALA  39 -18.416  -2.282  -2.282
  299   3HB   ALA  39           HB1      ALA  39 -18.381  -1.297  -1.297
  300    H    LEU  40           HN       LEU  40 -18.395  -5.461  -5.461
  301    HA   LEU  40           HA       LEU  40 -15.954  -6.126  -6.126
  302   1HB   LEU  40           HB1      LEU  40 -17.684  -7.874  -7.874
  303   2HB   LEU  40           HB2      LEU  40 -16.628  -8.548  -8.548
  304    HG   LEU  40           HG       LEU  40 -14.782  -7.149  -7.149
  305   1HD1  LEU  40          HD22      LEU  40 -16.920  -7.443  -7.443
  306   2HD1  LEU  40          HD21      LEU  40 -15.227  -7.095  -7.095
  307   3HD1  LEU  40          HD23      LEU  40 -16.188  -5.948  -5.948
  308   1HD2  LEU  40          HD13      LEU  40 -15.560  -9.792  -9.792
  309   2HD2  LEU  40          HD12      LEU  40 -14.052  -9.151  -9.151
  310   3HD2  LEU  40          HD11      LEU  40 -15.437  -9.399  -9.399
  311    H    ASN  41           HN       ASN  41 -16.181  -6.752  -6.752
  312    HA   ASN  41           HA       ASN  41 -18.605  -6.354  -6.354
  313   1HB   ASN  41           HB2      ASN  41 -15.886  -7.249  -7.249
  314   2HB   ASN  41           HB1      ASN  41 -17.140  -7.902  -7.902
  315   1HD2  ASN  41          HD22      ASN  41 -15.796  -4.545  -4.545
  316   2HD2  ASN  41          HD21      ASN  41 -15.002  -5.952  -5.952
  317    H    ARG  42           HN       ARG  42 -18.934  -8.425  -8.425
  318    HA   ARG  42           HA       ARG  42 -20.474 -10.255 -10.255
  319   1HB   ARG  42           HB2      ARG  42 -21.181 -11.172 -11.172
  320   2HB   ARG  42           HB1      ARG  42 -20.941  -9.459  -9.459
  321   1HG   ARG  42           HG2      ARG  42 -19.981 -10.481 -10.481
  322   2HG   ARG  42           HG1      ARG  42 -18.594 -10.160 -10.160
  323   1HD   ARG  42           HD1      ARG  42 -18.172 -12.340 -12.340
  324   2HD   ARG  42           HD2      ARG  42 -19.880 -12.743 -12.743
  325    HE   ARG  42           HE       ARG  42 -19.386 -12.168 -12.168
  326   1HH1  ARG  42          HH21      ARG  42 -18.539 -14.554 -14.554
  327   2HH1  ARG  42          HH22      ARG  42 -18.345 -15.830 -15.830
  328   1HH2  ARG  42          HH11      ARG  42 -19.134 -13.842 -13.842
  329   2HH2  ARG  42          HH12      ARG  42 -18.683 -15.426 -15.426
  330    H    PHE  43           HN       PHE  43 -17.211 -10.127 -10.127
  331    HA   PHE  43           HA       PHE  43 -16.851 -13.032 -13.032
  332   1HB   PHE  43           HB2      PHE  43 -15.479 -11.865 -11.865
  333   2HB   PHE  43           HB1      PHE  43 -14.907 -10.747 -10.747
  334    HD1  PHE  43           HD2      PHE  43 -15.127 -14.467 -14.467
  335    HD2  PHE  43           HD1      PHE  43 -12.703 -11.059 -11.059
  336    HE1  PHE  43           HE2      PHE  43 -13.207 -15.946 -15.946
  337    HE2  PHE  43           HE1      PHE  43 -10.778 -12.530 -12.530
  338    HZ   PHE  43           HZ       PHE  43 -11.026 -14.975 -14.975
  339    H    GLY  44           HN       GLY  44 -15.176 -10.369 -10.369
  340   1HA   GLY  44           HA2      GLY  44 -15.712 -10.631 -10.631
  341   2HA   GLY  44           HA1      GLY  44 -14.836 -12.133 -12.133
  342    H    LYS  45           HN       LYS  45 -14.502  -8.641  -8.641
  343    HA   LYS  45           HA       LYS  45 -11.790  -8.769  -8.769
  344   1HB   LYS  45           HB2      LYS  45 -12.483  -7.628  -7.628
  345   2HB   LYS  45           HB1      LYS  45 -10.950  -7.368  -7.368
  346   1HG   LYS  45           HG1      LYS  45 -10.590  -9.821  -9.821
  347   2HG   LYS  45           HG2      LYS  45 -12.063  -9.994  -9.994
  348   1HD   LYS  45           HD2      LYS  45 -10.725  -9.806  -9.806
  349   2HD   LYS  45           HD1      LYS  45 -10.670  -8.085  -8.085
  350   1HE   LYS  45           HE1      LYS  45  -8.599  -8.257  -8.257
  351   2HE   LYS  45           HE2      LYS  45  -8.762  -9.993  -9.993
  352   1HZ   LYS  45           HZ2      LYS  45  -8.657 -10.187 -10.187
  353   2HZ   LYS  45           HZ1      LYS  45  -8.146  -8.575  -8.575
  354   3HZ   LYS  45           HZ3      LYS  45  -7.220  -9.745  -9.745
  355    H    THR  46           HN       THR  46 -11.057  -6.838  -6.838
  356    HA   THR  46           HA       THR  46 -13.162  -4.988  -4.988
  357    HB   THR  46           HB       THR  46 -11.244  -3.943  -3.943
  358    HG1  THR  46           HG1      THR  46  -9.564  -4.952  -4.952
  359   1HG2  THR  46          HG21      THR  46 -12.603  -6.492  -6.492
  360   2HG2  THR  46          HG23      THR  46 -11.123  -6.274  -6.274
  361   3HG2  THR  46          HG22      THR  46 -12.427  -5.093  -5.093
  362    H    ALA  47           HN       ALA  47 -13.033  -2.708  -2.708
  363    HA   ALA  47           HA       ALA  47 -12.420  -1.816  -1.816
  364   1HB   ALA  47           HB2      ALA  47 -13.916  -0.661  -0.661
  365   2HB   ALA  47           HB1      ALA  47 -12.490  -0.105  -0.105
  366   3HB   ALA  47           HB3      ALA  47 -12.764   0.420   0.420
  367    H    LEU  48           HN       LEU  48 -10.541  -1.223  -1.223
  368    HA   LEU  48           HA       LEU  48  -8.414   0.137   0.137
  369   1HB   LEU  48           HB2      LEU  48  -9.015  -0.616  -0.616
  370   2HB   LEU  48           HB1      LEU  48  -7.793  -1.823  -1.823
  371    HG   LEU  48           HG       LEU  48  -6.127  -0.140  -0.140
  372   1HD1  LEU  48          HD22      LEU  48  -8.433   1.559   1.559
  373   2HD1  LEU  48          HD21      LEU  48  -7.262   2.291   2.291
  374   3HD1  LEU  48          HD23      LEU  48  -6.760   1.780   1.780
  375   1HD2  LEU  48          HD13      LEU  48  -7.176  -0.691  -0.691
  376   2HD2  LEU  48          HD12      LEU  48  -5.789   0.371   0.371
  377   3HD2  LEU  48          HD11      LEU  48  -7.400   1.059   1.059
  378    H    GLN  49           HN       GLN  49  -9.140  -3.272  -3.272
  379    HA   GLN  49           HA       GLN  49  -6.560  -4.139  -4.139
  380   1HB   GLN  49           HB2      GLN  49  -8.026  -5.696  -5.696
  381   2HB   GLN  49           HB1      GLN  49  -9.266  -5.481  -5.481
  382   1HG   GLN  49           HG1      GLN  49  -8.313  -6.941  -6.941
  383   2HG   GLN  49           HG2      GLN  49  -6.685  -6.357  -6.357
  384   1HE2  GLN  49          HE22      GLN  49  -5.897  -9.041  -9.041
  385   2HE2  GLN  49          HE21      GLN  49  -5.403  -7.720  -7.720
  386    H    VAL  50           HN       VAL  50  -9.526  -3.151  -3.151
  387    HA   VAL  50           HA       VAL  50  -8.474  -3.830  -3.830
  388    HB   VAL  50           HB       VAL  50 -10.684  -2.856  -2.856
  389   1HG1  VAL  50          HG12      VAL  50 -10.166  -5.295  -5.295
  390   2HG1  VAL  50          HG11      VAL  50 -10.967  -5.146  -5.146
  391   3HG1  VAL  50          HG13      VAL  50 -11.874  -4.859  -4.859
  392   1HG2  VAL  50          HG22      VAL  50 -11.117  -1.490  -1.490
  393   2HG2  VAL  50          HG21      VAL  50 -12.450  -2.589  -2.589
  394   3HG2  VAL  50          HG23      VAL  50 -11.326  -2.967  -2.967
  395    H    MET  51           HN       MET  51  -8.878  -1.093  -1.093
  396    HA   MET  51           HA       MET  51  -9.024   1.104   1.104
  397   1HB   MET  51           HB1      MET  51  -7.761   0.457   0.457
  398   2HB   MET  51           HB2      MET  51  -6.767   1.613   1.613
  399   1HG   MET  51           HG2      MET  51  -8.772   3.052   3.052
  400   2HG   MET  51           HG1      MET  51  -9.659   1.925   1.925
  401   1HE   MET  51           HE1      MET  51  -6.075   1.971   1.971
  402   2HE   MET  51           HE3      MET  51  -5.998   3.556   3.556
  403   3HE   MET  51           HE2      MET  51  -5.814   3.414   3.414
  404    H    MET  52           HN       MET  52  -7.856   2.214   2.214
  405    HA   MET  52           HA       MET  52  -5.543   0.823   0.823
  406   1HB   MET  52           HB1      MET  52  -6.024   1.829   1.829
  407   2HB   MET  52           HB2      MET  52  -7.630   1.667   1.667
  408   1HG   MET  52           HG2      MET  52  -7.639   3.975   3.975
  409   2HG   MET  52           HG1      MET  52  -5.963   4.166   4.166
  410   1HE   MET  52           HE3      MET  52  -5.629   5.643   5.643
  411   2HE   MET  52           HE2      MET  52  -6.878   6.094   6.094
  412   3HE   MET  52           HE1      MET  52  -7.121   6.403   6.403
  413    H    PHE  53           HN       PHE  53  -5.829   2.870   2.870
  414    HA   PHE  53           HA       PHE  53  -4.637   4.598   4.598
  415   1HB   PHE  53           HB1      PHE  53  -2.539   3.075   3.075
  416   2HB   PHE  53           HB2      PHE  53  -2.139   4.424   4.424
  417    HD1  PHE  53           HD1      PHE  53  -4.403   1.459   1.459
  418    HD2  PHE  53           HD2      PHE  53  -1.244   3.732   3.732
  419    HE1  PHE  53           HE1      PHE  53  -4.372  -0.071  -0.071
  420    HE2  PHE  53           HE2      PHE  53  -1.205   2.207   2.207
  421    HZ   PHE  53           HZ       PHE  53  -2.771   0.303   0.303
  422    H    GLY  54           HN       GLY  54  -5.866   5.014   5.014
  423   1HA   GLY  54           HA1      GLY  54  -4.195   6.630   6.630
  424   2HA   GLY  54           HA2      GLY  54  -5.952   6.668   6.668
  425    H    SER  55           HN       SER  55  -6.716   7.635   7.635
  426    HA   SER  55           HA       SER  55  -5.534  10.314  10.314
  427   1HB   SER  55           HB1      SER  55  -8.227   9.224   9.224
  428   2HB   SER  55           HB2      SER  55  -7.756  10.459  10.459
  429    HG   SER  55           HG       SER  55  -8.187  10.664  10.664
  430    HA   PRO  56           HA       PRO  56  -3.751   9.594   9.594
  431   1HB   PRO  56           HB1      PRO  56  -3.236  12.119  12.119
  432   2HB   PRO  56           HB2      PRO  56  -2.382  11.356  11.356
  433   1HG   PRO  56           HG2      PRO  56  -4.674  13.280  13.280
  434   2HG   PRO  56           HG1      PRO  56  -3.232  13.230  13.230
  435   1HD   PRO  56           HD1      PRO  56  -5.694  12.245  12.245
  436   2HD   PRO  56           HD2      PRO  56  -4.152  11.683  11.683
  437    H    ALA  57           HN       ALA  57  -6.254  12.122  12.122
  438    HA   ALA  57           HA       ALA  57  -6.820  12.187  12.187
  439   1HB   ALA  57           HB3      ALA  57  -7.854  13.384  13.384
  440   2HB   ALA  57           HB2      ALA  57  -9.185  12.844  12.844
  441   3HB   ALA  57           HB1      ALA  57  -7.967  13.945  13.945
  442    H    VAL  58           HN       VAL  58  -7.935  10.081  10.081
  443    HA   VAL  58           HA       VAL  58 -10.187   9.000   9.000
  444    HB   VAL  58           HB       VAL  58 -10.051   7.216   7.216
  445   1HG1  VAL  58          HG21      VAL  58  -9.226   9.894   9.894
  446   2HG1  VAL  58          HG23      VAL  58  -9.552   8.543   8.543
  447   3HG1  VAL  58          HG22      VAL  58 -10.821   9.140   9.140
  448   1HG2  VAL  58          HG11      VAL  58  -7.196   7.758   7.758
  449   2HG2  VAL  58          HG13      VAL  58  -8.045   6.274   6.274
  450   3HG2  VAL  58          HG12      VAL  58  -7.780   7.520   7.520
  451    H    ALA  59           HN       ALA  59  -6.773   8.349   8.349
  452    HA   ALA  59           HA       ALA  59  -6.907   5.843   5.843
  453   1HB   ALA  59           HB3      ALA  59  -4.887   7.920   7.920
  454   2HB   ALA  59           HB2      ALA  59  -4.659   6.980   6.980
  455   3HB   ALA  59           HB1      ALA  59  -4.746   6.164   6.164
  456    H    LEU  60           HN       LEU  60  -6.910   9.141   9.141
  457    HA   LEU  60           HA       LEU  60  -6.829   8.476   8.476
  458   1HB   LEU  60           HB2      LEU  60  -6.536  10.746  10.746
  459   2HB   LEU  60           HB1      LEU  60  -8.265  10.891  10.891
  460    HG   LEU  60           HG       LEU  60  -7.156  12.083  12.083
  461   1HD1  LEU  60          HD22      LEU  60  -9.141  10.410  10.410
  462   2HD1  LEU  60          HD21      LEU  60  -7.928   9.593   9.593
  463   3HD1  LEU  60          HD23      LEU  60  -8.354  11.270  11.270
  464   1HD2  LEU  60          HD12      LEU  60  -5.330   9.856   9.856
  465   2HD2  LEU  60          HD11      LEU  60  -5.109  11.455  11.455
  466   3HD2  LEU  60          HD13      LEU  60  -5.851  10.164  10.164
  467    H    GLU  61           HN       GLU  61  -9.483   8.743   8.743
  468    HA   GLU  61           HA       GLU  61 -11.605   8.756   8.756
  469   1HB   GLU  61           HB1      GLU  61 -11.281   8.541   8.541
  470   2HB   GLU  61           HB2      GLU  61 -12.490   7.392   7.392
  471   1HG   GLU  61           HG1      GLU  61 -12.487  10.362  10.362
  472   2HG   GLU  61           HG2      GLU  61 -13.534   9.475   9.475
  473    H    LEU  62           HN       LEU  62 -10.648   6.011   6.011
  474    HA   LEU  62           HA       LEU  62 -12.040   4.086   4.086
  475   1HB   LEU  62           HB1      LEU  62  -9.704   3.811   3.811
  476   2HB   LEU  62           HB2      LEU  62 -10.580   2.446   2.446
  477    HG   LEU  62           HG       LEU  62 -12.664   3.421   3.421
  478   1HD1  LEU  62          HD21      LEU  62 -10.586   5.250   5.250
  479   2HD1  LEU  62          HD23      LEU  62 -12.066   4.883   4.883
  480   3HD1  LEU  62          HD22      LEU  62 -12.155   5.644   5.644
  481   1HD2  LEU  62          HD12      LEU  62 -10.459   1.989   1.989
  482   2HD2  LEU  62          HD11      LEU  62 -12.195   1.738   1.738
  483   3HD2  LEU  62          HD13      LEU  62 -11.359   2.903   2.903
  484    H    LEU  63           HN       LEU  63  -8.749   5.301   5.301
  485    HA   LEU  63           HA       LEU  63  -7.718   3.331   3.331
  486   1HB   LEU  63           HB2      LEU  63  -6.220   4.815   4.815
  487   2HB   LEU  63           HB1      LEU  63  -6.980   6.222   6.222
  488    HG   LEU  63           HG       LEU  63  -6.019   5.800   5.800
  489   1HD1  LEU  63          HD23      LEU  63  -6.480   3.374   3.374
  490   2HD1  LEU  63          HD22      LEU  63  -5.087   3.123   3.123
  491   3HD1  LEU  63          HD21      LEU  63  -4.860   3.774   3.774
  492   1HD2  LEU  63          HD11      LEU  63  -4.470   6.251   6.251
  493   2HD2  LEU  63          HD13      LEU  63  -3.928   6.379   6.379
  494   3HD2  LEU  63          HD12      LEU  63  -3.647   4.892   4.892
  495    H    LYS  64           HN       LYS  64  -8.708   6.650   6.650
  496    HA   LYS  64           HA       LYS  64  -8.719   6.187   6.187
  497   1HB   LYS  64           HB2      LYS  64  -8.619   8.428   8.428
  498   2HB   LYS  64           HB1      LYS  64 -10.323   8.259   8.259
  499   1HG   LYS  64           HG2      LYS  64 -10.648   7.920   7.920
  500   2HG   LYS  64           HG1      LYS  64  -9.044   8.644   8.644
  501   1HD   LYS  64           HD1      LYS  64 -11.150   9.981   9.981
  502   2HD   LYS  64           HD2      LYS  64 -11.163  10.157  10.157
  503   1HE   LYS  64           HE1      LYS  64  -8.506  10.557  10.557
  504   2HE   LYS  64           HE2      LYS  64  -9.624  11.585  11.585
  505   1HZ   LYS  64           HZ3      LYS  64 -10.318  11.728  11.728
  506   2HZ   LYS  64           HZ2      LYS  64  -8.642  11.933  11.933
  507   3HZ   LYS  64           HZ1      LYS  64  -9.666  12.949  12.949
  508    H    GLN  65           HN       GLN  65 -10.932   5.287   5.287
  509    HA   GLN  65           HA       GLN  65 -13.365   5.328   5.328
  510   1HB   GLN  65           HB1      GLN  65 -12.542   4.556   4.556
  511   2HB   GLN  65           HB2      GLN  65 -13.016   3.028   3.028
  512   1HG   GLN  65           HG1      GLN  65 -14.663   5.392   5.392
  513   2HG   GLN  65           HG2      GLN  65 -14.996   3.674   3.674
  514   1HE2  GLN  65          HE22      GLN  65 -16.822   5.491   5.491
  515   2HE2  GLN  65          HE21      GLN  65 -16.268   6.156   6.156
  516    H    GLY  66           HN       GLY  66 -11.034   2.655   2.655
  517   1HA   GLY  66           HA2      GLY  66 -10.713   1.618   1.618
  518   2HA   GLY  66           HA1      GLY  66 -12.405   1.205   1.205
  519    H    ALA  67           HN       ALA  67 -11.522   1.001   1.001
  520    HA   ALA  67           HA       ALA  67 -11.433  -1.794  -1.794
  521   1HB   ALA  67           HB1      ALA  67 -11.173   0.420   0.420
  522   2HB   ALA  67           HB3      ALA  67 -10.346  -1.063  -1.063
  523   3HB   ALA  67           HB2      ALA  67 -12.074  -1.090  -1.090
  524    H    SER  68           HN       SER  68  -9.835  -2.786  -2.786
  525    HA   SER  68           HA       SER  68  -7.270  -2.073  -2.073
  526   1HB   SER  68           HB2      SER  68  -6.992  -4.784  -4.784
  527   2HB   SER  68           HB1      SER  68  -7.500  -4.066  -4.066
  528    HG   SER  68           HG       SER  68  -9.309  -5.064  -5.064
  529    HA   PRO  69           HA       PRO  69  -5.506  -1.787  -1.787
  530   1HB   PRO  69           HB1      PRO  69  -3.027  -1.034  -1.034
  531   2HB   PRO  69           HB2      PRO  69  -4.405   0.074   0.074
  532   1HG   PRO  69           HG1      PRO  69  -3.194  -1.471  -1.471
  533   2HG   PRO  69           HG2      PRO  69  -3.729   0.220   0.220
  534   1HD   PRO  69           HD1      PRO  69  -5.229  -1.769  -1.769
  535   2HD   PRO  69           HD2      PRO  69  -5.945  -0.346  -0.346
  536    H    ASN  70           HN       ASN  70  -4.381  -3.771  -3.771
  537    HA   ASN  70           HA       ASN  70  -2.416  -5.175  -5.175
  538   1HB   ASN  70           HB2      ASN  70  -3.559  -5.968  -5.968
  539   2HB   ASN  70           HB1      ASN  70  -2.050  -6.523  -6.523
  540   1HD2  ASN  70          HD22      ASN  70  -0.322  -4.119  -4.119
  541   2HD2  ASN  70          HD21      ASN  70  -0.506  -5.766  -5.766
  542    H    VAL  71           HN       VAL  71  -3.663  -5.941  -5.941
  543    HA   VAL  71           HA       VAL  71  -5.233  -8.333  -8.333
  544    HB   VAL  71           HB       VAL  71  -6.809  -7.802  -7.802
  545   1HG1  VAL  71          HG21      VAL  71  -7.191  -7.255  -7.255
  546   2HG1  VAL  71          HG23      VAL  71  -6.839  -5.583  -5.583
  547   3HG1  VAL  71          HG22      VAL  71  -8.205  -6.418  -6.418
  548   1HG2  VAL  71          HG13      VAL  71  -5.107  -6.122  -6.122
  549   2HG2  VAL  71          HG12      VAL  71  -6.834  -5.782  -5.782
  550   3HG2  VAL  71          HG11      VAL  71  -5.860  -4.968  -4.968
  551    H    GLN  72           HN       GLN  72  -4.768 -10.072 -10.072
  552    HA   GLN  72           HA       GLN  72  -3.372  -9.703  -9.703
  553   1HB   GLN  72           HB1      GLN  72  -2.407 -11.664 -11.664
  554   2HB   GLN  72           HB2      GLN  72  -1.643 -11.271 -11.271
  555   1HG   GLN  72           HG2      GLN  72  -0.343  -9.991  -9.991
  556   2HG   GLN  72           HG1      GLN  72  -1.662  -8.839  -8.839
  557   1HE2  GLN  72          HE22      GLN  72  -1.057  -8.796  -8.796
  558   2HE2  GLN  72          HE21      GLN  72  -0.364  -8.224  -8.224
  559    H    ASP  73           HN       ASP  73  -3.388 -11.616 -11.616
  560    HA   ASP  73           HA       ASP  73  -5.522 -13.519 -13.519
  561   1HB   ASP  73           HB1      ASP  73  -5.041 -12.563 -12.563
  562   2HB   ASP  73           HB2      ASP  73  -6.134 -11.716 -11.716
  563    H    ALA  74           HN       ALA  74  -4.267 -15.246 -15.246
  564    HA   ALA  74           HA       ALA  74  -2.903 -17.047 -17.047
  565   1HB   ALA  74           HB1      ALA  74  -3.850 -16.499 -16.499
  566   2HB   ALA  74           HB3      ALA  74  -2.616 -17.731 -17.731
  567   3HB   ALA  74           HB2      ALA  74  -4.187 -17.871 -17.871
  568    H    SER  75           HN       SER  75  -1.932 -15.441 -15.441
  569    HA   SER  75           HA       SER  75   0.718 -15.867 -15.867
  570   1HB   SER  75           HB1      SER  75  -0.370 -13.141 -13.141
  571   2HB   SER  75           HB2      SER  75   1.026 -13.965 -13.965
  572    HG   SER  75           HG       SER  75  -0.786 -14.118 -14.118
  573    H    GLY  76           HN       GLY  76  -0.783 -13.005 -13.005
  574   1HA   GLY  76           HA1      GLY  76  -0.082 -12.440 -12.440
  575   2HA   GLY  76           HA2      GLY  76   1.546 -12.911 -12.911
  576    H    THR  77           HN       THR  77  -0.606 -11.010 -11.010
  577    HA   THR  77           HA       THR  77   1.277  -8.763  -8.763
  578    HB   THR  77           HB       THR  77  -0.684  -8.741  -8.741
  579    HG1  THR  77           HG1      THR  77   0.259 -10.369 -10.369
  580   1HG2  THR  77          HG23      THR  77   1.867  -7.637  -7.637
  581   2HG2  THR  77          HG22      THR  77   1.994  -8.650  -8.650
  582   3HG2  THR  77          HG21      THR  77   0.806  -7.348  -7.348
  583    H    SER  78           HN       SER  78   0.612  -6.885  -6.885
  584    HA   SER  78           HA       SER  78  -2.271  -6.551  -6.551
  585   1HB   SER  78           HB2      SER  78  -0.367  -4.878  -4.878
  586   2HB   SER  78           HB1      SER  78  -1.817  -5.720  -5.720
  587    HG   SER  78           HG       SER  78   0.781  -6.769  -6.769
  588    HA   PRO  79           HA       PRO  79  -2.725  -2.769  -2.769
  589   1HB   PRO  79           HB1      PRO  79  -2.971  -1.246  -1.246
  590   2HB   PRO  79           HB2      PRO  79  -4.066  -1.306  -1.306
  591   1HG   PRO  79           HG1      PRO  79  -4.655  -2.597  -2.597
  592   2HG   PRO  79           HG2      PRO  79  -5.014  -3.315  -3.315
  593   1HD   PRO  79           HD2      PRO  79  -2.814  -3.952  -3.952
  594   2HD   PRO  79           HD1      PRO  79  -3.745  -5.037  -5.037
  595    H    VAL  80           HN       VAL  80  -0.570  -2.596  -2.596
  596    HA   VAL  80           HA       VAL  80   0.794  -0.243  -0.243
  597    HB   VAL  80           HB       VAL  80   2.686  -1.436  -1.436
  598   1HG1  VAL  80          HG22      VAL  80   0.108  -0.252  -0.252
  599   2HG1  VAL  80          HG21      VAL  80   1.200  -0.917  -0.917
  600   3HG1  VAL  80          HG23      VAL  80   1.749   0.377   0.377
  601   1HG2  VAL  80          HG11      VAL  80   1.479  -3.651  -3.651
  602   2HG2  VAL  80          HG13      VAL  80   2.005  -3.195  -3.195
  603   3HG2  VAL  80          HG12      VAL  80   0.314  -3.011  -3.011
  604    H    HIS  81           HN       HIS  81   1.278  -3.621  -3.621
  605    HA   HIS  81           HA       HIS  81   3.815  -3.348  -3.348
  606   1HB   HIS  81           HB2      HIS  81   1.605  -5.344  -5.344
  607   2HB   HIS  81           HB1      HIS  81   3.244  -5.486  -5.486
  608    HD2  HIS  81           HD2      HIS  81   4.309  -7.480  -7.480
  609    HE1  HIS  81           HE1      HIS  81   3.076  -6.123  -6.123
  610    HE2  HIS  81           HE2      HIS  81   4.543  -7.772  -7.772
  611    H    ASP  82           HN       ASP  82   0.548  -3.283  -3.283
  612    HA   ASP  82           HA       ASP  82   1.306  -2.937  -2.937
  613   1HB   ASP  82           HB1      ASP  82  -1.126  -1.528  -1.528
  614   2HB   ASP  82           HB2      ASP  82  -1.119  -2.937  -2.937
  615    H    ALA  83           HN       ALA  83   0.366  -0.488  -0.488
  616    HA   ALA  83           HA       ALA  83   0.614   1.779   1.779
  617   1HB   ALA  83           HB3      ALA  83   0.037   1.320   1.320
  618   2HB   ALA  83           HB2      ALA  83   1.642   2.031   2.031
  619   3HB   ALA  83           HB1      ALA  83   0.359   2.922   2.922
  620    H    ALA  84           HN       ALA  84   3.124  -0.206  -0.206
  621    HA   ALA  84           HA       ALA  84   5.241   1.680   1.680
  622   1HB   ALA  84           HB2      ALA  84   5.251  -0.254  -0.254
  623   2HB   ALA  84           HB1      ALA  84   5.510  -1.309  -1.309
  624   3HB   ALA  84           HB3      ALA  84   6.708  -0.083  -0.083
  625    H    ARG  85           HN       ARG  85   4.699  -1.429  -1.429
  626    HA   ARG  85           HA       ARG  85   6.475  -0.867  -0.867
  627   1HB   ARG  85           HB2      ARG  85   4.177  -2.826  -2.826
  628   2HB   ARG  85           HB1      ARG  85   5.434  -2.818  -2.818
  629   1HG   ARG  85           HG2      ARG  85   7.031  -2.998  -2.998
  630   2HG   ARG  85           HG1      ARG  85   5.583  -3.618  -3.618
  631   1HD   ARG  85           HD2      ARG  85   6.010  -5.607  -5.607
  632   2HD   ARG  85           HD1      ARG  85   5.701  -4.913  -4.913
  633    HE   ARG  85           HE       ARG  85   8.349  -4.353  -4.353
  634   1HH1  ARG  85          HH21      ARG  85   6.328  -6.984  -6.984
  635   2HH1  ARG  85          HH22      ARG  85   7.633  -7.873  -7.873
  636   1HH2  ARG  85          HH11      ARG  85  10.078  -5.518  -5.518
  637   2HH2  ARG  85          HH12      ARG  85   9.765  -7.041  -7.041
  638    H    THR  86           HN       THR  86   3.086  -0.165  -0.165
  639    HA   THR  86           HA       THR  86   2.508   0.382   0.382
  640    HB   THR  86           HB       THR  86   0.423   1.360   1.360
  641    HG1  THR  86           HG1      THR  86   1.890   1.616   1.616
  642   1HG2  THR  86          HG23      THR  86   1.315  -1.276  -1.276
  643   2HG2  THR  86          HG22      THR  86  -0.224  -0.616  -0.616
  644   3HG2  THR  86          HG21      THR  86   0.053  -0.885  -0.885
  645    H    GLY  87           HN       GLY  87   4.531   1.964   1.964
  646   1HA   GLY  87           HA1      GLY  87   5.398   4.092   4.092
  647   2HA   GLY  87           HA2      GLY  87   4.921   4.180   4.180
  648    H    PHE  88           HN       PHE  88   3.822   4.710   4.710
  649    HA   PHE  88           HA       PHE  88   2.295   7.009   7.009
  650   1HB   PHE  88           HB2      PHE  88   1.028   4.457   4.457
  651   2HB   PHE  88           HB1      PHE  88   0.389   5.873   5.873
  652    HD1  PHE  88           HD1      PHE  88   0.466   7.959   7.959
  653    HD2  PHE  88           HD2      PHE  88  -0.493   3.829   3.829
  654    HE1  PHE  88           HE1      PHE  88  -0.910   8.495   8.495
  655    HE2  PHE  88           HE2      PHE  88  -1.868   4.355   4.355
  656    HZ   PHE  88           HZ       PHE  88  -2.084   6.703   6.703
  657    H    LEU  89           HN       LEU  89   4.395   7.412   7.412
  658    HA   LEU  89           HA       LEU  89   4.532   6.992   6.992
  659   1HB   LEU  89           HB1      LEU  89   6.344   7.977   7.977
  660   2HB   LEU  89           HB2      LEU  89   5.404   9.439   9.439
  661    HG   LEU  89           HG       LEU  89   7.239   9.503   9.503
  662   1HD1  LEU  89          HD11      LEU  89   4.625  10.623  10.623
  663   2HD1  LEU  89          HD13      LEU  89   5.079  10.325  10.325
  664   3HD1  LEU  89          HD12      LEU  89   6.113  11.315  11.315
  665   1HD2  LEU  89          HD23      LEU  89   6.645   7.257   7.257
  666   2HD2  LEU  89          HD22      LEU  89   6.809   8.542   8.542
  667   3HD2  LEU  89          HD21      LEU  89   5.206   8.003   8.003
  668    H    ASP  90           HN       ASP  90   2.317   8.955   8.955
  669    HA   ASP  90           HA       ASP  90   1.715  10.956  10.956
  670   1HB   ASP  90           HB1      ASP  90  -0.234  11.329  11.329
  671   2HB   ASP  90           HB2      ASP  90  -0.457   9.619   9.619
  672    H    THR  91           HN       THR  91  -0.109   7.908   7.908
  673    HA   THR  91           HA       THR  91  -1.485   8.257   8.257
  674    HB   THR  91           HB       THR  91  -1.326   5.565   5.565
  675    HG1  THR  91           HG1      THR  91  -2.343   7.856   7.856
  676   1HG2  THR  91          HG22      THR  91  -3.536   7.284   7.284
  677   2HG2  THR  91          HG21      THR  91  -3.829   5.788   5.788
  678   3HG2  THR  91          HG23      THR  91  -2.932   5.751   5.751
  679    H    LEU  92           HN       LEU  92   1.621   7.255   7.255
  680    HA   LEU  92           HA       LEU  92   1.940   5.198   5.198
  681   1HB   LEU  92           HB2      LEU  92   3.631   6.700   6.700
  682   2HB   LEU  92           HB1      LEU  92   4.445   6.214   6.214
  683    HG   LEU  92           HG       LEU  92   3.922   3.879   3.879
  684   1HD1  LEU  92          HD22      LEU  92   2.232   5.073   5.073
  685   2HD1  LEU  92          HD21      LEU  92   2.971   3.499   3.499
  686   3HD1  LEU  92          HD23      LEU  92   1.898   3.727   3.727
  687   1HD2  LEU  92          HD13      LEU  92   5.457   5.550   5.550
  688   2HD2  LEU  92          HD12      LEU  92   5.884   4.021   4.021
  689   3HD2  LEU  92          HD11      LEU  92   4.945   4.025   4.025
  690    H    LYS  93           HN       LYS  93   3.307   8.499   8.499
  691    HA   LYS  93           HA       LYS  93   4.103   8.513   8.513
  692   1HB   LYS  93           HB1      LYS  93   4.825  10.612  10.612
  693   2HB   LYS  93           HB2      LYS  93   4.402  10.245  10.245
  694   1HG   LYS  93           HG1      LYS  93   2.421  11.501  11.501
  695   2HG   LYS  93           HG2      LYS  93   3.613  12.462  12.462
  696   1HD   LYS  93           HD2      LYS  93   1.790  10.518  10.518
  697   2HD   LYS  93           HD1      LYS  93   1.329  12.196  12.196
  698   1HE   LYS  93           HE2      LYS  93   3.982  11.961  11.961
  699   2HE   LYS  93           HE1      LYS  93   2.738  11.239  11.239
  700   1HZ   LYS  93           HZ2      LYS  93   2.053  13.823  13.823
  701   2HZ   LYS  93           HZ1      LYS  93   3.356  13.846  13.846
  702   3HZ   LYS  93           HZ3      LYS  93   1.859  13.228  13.228
  703    H    VAL  94           HN       VAL  94   1.033   8.873   8.873
  704    HA   VAL  94           HA       VAL  94  -0.261  10.134  10.134
  705    HB   VAL  94           HB       VAL  94  -1.302   8.790   8.790
  706   1HG1  VAL  94          HG21      VAL  94  -2.776   9.668   9.668
  707   2HG1  VAL  94          HG23      VAL  94  -3.515   9.922   9.922
  708   3HG1  VAL  94          HG22      VAL  94  -3.073   8.294   8.294
  709   1HG2  VAL  94          HG12      VAL  94  -0.232  11.109  11.109
  710   2HG2  VAL  94          HG11      VAL  94  -1.831  10.951  10.951
  711   3HG2  VAL  94          HG13      VAL  94  -1.664  11.639  11.639
  712    H    LEU  95           HN       LEU  95  -1.309   7.117   7.117
  713    HA   LEU  95           HA       LEU  95  -2.137   6.062   6.062
  714   1HB   LEU  95           HB1      LEU  95  -3.363   4.592   4.592
  715   2HB   LEU  95           HB2      LEU  95  -3.062   5.738   5.738
  716    HG   LEU  95           HG       LEU  95  -0.985   4.197   4.197
  717   1HD1  LEU  95          HD23      LEU  95  -2.146   2.818   2.818
  718   2HD1  LEU  95          HD22      LEU  95  -2.556   1.888   1.888
  719   3HD1  LEU  95          HD21      LEU  95  -0.870   2.247   2.247
  720   1HD2  LEU  95          HD12      LEU  95  -3.683   4.312   4.312
  721   2HD2  LEU  95          HD11      LEU  95  -2.206   3.945   3.945
  722   3HD2  LEU  95          HD13      LEU  95  -3.096   2.651   2.651
  723    H    VAL  96           HN       VAL  96   0.436   5.163   5.163
  724    HA   VAL  96           HA       VAL  96   1.278   2.886   2.886
  725    HB   VAL  96           HB       VAL  96   2.800   4.556   4.556
  726   1HG1  VAL  96          HG13      VAL  96   3.460   1.955   1.955
  727   2HG1  VAL  96          HG12      VAL  96   4.147   2.399   2.399
  728   3HG1  VAL  96          HG11      VAL  96   4.453   3.405   3.405
  729   1HG2  VAL  96          HG23      VAL  96   0.590   3.085   3.085
  730   2HG2  VAL  96          HG22      VAL  96   1.882   3.311   3.311
  731   3HG2  VAL  96          HG21      VAL  96   1.835   1.851   1.851
  732    H    GLU  97           HN       GLU  97   1.472   6.049   6.049
  733    HA   GLU  97           HA       GLU  97   4.106   6.100   6.100
  734   1HB   GLU  97           HB2      GLU  97   3.638   8.269   8.269
  735   2HB   GLU  97           HB1      GLU  97   2.076   7.941   7.941
  736   1HG   GLU  97           HG1      GLU  97   2.770   8.527   8.527
  737   2HG   GLU  97           HG2      GLU  97   1.311   8.908   8.908
  738    H    HIS  98           HN       HIS  98   0.884   5.421   5.421
  739    HA   HIS  98           HA       HIS  98   1.672   5.104   5.104
  740   1HB   HIS  98           HB1      HIS  98  -0.695   4.116   4.116
  741   2HB   HIS  98           HB2      HIS  98  -0.493   3.727   3.727
  742    HD2  HIS  98           HD2      HIS  98  -1.154   5.697   5.697
  743    HE1  HIS  98           HE1      HIS  98  -2.043   8.632   8.632
  744    HE2  HIS  98           HE2      HIS  98  -2.274   7.988   7.988
  745    H    GLY  99           HN       GLY  99   1.501   2.853   2.853
  746   1HA   GLY  99           HA2      GLY  99   3.467   1.164   1.164
  747   2HA   GLY  99           HA1      GLY  99   2.353   0.649   0.649
  748    H    ALA 100           HN       ALA 100  -0.068   0.724   0.724
  749    HA   ALA 100           HA       ALA 100  -1.364  -0.839  -0.839
  750   1HB   ALA 100           HB3      ALA 100   0.126   0.760   0.760
  751   2HB   ALA 100           HB2      ALA 100  -0.944  -0.535  -0.535
  752   3HB   ALA 100           HB1      ALA 100  -1.585   0.795   0.795
  753    H    ASP 101           HN       ASP 101   1.132  -1.964  -1.964
  754    HA   ASP 101           HA       ASP 101   2.174  -3.990  -3.990
  755   1HB   ASP 101           HB1      ASP 101   0.615  -4.607  -4.607
  756   2HB   ASP 101           HB2      ASP 101  -0.089  -4.745  -4.745
  757    H    VAL 102           HN       VAL 102   3.683  -2.033  -2.033
  758    HA   VAL 102           HA       VAL 102   4.638  -2.349  -2.349
  759    HB   VAL 102           HB       VAL 102   6.478  -0.783  -0.783
  760   1HG1  VAL 102          HG11      VAL 102   3.719  -0.306  -0.306
  761   2HG1  VAL 102          HG13      VAL 102   4.296   0.904   0.904
  762   3HG1  VAL 102          HG12      VAL 102   5.126   0.682   0.682
  763   1HG2  VAL 102          HG23      VAL 102   5.726  -1.530  -1.530
  764   2HG2  VAL 102          HG22      VAL 102   6.565  -0.021  -0.021
  765   3HG2  VAL 102          HG21      VAL 102   4.812  -0.032  -0.032
  766    H    ASN 103           HN       ASN 103   4.965  -4.274  -4.274
  767    HA   ASN 103           HA       ASN 103   7.728  -5.036  -5.036
  768   1HB   ASN 103           HB2      ASN 103   6.283  -5.617  -5.617
  769   2HB   ASN 103           HB1      ASN 103   7.984  -5.908  -5.908
  770   1HD2  ASN 103          HD22      ASN 103   8.761  -2.367  -2.367
  771   2HD2  ASN 103          HD21      ASN 103   8.990  -3.739  -3.739
  772    H    ALA 104           HN       ALA 104   5.580  -5.908  -5.908
  773    HA   ALA 104           HA       ALA 104   5.519  -8.775  -8.775
  774   1HB   ALA 104           HB2      ALA 104   3.314  -7.308  -7.308
  775   2HB   ALA 104           HB1      ALA 104   3.313  -7.636  -7.636
  776   3HB   ALA 104           HB3      ALA 104   3.300  -8.973  -8.973
  777    H    LEU 105           HN       LEU 105   5.088 -10.162 -10.162
  778    HA   LEU 105           HA       LEU 105   5.876  -9.052  -9.052
  779   1HB   LEU 105           HB2      LEU 105   7.587 -11.292 -11.292
  780   2HB   LEU 105           HB1      LEU 105   8.021  -9.627  -9.627
  781    HG   LEU 105           HG       LEU 105   7.406 -10.390 -10.390
  782   1HD1  LEU 105          HD11      LEU 105   9.105 -11.997 -11.997
  783   2HD1  LEU 105          HD13      LEU 105  10.211 -10.699 -10.699
  784   3HD1  LEU 105          HD12      LEU 105   9.301 -11.556 -11.556
  785   1HD2  LEU 105          HD21      LEU 105   8.389  -8.132  -8.132
  786   2HD2  LEU 105          HD23      LEU 105   8.206  -8.358  -8.358
  787   3HD2  LEU 105          HD22      LEU 105   9.728  -8.776  -8.776
  788    H    ASP 106           HN       ASP 106   5.762 -10.659 -10.659
  789    HA   ASP 106           HA       ASP 106   3.573 -12.477 -12.477
  790   1HB   ASP 106           HB1      ASP 106   3.888 -12.868 -12.868
  791   2HB   ASP 106           HB2      ASP 106   3.318 -11.289 -11.289
  792    H    SER 107           HN       SER 107   4.762 -13.942 -13.942
  793    HA   SER 107           HA       SER 107   5.531 -16.106 -16.106
  794   1HB   SER 107           HB2      SER 107   5.822 -17.437 -17.437
  795   2HB   SER 107           HB1      SER 107   5.049 -16.087 -16.087
  796    HG   SER 107           HG       SER 107   6.819 -15.864 -15.864
  797    H    THR 108           HN       THR 108   7.672 -14.151 -14.151
  798    HA   THR 108           HA       THR 108   9.615 -13.755 -13.755
  799    HB   THR 108           HB       THR 108  11.300 -15.224 -15.224
  800    HG1  THR 108           HG1      THR 108   9.239 -17.031 -17.031
  801   1HG2  THR 108          HG23      THR 108  10.039 -15.686 -15.686
  802   2HG2  THR 108          HG22      THR 108  10.851 -17.052 -17.052
  803   3HG2  THR 108          HG21      THR 108  11.742 -15.565 -15.565
  804    H    GLY 109           HN       GLY 109   8.199 -12.333 -12.333
  805   1HA   GLY 109           HA1      GLY 109  10.063 -11.730 -11.730
  806   2HA   GLY 109           HA2      GLY 109   8.561 -10.882 -10.882
  807    H    SER 110           HN       SER 110  10.070 -10.940 -10.940
  808    HA   SER 110           HA       SER 110  11.567  -9.579  -9.579
  809   1HB   SER 110           HB1      SER 110  12.656  -9.429  -9.429
  810   2HB   SER 110           HB2      SER 110  12.015  -7.789  -7.789
  811    HG   SER 110           HG       SER 110  13.349  -8.649  -8.649
  812    H    LEU 111           HN       LEU 111  11.534  -7.388  -7.388
  813    HA   LEU 111           HA       LEU 111   9.051  -6.417  -6.417
  814   1HB   LEU 111           HB2      LEU 111  11.767  -5.471  -5.471
  815   2HB   LEU 111           HB1      LEU 111  10.677  -4.136  -4.136
  816    HG   LEU 111           HG       LEU 111   9.477  -4.480  -4.480
  817   1HD1  LEU 111          HD23      LEU 111  10.315  -7.265  -7.265
  818   2HD1  LEU 111          HD22      LEU 111  10.270  -6.720  -6.720
  819   3HD1  LEU 111          HD21      LEU 111   8.825  -6.604  -6.604
  820   1HD2  LEU 111          HD13      LEU 111  12.387  -4.683  -4.683
  821   2HD2  LEU 111          HD12      LEU 111  11.265  -3.594  -3.594
  822   3HD2  LEU 111          HD11      LEU 111  11.526  -5.222  -5.222
  823    HA   PRO 112           HA       PRO 112   7.242  -4.253  -4.253
  824   1HB   PRO 112           HB1      PRO 112   7.119  -1.831  -1.831
  825   2HB   PRO 112           HB2      PRO 112   5.827  -2.651  -2.651
  826   1HG   PRO 112           HG1      PRO 112   6.047  -2.905  -2.905
  827   2HG   PRO 112           HG2      PRO 112   5.575  -4.283  -4.283
  828   1HD   PRO 112           HD2      PRO 112   8.199  -3.689  -3.689
  829   2HD   PRO 112           HD1      PRO 112   7.388  -5.249  -5.249
  830    H    ILE 113           HN       ILE 113   9.667  -2.394  -2.394
  831    HA   ILE 113           HA       ILE 113  10.253  -0.483  -0.483
  832    HB   ILE 113           HB       ILE 113  11.098  -0.240  -0.240
  833   1HG1  ILE 113          HG12      ILE 113  13.036  -0.356  -0.356
  834   2HG1  ILE 113          HG11      ILE 113  12.436   1.040   1.040
  835   1HG2  ILE 113          HG23      ILE 113  12.789  -2.664  -2.664
  836   2HG2  ILE 113          HG22      ILE 113  12.933  -1.654  -1.654
  837   3HG2  ILE 113          HG21      ILE 113  11.455  -2.570  -2.570
  838   1HD1  ILE 113          HD11      ILE 113  13.812  -0.026  -0.026
  839   2HD1  ILE 113          HD13      ILE 113  14.685  -0.788  -0.788
  840   3HD1  ILE 113          HD12      ILE 113  14.588   0.971   0.971
  841    H    HIS 114           HN       HIS 114  11.561  -3.729  -3.729
  842    HA   HIS 114           HA       HIS 114  13.639  -3.712  -3.712
  843   1HB   HIS 114           HB2      HIS 114  11.751  -5.961  -5.961
  844   2HB   HIS 114           HB1      HIS 114  13.239  -6.178  -6.178
  845    HD2  HIS 114           HD2      HIS 114  15.614  -5.437  -5.437
  846    HE1  HIS 114           HE1      HIS 114  13.661  -6.200  -6.200
  847    HE2  HIS 114           HE2      HIS 114  15.873  -5.635  -5.635
  848    H    LEU 115           HN       LEU 115  10.195  -3.937  -3.937
  849    HA   LEU 115           HA       LEU 115  10.382  -4.736  -4.736
  850   1HB   LEU 115           HB2      LEU 115   8.041  -3.281  -3.281
  851   2HB   LEU 115           HB1      LEU 115   8.046  -4.469  -4.469
  852    HG   LEU 115           HG       LEU 115   8.557  -5.025  -5.025
  853   1HD1  LEU 115          HD12      LEU 115   6.155  -4.819  -4.819
  854   2HD1  LEU 115          HD11      LEU 115   6.381  -6.488  -6.488
  855   3HD1  LEU 115          HD13      LEU 115   6.354  -5.187  -5.187
  856   1HD2  LEU 115          HD23      LEU 115   9.802  -6.433  -6.433
  857   2HD2  LEU 115          HD22      LEU 115   8.841  -7.281  -7.281
  858   3HD2  LEU 115          HD21      LEU 115   8.214  -7.074  -7.074
  859    H    ALA 116           HN       ALA 116   9.587  -1.637  -1.637
  860    HA   ALA 116           HA       ALA 116   9.389  -0.076  -0.076
  861   1HB   ALA 116           HB3      ALA 116   8.986   0.483   0.483
  862   2HB   ALA 116           HB2      ALA 116  10.648   1.070   1.070
  863   3HB   ALA 116           HB1      ALA 116   9.420   1.759   1.759
  864    H    ILE 117           HN       ILE 117  12.199  -1.217  -1.217
  865    HA   ILE 117           HA       ILE 117  14.150   0.446   0.446
  866    HB   ILE 117           HB       ILE 117  14.325  -2.359  -2.359
  867   1HG1  ILE 117          HG11      ILE 117  15.323   0.274   0.274
  868   2HG1  ILE 117          HG12      ILE 117  13.802  -0.484  -0.484
  869   1HG2  ILE 117          HG22      ILE 117  16.216  -0.993  -0.993
  870   2HG2  ILE 117          HG21      ILE 117  16.874  -1.154  -1.154
  871   3HG2  ILE 117          HG23      ILE 117  16.340  -2.586  -2.586
  872   1HD1  ILE 117          HD13      ILE 117  16.466  -1.828  -1.828
  873   2HD1  ILE 117          HD12      ILE 117  15.718  -0.830  -0.830
  874   3HD1  ILE 117          HD11      ILE 117  14.914  -2.300  -2.300
  875    H    ARG 118           HN       ARG 118  12.756  -2.627  -2.627
  876    HA   ARG 118           HA       ARG 118  14.484  -3.046  -3.046
  877   1HB   ARG 118           HB1      ARG 118  11.664  -3.974  -3.974
  878   2HB   ARG 118           HB2      ARG 118  13.154  -4.840  -4.840
  879   1HG   ARG 118           HG2      ARG 118  13.360  -4.476  -4.476
  880   2HG   ARG 118           HG1      ARG 118  11.615  -4.649  -4.649
  881   1HD   ARG 118           HD2      ARG 118  11.947  -6.850  -6.850
  882   2HD   ARG 118           HD1      ARG 118  12.678  -6.629  -6.629
  883    HE   ARG 118           HE       ARG 118  14.718  -6.151  -6.151
  884   1HH1  ARG 118          HH21      ARG 118  12.484  -8.781  -8.781
  885   2HH1  ARG 118          HH22      ARG 118  13.588  -9.991  -9.991
  886   1HH2  ARG 118          HH11      ARG 118  16.179  -7.737  -7.737
  887   2HH2  ARG 118          HH12      ARG 118  15.689  -9.398  -9.398
  888    H    GLU 119           HN       GLU 119  11.856  -0.897  -0.897
  889    HA   GLU 119           HA       GLU 119  11.496  -0.429  -0.429
  890   1HB   GLU 119           HB1      GLU 119  10.085   1.049   1.049
  891   2HB   GLU 119           HB2      GLU 119   9.557   0.792   0.792
  892   1HG   GLU 119           HG2      GLU 119   8.237  -0.739  -0.739
  893   2HG   GLU 119           HG1      GLU 119   9.669  -1.749  -1.749
  894    H    GLY 120           HN       GLY 120  12.283   1.441   1.441
  895   1HA   GLY 120           HA1      GLY 120  13.962   3.071   3.071
  896   2HA   GLY 120           HA2      GLY 120  14.106   3.076   3.076
  897    H    HIS 121           HN       HIS 121  10.955   3.318   3.318
  898    HA   HIS 121           HA       HIS 121  10.150   5.560   5.560
  899   1HB   HIS 121           HB2      HIS 121   9.302   4.664   4.664
  900   2HB   HIS 121           HB1      HIS 121   8.436   5.847   5.847
  901    HD2  HIS 121           HD2      HIS 121   8.609   2.100   2.100
  902    HE1  HIS 121           HE1      HIS 121   6.413   2.754   2.754
  903    HE2  HIS 121           HE2      HIS 121   6.943   1.095   1.095
  904    H    SER 122           HN       SER 122  12.218   5.376   5.376
  905    HA   SER 122           HA       SER 122  13.627   7.006   7.006
  906   1HB   SER 122           HB1      SER 122  13.883   8.948   8.948
  907   2HB   SER 122           HB2      SER 122  12.733   8.252   8.252
  908    HG   SER 122           HG       SER 122  11.658  10.006  10.006
  909    H    SER 123           HN       SER 123  10.312   8.321   8.321
  910    HA   SER 123           HA       SER 123  10.407   9.363   9.363
  911   1HB   SER 123           HB2      SER 123   8.848   9.874   9.874
  912   2HB   SER 123           HB1      SER 123   7.742   8.935   8.935
  913    HG   SER 123           HG       SER 123   8.825  10.581  10.581
  914    H    VAL 124           HN       VAL 124   8.936   6.511   6.511
  915    HA   VAL 124           HA       VAL 124   7.593   5.604   5.604
  916    HB   VAL 124           HB       VAL 124   8.485   4.157   4.157
  917   1HG1  VAL 124          HG13      VAL 124   8.389   2.618   2.618
  918   2HG1  VAL 124          HG12      VAL 124   6.696   3.065   3.065
  919   3HG1  VAL 124          HG11      VAL 124   7.211   2.246   2.246
  920   1HG2  VAL 124          HG21      VAL 124   6.048   5.576   5.576
  921   2HG2  VAL 124          HG23      VAL 124   6.738   5.388   5.388
  922   3HG2  VAL 124          HG22      VAL 124   5.804   4.075   4.075
  923    H    VAL 125           HN       VAL 125  10.542   4.305   4.305
  924    HA   VAL 125           HA       VAL 125  11.256   2.512   2.512
  925    HB   VAL 125           HB       VAL 125  13.363   4.084   4.084
  926   1HG1  VAL 125          HG11      VAL 125  13.067   1.321   1.321
  927   2HG1  VAL 125          HG13      VAL 125  14.212   1.635   1.635
  928   3HG1  VAL 125          HG12      VAL 125  14.371   2.486   2.486
  929   1HG2  VAL 125          HG23      VAL 125  11.193   2.522   2.522
  930   2HG2  VAL 125          HG22      VAL 125  12.278   3.701   3.701
  931   3HG2  VAL 125          HG21      VAL 125  12.806   2.033   2.033
  932    H    SER 126           HN       SER 126  12.537   5.828   5.828
  933    HA   SER 126           HA       SER 126  14.071   5.914   5.914
  934   1HB   SER 126           HB1      SER 126  13.869   8.358   8.358
  935   2HB   SER 126           HB2      SER 126  14.110   7.670   7.670
  936    HG   SER 126           HG       SER 126  12.203   9.273   9.273
  937    H    PHE 127           HN       PHE 127  10.633   6.440   6.440
  938    HA   PHE 127           HA       PHE 127  10.198   7.350   7.350
  939   1HB   PHE 127           HB2      PHE 127   8.547   7.965   7.965
  940   2HB   PHE 127           HB1      PHE 127   8.354   6.305   6.305
  941    HD1  PHE 127           HD2      PHE 127   7.886   8.461   8.461
  942    HD2  PHE 127           HD1      PHE 127   6.666   4.975   4.975
  943    HE1  PHE 127           HE2      PHE 127   6.017   8.156   8.156
  944    HE2  PHE 127           HE1      PHE 127   4.793   4.665   4.665
  945    HZ   PHE 127           HZ       PHE 127   4.490   6.241   6.241
  946    H    LEU 128           HN       LEU 128   9.471   4.262   4.262
  947    HA   LEU 128           HA       LEU 128   8.654   2.900   2.900
  948   1HB   LEU 128           HB2      LEU 128   9.145   2.280   2.280
  949   2HB   LEU 128           HB1      LEU 128   9.792   1.011   1.011
  950    HG   LEU 128           HG       LEU 128   6.965   2.010   2.010
  951   1HD1  LEU 128          HD21      LEU 128   8.042   0.640   0.640
  952   2HD1  LEU 128          HD23      LEU 128   7.122  -0.538  -0.538
  953   3HD1  LEU 128          HD22      LEU 128   6.345   0.941   0.941
  954   1HD2  LEU 128          HD13      LEU 128   7.895   0.779   0.779
  955   2HD2  LEU 128          HD12      LEU 128   6.621  -0.138  -0.138
  956   3HD2  LEU 128          HD11      LEU 128   8.312  -0.558  -0.558
  957    H    ALA 129           HN       ALA 129  11.749   3.813   3.813
  958    HA   ALA 129           HA       ALA 129  13.420   1.839   1.839
  959   1HB   ALA 129           HB1      ALA 129  13.678   4.667   4.667
  960   2HB   ALA 129           HB3      ALA 129  14.823   4.125   4.125
  961   3HB   ALA 129           HB2      ALA 129  14.760   3.316   3.316
  962    HA   PRO 130           HA       PRO 130  13.701   3.913   3.913
  963   1HB   PRO 130           HB2      PRO 130  12.247   6.158   6.158
  964   2HB   PRO 130           HB1      PRO 130  13.878   6.195   6.195
  965   1HG   PRO 130           HG2      PRO 130  11.240   6.397   6.397
  966   2HG   PRO 130           HG1      PRO 130  12.718   7.342   7.342
  967   1HD   PRO 130           HD1      PRO 130  12.013   5.282   5.282
  968   2HD   PRO 130           HD2      PRO 130  13.708   5.684   5.684
  969    H    GLU 131           HN       GLU 131  10.614   3.937   3.937
  970    HA   GLU 131           HA       GLU 131   9.145   3.361   3.361
  971   1HB   GLU 131           HB2      GLU 131   8.459   4.148   4.148
  972   2HB   GLU 131           HB1      GLU 131   7.323   3.049   3.049
  973   1HG   GLU 131           HG1      GLU 131   8.083   5.201   5.201
  974   2HG   GLU 131           HG2      GLU 131   7.410   5.802   5.802
  975    H    SER 132           HN       SER 132  11.120   1.459   1.459
  976    HA   SER 132           HA       SER 132   9.594  -0.922  -0.922
  977   1HB   SER 132           HB2      SER 132   9.882  -0.061  -0.061
  978   2HB   SER 132           HB1      SER 132  11.175  -1.245  -1.245
  979    HG   SER 132           HG       SER 132   8.437  -1.673  -1.673
  980    H    ASP 133           HN       ASP 133  10.788  -2.488  -2.488
  981    HA   ASP 133           HA       ASP 133  13.105  -2.135  -2.135
  982   1HB   ASP 133           HB1      ASP 133  13.473  -4.733  -4.733
  983   2HB   ASP 133           HB2      ASP 133  11.757  -4.509  -4.509
  984    H    LEU 134           HN       LEU 134  14.713  -0.954  -0.954
  985    HA   LEU 134           HA       LEU 134  15.716  -1.475  -1.475
  986   1HB   LEU 134           HB2      LEU 134  16.653   0.208   0.208
  987   2HB   LEU 134           HB1      LEU 134  17.584   0.062   0.062
  988    HG   LEU 134           HG       LEU 134  15.111   0.732   0.732
  989   1HD1  LEU 134          HD22      LEU 134  14.781   1.169   1.169
  990   2HD1  LEU 134          HD21      LEU 134  15.389   2.741   2.741
  991   3HD1  LEU 134          HD23      LEU 134  13.941   2.065   2.065
  992   1HD2  LEU 134          HD11      LEU 134  17.675   2.075   2.075
  993   2HD2  LEU 134          HD13      LEU 134  16.698   1.963   1.963
  994   3HD2  LEU 134          HD12      LEU 134  16.301   3.158   3.158
  995    H    HIS 135           HN       HIS 135  15.828  -3.904  -3.904
  996    HA   HIS 135           HA       HIS 135  18.654  -4.470  -4.470
  997   1HB   HIS 135           HB2      HIS 135  17.124  -4.395  -4.395
  998   2HB   HIS 135           HB1      HIS 135  17.587  -6.063  -6.063
  999    HD2  HIS 135           HD2      HIS 135  18.903  -3.744  -3.744
 1000    HE1  HIS 135           HE1      HIS 135  22.377  -4.873  -4.873
 1001    HE2  HIS 135           HE2      HIS 135  21.491  -3.914  -3.914
 1002    H    HIS 136           HN       HIS 136  15.342  -5.692  -5.692
 1003    HA   HIS 136           HA       HIS 136  15.837  -8.368  -8.368
 1004   1HB   HIS 136           HB2      HIS 136  13.596  -6.893  -6.893
 1005   2HB   HIS 136           HB1      HIS 136  13.462  -7.188  -7.188
 1006    HD2  HIS 136           HD2      HIS 136  11.326  -8.924  -8.924
 1007    HE1  HIS 136           HE1      HIS 136  13.638 -11.868 -11.868
 1008    HE2  HIS 136           HE2      HIS 136  11.347 -11.294 -11.294
 1009    H    ARG 137           HN       ARG 137  16.055  -9.540  -9.540
 1010    HA   ARG 137           HA       ARG 137  16.428  -7.990  -7.990
 1011   1HB   ARG 137           HB2      ARG 137  18.088 -10.049 -10.049
 1012   2HB   ARG 137           HB1      ARG 137  18.609  -8.548  -8.548
 1013   1HG   ARG 137           HG1      ARG 137  18.311  -9.554  -9.554
 1014   2HG   ARG 137           HG2      ARG 137  17.800 -11.063 -11.063
 1015   1HD   ARG 137           HD2      ARG 137  19.949 -11.655 -11.655
 1016   2HD   ARG 137           HD1      ARG 137  20.188 -10.504 -10.504
 1017    HE   ARG 137           HE       ARG 137  21.240  -9.083  -9.083
 1018   1HH1  ARG 137          HH11      ARG 137  19.648 -11.623 -11.623
 1019   2HH1  ARG 137          HH12      ARG 137  20.394 -11.212 -11.212
 1020   1HH2  ARG 137          HH21      ARG 137  22.226  -8.534  -8.534
 1021   2HH2  ARG 137          HH22      ARG 137  21.859  -9.457  -9.457
 1022    H    ASP 138           HN       ASP 138  16.354  -9.434  -9.434
 1023    HA   ASP 138           HA       ASP 138  13.899 -10.908 -10.908
 1024   1HB   ASP 138           HB2      ASP 138  15.891 -10.220 -10.220
 1025   2HB   ASP 138           HB1      ASP 138  14.212  -9.716  -9.716
 1026    H    ALA 139           HN       ALA 139  13.752 -13.078 -13.078
 1027    HA   ALA 139           HA       ALA 139  15.039 -15.018 -15.018
 1028   1HB   ALA 139           HB1      ALA 139  13.571 -15.061 -15.061
 1029   2HB   ALA 139           HB3      ALA 139  14.437 -16.510 -16.510
 1030   3HB   ALA 139           HB2      ALA 139  13.170 -15.833 -15.833
 1031    H    SER 140           HN       SER 140  16.151 -13.234 -13.234
 1032    HA   SER 140           HA       SER 140  18.201 -15.005 -15.005
 1033   1HB   SER 140           HB1      SER 140  17.907 -13.569 -13.569
 1034   2HB   SER 140           HB2      SER 140  17.219 -12.340 -12.340
 1035    HG   SER 140           HG       SER 140  19.614 -12.355 -12.355
 1036    H    GLY 141           HN       GLY 141  18.332 -11.882 -11.882
 1037   1HA   GLY 141           HA2      GLY 141  19.730 -12.137 -12.137
 1038   2HA   GLY 141           HA1      GLY 141  20.987 -12.629 -12.629
 1039    H    LEU 142           HN       LEU 142  18.566 -10.077 -10.077
 1040    HA   LEU 142           HA       LEU 142  20.762  -8.113  -8.113
 1041   1HB   LEU 142           HB2      LEU 142  18.296  -7.669  -7.669
 1042   2HB   LEU 142           HB1      LEU 142  19.922  -7.066  -7.066
 1043    HG   LEU 142           HG       LEU 142  19.221  -9.971  -9.971
 1044   1HD1  LEU 142          HD12      LEU 142  19.144  -7.767  -7.767
 1045   2HD1  LEU 142          HD11      LEU 142  19.039  -9.493  -9.493
 1046   3HD1  LEU 142          HD13      LEU 142  17.770  -8.703  -8.703
 1047   1HD2  LEU 142          HD22      LEU 142  21.630  -8.994  -8.994
 1048   2HD2  LEU 142          HD21      LEU 142  21.275 -10.188 -10.188
 1049   3HD2  LEU 142          HD23      LEU 142  21.372  -8.477  -8.477
 1050    H    THR 143           HN       THR 143  20.570  -6.520  -6.520
 1051    HA   THR 143           HA       THR 143  18.007  -6.143  -6.143
 1052    HB   THR 143           HB       THR 143  19.173  -5.528  -5.528
 1053    HG1  THR 143           HG1      THR 143  21.346  -4.485  -4.485
 1054   1HG2  THR 143          HG21      THR 143  20.216  -7.672  -7.672
 1055   2HG2  THR 143          HG23      THR 143  21.541  -6.707  -6.707
 1056   3HG2  THR 143          HG22      THR 143  21.205  -6.691  -6.691
 1057    HA   PRO 144           HA       PRO 144  17.046  -1.970  -1.970
 1058   1HB   PRO 144           HB1      PRO 144  18.630  -0.809  -0.809
 1059   2HB   PRO 144           HB2      PRO 144  16.967  -0.474  -0.474
 1060   1HG   PRO 144           HG2      PRO 144  17.465  -2.001  -2.001
 1061   2HG   PRO 144           HG1      PRO 144  16.141  -2.395  -2.395
 1062   1HD   PRO 144           HD2      PRO 144  18.813  -3.684  -3.684
 1063   2HD   PRO 144           HD1      PRO 144  17.251  -4.407  -4.407
 1064    H    LEU 145           HN       LEU 145  20.333  -1.701  -1.701
 1065    HA   LEU 145           HA       LEU 145  21.193   0.176   0.176
 1066   1HB   LEU 145           HB2      LEU 145  22.313   0.238   0.238
 1067   2HB   LEU 145           HB1      LEU 145  22.624  -1.488  -1.488
 1068    HG   LEU 145           HG       LEU 145  24.113  -1.000  -1.000
 1069   1HD1  LEU 145          HD21      LEU 145  23.155   1.617   1.617
 1070   2HD1  LEU 145          HD23      LEU 145  24.892   1.583   1.583
 1071   3HD1  LEU 145          HD22      LEU 145  24.260   1.091   1.091
 1072   1HD2  LEU 145          HD11      LEU 145  24.641  -1.288  -1.288
 1073   2HD2  LEU 145          HD13      LEU 145  25.874  -1.130  -1.130
 1074   3HD2  LEU 145          HD12      LEU 145  25.378   0.282   0.282
 1075    H    GLU 146           HN       GLU 146  21.569  -3.321  -3.321
 1076    HA   GLU 146           HA       GLU 146  23.411  -3.805  -3.805
 1077   1HB   GLU 146           HB2      GLU 146  22.013  -5.374  -5.374
 1078   2HB   GLU 146           HB1      GLU 146  21.176  -5.733  -5.733
 1079   1HG   GLU 146           HG1      GLU 146  24.101  -6.088  -6.088
 1080   2HG   GLU 146           HG2      GLU 146  22.900  -7.347  -7.347
 1081    H    LEU 147           HN       LEU 147  19.882  -4.228  -4.228
 1082    HA   LEU 147           HA       LEU 147  19.853  -4.474  -4.474
 1083   1HB   LEU 147           HB2      LEU 147  17.935  -4.129  -4.129
 1084   2HB   LEU 147           HB1      LEU 147  17.524  -3.032  -3.032
 1085    HG   LEU 147           HG       LEU 147  18.033  -5.963  -5.963
 1086   1HD1  LEU 147          HD12      LEU 147  16.058  -5.165  -5.165
 1087   2HD1  LEU 147          HD11      LEU 147  15.259  -4.960  -4.960
 1088   3HD1  LEU 147          HD13      LEU 147  15.911  -6.534  -6.534
 1089   1HD2  LEU 147          HD23      LEU 147  17.920  -3.972  -3.972
 1090   2HD2  LEU 147          HD22      LEU 147  17.349  -5.606  -5.606
 1091   3HD2  LEU 147          HD21      LEU 147  16.202  -4.348  -4.348
 1092    H    ALA 148           HN       ALA 148  19.793  -1.562  -1.562
 1093    HA   ALA 148           HA       ALA 148  19.419   0.233   0.233
 1094   1HB   ALA 148           HB1      ALA 148  18.993   0.560   0.560
 1095   2HB   ALA 148           HB3      ALA 148  20.668   1.112   1.112
 1096   3HB   ALA 148           HB2      ALA 148  19.469   1.923   1.923
 1097    H    ARG 149           HN       ARG 149  22.145  -1.291  -1.291
 1098    HA   ARG 149           HA       ARG 149  24.159   0.472   0.472
 1099   1HB   ARG 149           HB1      ARG 149  24.345  -1.280  -1.280
 1100   2HB   ARG 149           HB2      ARG 149  24.550  -2.460  -2.460
 1101   1HG   ARG 149           HG1      ARG 149  26.314  -0.200  -0.200
 1102   2HG   ARG 149           HG2      ARG 149  26.535  -0.965  -0.965
 1103   1HD   ARG 149           HD2      ARG 149  26.263  -2.931  -2.931
 1104   2HD   ARG 149           HD1      ARG 149  27.582  -1.810  -1.810
 1105    HE   ARG 149           HE       ARG 149  27.559  -2.879  -2.879
 1106   1HH1  ARG 149          HH11      ARG 149  28.688  -3.277  -3.277
 1107   2HH1  ARG 149          HH12      ARG 149  30.030  -4.276  -4.276
 1108   1HH2  ARG 149          HH21      ARG 149  29.323  -4.196  -4.196
 1109   2HH2  ARG 149          HH22      ARG 149  30.389  -4.801  -4.801
 1110    H    GLN 150           HN       GLN 150  22.892  -2.618  -2.618
 1111    HA   GLN 150           HA       GLN 150  24.544  -2.711  -2.711
 1112   1HB   GLN 150           HB1      GLN 150  22.453  -4.215  -4.215
 1113   2HB   GLN 150           HB2      GLN 150  23.725  -4.803  -4.803
 1114   1HG   GLN 150           HG1      GLN 150  22.387  -4.827  -4.827
 1115   2HG   GLN 150           HG2      GLN 150  21.428  -3.459  -3.459
 1116   1HE2  GLN 150          HE22      GLN 150  20.332  -7.270  -7.270
 1117   2HE2  GLN 150          HE21      GLN 150  21.836  -6.892  -6.892
 1118    H    ARG 151           HN       ARG 151  21.005  -2.379  -2.379
 1119    HA   ARG 151           HA       ARG 151  21.073  -0.958  -0.958
 1120   1HB   ARG 151           HB2      ARG 151  18.808  -1.475  -1.475
 1121   2HB   ARG 151           HB1      ARG 151  18.616  -0.745  -0.745
 1122   1HG   ARG 151           HG1      ARG 151  19.213  -2.742  -2.742
 1123   2HG   ARG 151           HG2      ARG 151  19.818  -3.469  -3.469
 1124   1HD   ARG 151           HD2      ARG 151  17.582  -3.569  -3.569
 1125   2HD   ARG 151           HD1      ARG 151  16.941  -2.718  -2.718
 1126    HE   ARG 151           HE       ARG 151  17.568  -5.507  -5.507
 1127   1HH1  ARG 151          HH21      ARG 151  17.280  -2.806  -2.806
 1128   2HH1  ARG 151          HH22      ARG 151  16.967  -3.791  -3.791
 1129   1HH2  ARG 151          HH11      ARG 151  17.153  -6.816  -6.816
 1130   2HH2  ARG 151          HH12      ARG 151  16.893  -6.072  -6.072
 1131    H    GLY 152           HN       GLY 152  22.672   0.529   0.529
 1132   1HA   GLY 152           HA1      GLY 152  21.479   2.509   2.509
 1133   2HA   GLY 152           HA2      GLY 152  23.083   2.582   2.582
 1134    H    ALA 153           HN       ALA 153  19.767   2.525   2.525
 1135    HA   ALA 153           HA       ALA 153  19.887   3.825   3.825
 1136   1HB   ALA 153           HB2      ALA 153  17.933   4.087   4.087
 1137   2HB   ALA 153           HB1      ALA 153  17.772   5.154   5.154
 1138   3HB   ALA 153           HB3      ALA 153  17.721   3.405   3.405
 1139    H    GLN 154           HN       GLN 154  20.427   5.334   5.334
 1140    HA   GLN 154           HA       GLN 154  22.113   7.311   7.311
 1141   1HB   GLN 154           HB2      GLN 154  20.455   9.310   9.310
 1142   2HB   GLN 154           HB1      GLN 154  20.562   8.491   8.491
 1143   1HG   GLN 154           HG1      GLN 154  18.249   9.050   9.050
 1144   2HG   GLN 154           HG2      GLN 154  18.481   7.643   7.643
 1145   1HE2  GLN 154          HE22      GLN 154  17.732   7.232   7.232
 1146   2HE2  GLN 154          HE21      GLN 154  18.067   8.774   8.774
 1147    H    ASN 155           HN       ASN 155  19.903   8.940   8.940
 1148    HA   ASN 155           HA       ASN 155  21.612   8.661   8.661
 1149   1HB   ASN 155           HB2      ASN 155  18.890   9.956   9.956
 1150   2HB   ASN 155           HB1      ASN 155  20.271  10.320  10.320
 1151   1HD2  ASN 155          HD22      ASN 155  19.835  12.079  12.079
 1152   2HD2  ASN 155          HD21      ASN 155  18.730  10.893  10.893
 1153    H    LEU 156           HN       LEU 156  19.560   6.482   6.482
 1154    HA   LEU 156           HA       LEU 156  17.719   5.805   5.805
 1155   1HB   LEU 156           HB2      LEU 156  19.018   4.520   4.520
 1156   2HB   LEU 156           HB1      LEU 156  18.861   3.384   3.384
 1157    HG   LEU 156           HG       LEU 156  16.699   4.790   4.790
 1158   1HD1  LEU 156          HD13      LEU 156  17.826   2.339   2.339
 1159   2HD1  LEU 156          HD12      LEU 156  16.471   1.972   1.972
 1160   3HD1  LEU 156          HD11      LEU 156  16.182   2.747   2.747
 1161   1HD2  LEU 156          HD23      LEU 156  16.611   3.742   3.742
 1162   2HD2  LEU 156          HD22      LEU 156  15.874   5.194   5.194
 1163   3HD2  LEU 156          HD21      LEU 156  15.191   3.608   3.608
 1164    H    MET 157           HN       MET 157  20.939   4.282   4.282
 1165    HA   MET 157           HA       MET 157  20.864   2.958   2.958
 1166   1HB   MET 157           HB1      MET 157  23.084   2.496   2.496
 1167   2HB   MET 157           HB2      MET 157  22.609   2.981   2.981
 1168   1HG   MET 157           HG1      MET 157  23.598   5.107   5.107
 1169   2HG   MET 157           HG2      MET 157  23.818   4.891   4.891
 1170   1HE   MET 157           HE2      MET 157  25.170   2.620   2.620
 1171   2HE   MET 157           HE1      MET 157  24.728   1.579   1.579
 1172   3HE   MET 157           HE3      MET 157  26.427   1.850   1.850
 1173    H    ASP 158           HN       ASP 158  21.463   6.309   6.309
 1174    HA   ASP 158           HA       ASP 158  22.565   6.960   6.960
 1175   1HB   ASP 158           HB2      ASP 158  21.257   9.097   9.097
 1176   2HB   ASP 158           HB1      ASP 158  22.554   8.227   8.227
 1177    H    ILE 159           HN       ILE 159  19.374   7.538   7.538
 1178    HA   ILE 159           HA       ILE 159  18.177   8.850   8.850
 1179    HB   ILE 159           HB       ILE 159  16.247   7.010   7.010
 1180   1HG1  ILE 159          HG12      ILE 159  17.838   8.529   8.529
 1181   2HG1  ILE 159          HG11      ILE 159  17.910   6.787   6.787
 1182   1HG2  ILE 159          HG22      ILE 159  16.743   9.963   9.963
 1183   2HG2  ILE 159          HG21      ILE 159  15.369   9.208   9.208
 1184   3HG2  ILE 159          HG23      ILE 159  15.538   9.090   9.090
 1185   1HD1  ILE 159          HD12      ILE 159  15.483   6.687   6.687
 1186   2HD1  ILE 159          HD11      ILE 159  15.553   8.401   8.401
 1187   3HD1  ILE 159          HD13      ILE 159  16.489   7.235   7.235
 1188    H    LEU 160           HN       LEU 160  18.511   5.355   5.355
 1189    HA   LEU 160           HA       LEU 160  17.049   4.709   4.709
 1190   1HB   LEU 160           HB1      LEU 160  18.898   2.656   2.656
 1191   2HB   LEU 160           HB2      LEU 160  17.155   2.598   2.598
 1192    HG   LEU 160           HG       LEU 160  18.716   3.544   3.544
 1193   1HD1  LEU 160          HD12      LEU 160  18.373   1.109   1.109
 1194   2HD1  LEU 160          HD11      LEU 160  16.632   1.389   1.389
 1195   3HD1  LEU 160          HD13      LEU 160  17.580   1.764   1.764
 1196   1HD2  LEU 160          HD23      LEU 160  16.091   4.358   4.358
 1197   2HD2  LEU 160          HD22      LEU 160  17.088   4.982   4.982
 1198   3HD2  LEU 160          HD21      LEU 160  16.046   3.582   3.582
 1199    H    GLN 161           HN       GLN 161  20.486   4.847   4.847
 1200    HA   GLN 161           HA       GLN 161  21.583   3.880   3.880
 1201   1HB   GLN 161           HB2      GLN 161  22.477   5.450   5.450
 1202   2HB   GLN 161           HB1      GLN 161  23.273   5.948   5.948
 1203   1HG   GLN 161           HG2      GLN 161  23.763   3.475   3.475
 1204   2HG   GLN 161           HG1      GLN 161  23.298   3.260   3.260
 1205   1HE2  GLN 161          HE22      GLN 161  26.999   4.269   4.269
 1206   2HE2  GLN 161          HE21      GLN 161  25.869   3.532   3.532
 1207    H    GLY 162           HN       GLY 162  20.783   7.263   7.263
 1208   1HA   GLY 162           HA1      GLY 162  21.587   8.355   8.355
 1209   2HA   GLY 162           HA2      GLY 162  20.438   9.086   9.086
 1210    H    HIS 163           HN       HIS 163  18.419   7.187   7.187
 1211    HA   HIS 163           HA       HIS 163  17.110   7.852   7.852
 1212   1HB   HIS 163           HB2      HIS 163  16.384   6.652   6.652
 1213   2HB   HIS 163           HB1      HIS 163  15.550   5.908   5.908
 1214    HD2  HIS 163           HD2      HIS 163  14.890   8.603   8.603
 1215    HE1  HIS 163           HE1      HIS 163  13.140   9.924   9.924
 1216    HE2  HIS 163           HE2      HIS 163  13.414  10.403  10.403
 1217    H    MET 164           HN       MET 164  19.312   5.473   5.473
 1218    HA   MET 164           HA       MET 164  18.273   3.225   3.225
 1219   1HB   MET 164           HB1      MET 164  20.546   3.771   3.771
 1220   2HB   MET 164           HB2      MET 164  21.180   3.519   3.519
 1221   1HG   MET 164           HG2      MET 164  20.912   1.327   1.327
 1222   2HG   MET 164           HG1      MET 164  19.240   1.500   1.500
 1223   1HE   MET 164           HE2      MET 164  21.444  -0.520  -0.520
 1224   2HE   MET 164           HE1      MET 164  20.488  -1.070  -1.070
 1225   3HE   MET 164           HE3      MET 164  22.168  -0.585  -0.585
 1226    H    MET 165           HN       MET 165  19.394   2.300   2.300
 1227    HA   MET 165           HA       MET 165  19.020   4.182   4.182
 1228   1HB   MET 165           HB2      MET 165  18.464   1.602   1.602
 1229   2HB   MET 165           HB1      MET 165  20.112   1.440   1.440
 1230   1HG   MET 165           HG1      MET 165  19.246   1.638   1.638
 1231   2HG   MET 165           HG2      MET 165  19.051   3.350   3.350
 1232   1HE   MET 165           HE1      MET 165  17.054   3.993   3.993
 1233   2HE   MET 165           HE3      MET 165  16.835   4.553   4.553
 1234   3HE   MET 165           HE2      MET 165  15.476   3.857   3.857
 1235    H    ILE 166           HN       ILE 166  20.687   5.673   5.673
 1236    HA   ILE 166           HA       ILE 166  23.220   4.772   4.772
 1237    HB   ILE 166           HB       ILE 166  24.313   6.365   6.365
 1238   1HG1  ILE 166          HG12      ILE 166  21.895   5.172   5.172
 1239   2HG1  ILE 166          HG11      ILE 166  22.267   6.885   6.885
 1240   1HG2  ILE 166          HG23      ILE 166  23.918   3.496   3.496
 1241   2HG2  ILE 166          HG22      ILE 166  24.257   3.993   3.993
 1242   3HG2  ILE 166          HG21      ILE 166  25.382   4.410   4.410
 1243   1HD1  ILE 166          HD12      ILE 166  24.479   6.035   6.035
 1244   2HD1  ILE 166          HD11      ILE 166  23.269   4.932   4.932
 1245   3HD1  ILE 166          HD13      ILE 166  23.043   6.675   6.675
 1246    HA   PRO 167           HA       PRO 167  21.539   8.711   8.711
 1247   1HB   PRO 167           HB2      PRO 167  23.251   7.585   7.585
 1248   2HB   PRO 167           HB1      PRO 167  21.641   8.307   8.307
 1249   1HG   PRO 167           HG1      PRO 167  21.960   5.669   5.669
 1250   2HG   PRO 167           HG2      PRO 167  20.584   6.364   6.364
 1251   1HD   PRO 167           HD1      PRO 167  23.081   5.126   5.126
 1252   2HD   PRO 167           HD2      PRO 167  21.426   5.066   5.066
 1253    H    MET 168           HN       MET 168  23.022  10.254  10.254
 1254    HA   MET 168           HA       MET 168  24.627  11.874  11.874
 1255   1HB   MET 168           HB2      MET 168  26.782   9.915   9.915
 1256   2HB   MET 168           HB1      MET 168  26.576  11.124  11.124
 1257   1HG   MET 168           HG2      MET 168  24.919   9.639   9.639
 1258   2HG   MET 168           HG1      MET 168  25.280   8.413   8.413
 1259   1HE   MET 168           HE2      MET 168  25.679   9.059   9.059
 1260   2HE   MET 168           HE1      MET 168  25.522   7.405   7.405
 1261   3HE   MET 168           HE3      MET 168  26.940   7.875   7.875

  Start of MODEL   10
    1   1H    GLY   1           HT2      GLY   1 -33.851 -22.546 -22.546
    2   2H    GLY   1           HT1      GLY   1 -34.005 -20.863 -20.863
    3   3H    GLY   1           HT3      GLY   1 -35.356 -21.851 -21.851
    4   1HA   GLY   1           HA1      GLY   1 -35.821 -21.962 -21.962
    5   2HA   GLY   1           HA2      GLY   1 -34.622 -20.696 -20.696
    6    H    SER   2           HN       SER   2 -33.138 -21.134 -21.134
    7    HA   SER   2           HA       SER   2 -32.097 -23.860 -23.860
    8   1HB   SER   2           HB2      SER   2 -32.158 -23.523 -23.523
    9   2HB   SER   2           HB1      SER   2 -33.671 -23.934 -23.934
   10    HG   SER   2           HG       SER   2 -32.874 -21.544 -21.544
   11    H    MET   3           HN       MET   3 -30.132 -23.254 -23.254
   12    HA   MET   3           HA       MET   3 -27.935 -22.640 -22.640
   13   1HB   MET   3           HB1      MET   3 -28.479 -22.856 -22.856
   14   2HB   MET   3           HB2      MET   3 -28.558 -21.100 -21.100
   15   1HG   MET   3           HG2      MET   3 -26.306 -20.872 -20.872
   16   2HG   MET   3           HG1      MET   3 -26.167 -22.500 -22.500
   17   1HE   MET   3           HE1      MET   3 -24.310 -21.023 -21.023
   18   2HE   MET   3           HE3      MET   3 -23.798 -22.064 -22.064
   19   3HE   MET   3           HE2      MET   3 -24.847 -20.683 -20.683
   20    H    LEU   4           HN       LEU   4 -28.089 -21.342 -21.342
   21    HA   LEU   4           HA       LEU   4 -28.513 -18.471 -18.471
   22   1HB   LEU   4           HB2      LEU   4 -29.863 -20.065 -20.065
   23   2HB   LEU   4           HB1      LEU   4 -28.622 -19.354 -19.354
   24    HG   LEU   4           HG       LEU   4 -30.733 -18.078 -18.078
   25   1HD1  LEU   4          HD23      LEU   4 -28.422 -17.042 -17.042
   26   2HD1  LEU   4          HD22      LEU   4 -28.631 -16.443 -16.443
   27   3HD1  LEU   4          HD21      LEU   4 -29.755 -15.950 -15.950
   28   1HD2  LEU   4          HD11      LEU   4 -31.231 -18.638 -18.638
   29   2HD2  LEU   4          HD13      LEU   4 -31.636 -17.019 -17.019
   30   3HD2  LEU   4          HD12      LEU   4 -30.180 -17.276 -17.276
   31    H    LEU   5           HN       LEU   5 -26.490 -17.726 -17.726
   32    HA   LEU   5           HA       LEU   5 -24.745 -17.297 -17.297
   33   1HB   LEU   5           HB1      LEU   5 -24.473 -19.862 -19.862
   34   2HB   LEU   5           HB2      LEU   5 -23.194 -18.978 -18.978
   35    HG   LEU   5           HG       LEU   5 -23.556 -18.910 -18.910
   36   1HD1  LEU   5          HD12      LEU   5 -22.327 -20.977 -20.977
   37   2HD1  LEU   5          HD11      LEU   5 -21.450 -20.510 -20.510
   38   3HD1  LEU   5          HD13      LEU   5 -23.097 -21.127 -21.127
   39   1HD2  LEU   5          HD23      LEU   5 -22.160 -17.204 -17.204
   40   2HD2  LEU   5          HD22      LEU   5 -21.493 -17.894 -17.894
   41   3HD2  LEU   5          HD21      LEU   5 -20.995 -18.526 -18.526
   42    H    GLU   6           HN       GLU   6 -25.370 -15.311 -15.311
   43    HA   GLU   6           HA       GLU   6 -23.155 -14.605 -14.605
   44   1HB   GLU   6           HB2      GLU   6 -25.432 -15.485 -15.485
   45   2HB   GLU   6           HB1      GLU   6 -25.718 -13.752 -13.752
   46   1HG   GLU   6           HG1      GLU   6 -23.508 -15.231 -15.231
   47   2HG   GLU   6           HG2      GLU   6 -24.687 -14.113 -14.113
   48    H    GLU   7           HN       GLU   7 -22.477 -13.023 -13.023
   49    HA   GLU   7           HA       GLU   7 -24.374 -10.829 -10.829
   50   1HB   GLU   7           HB2      GLU   7 -23.478 -12.303 -12.303
   51   2HB   GLU   7           HB1      GLU   7 -22.027 -11.327 -11.327
   52   1HG   GLU   7           HG2      GLU   7 -24.716 -10.049 -10.049
   53   2HG   GLU   7           HG1      GLU   7 -23.800 -10.589 -10.589
   54    H    VAL   8           HN       VAL   8 -23.555 -10.058 -10.058
   55    HA   VAL   8           HA       VAL   8 -21.023  -8.591  -8.591
   56    HB   VAL   8           HB       VAL   8 -20.746 -10.421 -10.421
   57   1HG1  VAL   8          HG11      VAL   8 -23.294  -9.479  -9.479
   58   2HG1  VAL   8          HG13      VAL   8 -22.131  -9.437  -9.437
   59   3HG1  VAL   8          HG12      VAL   8 -22.419 -10.941 -10.941
   60   1HG2  VAL   8          HG23      VAL   8 -19.933  -7.824  -7.824
   61   2HG2  VAL   8          HG22      VAL   8 -19.358  -9.163  -9.163
   62   3HG2  VAL   8          HG21      VAL   8 -20.661  -8.126  -8.126
   63    H    CYS   9           HN       CYS   9 -24.137  -8.109  -8.109
   64    HA   CYS   9           HA       CYS   9 -24.984  -6.362  -6.362
   65   1HB   CYS   9           HB1      CYS   9 -26.234  -5.195  -5.195
   66   2HB   CYS   9           HB2      CYS   9 -26.536  -6.912  -6.912
   67    HG   CYS   9           HG       CYS   9 -24.604  -7.070  -7.070
   68    H    VAL  10           HN       VAL  10 -23.678  -4.885  -4.885
   69    HA   VAL  10           HA       VAL  10 -22.727  -2.820  -2.820
   70    HB   VAL  10           HB       VAL  10 -22.923  -1.179  -1.179
   71   1HG1  VAL  10          HG21      VAL  10 -25.009  -2.996  -2.996
   72   2HG1  VAL  10          HG23      VAL  10 -24.770  -2.652  -2.652
   73   3HG1  VAL  10          HG22      VAL  10 -25.073  -1.333  -1.333
   74   1HG2  VAL  10          HG11      VAL  10 -21.860  -3.188  -3.188
   75   2HG2  VAL  10          HG13      VAL  10 -21.591  -1.446  -1.446
   76   3HG2  VAL  10          HG12      VAL  10 -23.029  -2.088  -2.088
   77    H    GLY  11           HN       GLY  11 -21.538  -5.426  -5.426
   78   1HA   GLY  11           HA2      GLY  11 -19.123  -4.726  -4.726
   79   2HA   GLY  11           HA1      GLY  11 -19.387  -6.223  -6.223
   80    H    ASP  12           HN       ASP  12 -19.938  -4.942  -4.942
   81    HA   ASP  12           HA       ASP  12 -17.190  -4.159  -4.159
   82   1HB   ASP  12           HB2      ASP  12 -19.321  -5.102  -5.102
   83   2HB   ASP  12           HB1      ASP  12 -18.247  -6.212  -6.212
   84    H    ARG  13           HN       ARG  13 -19.262  -2.368  -2.368
   85    HA   ARG  13           HA       ARG  13 -19.896  -0.653  -0.653
   86   1HB   ARG  13           HB1      ARG  13 -21.691  -1.041  -1.041
   87   2HB   ARG  13           HB2      ARG  13 -20.682  -0.494  -0.494
   88   1HG   ARG  13           HG1      ARG  13 -21.892   1.392   1.392
   89   2HG   ARG  13           HG2      ARG  13 -20.566   1.703   1.703
   90   1HD   ARG  13           HD2      ARG  13 -23.127   0.353   0.353
   91   2HD   ARG  13           HD1      ARG  13 -22.898   2.100   2.100
   92    HE   ARG  13           HE       ARG  13 -20.767   1.000   1.000
   93   1HH1  ARG  13          HH21      ARG  13 -24.238   0.967   0.967
   94   2HH1  ARG  13          HH22      ARG  13 -24.232   0.782   0.782
   95   1HH2  ARG  13          HH11      ARG  13 -20.746   0.756   0.756
   96   2HH2  ARG  13          HH12      ARG  13 -22.246   0.663   0.663
   97    H    LEU  14           HN       LEU  14 -18.425  -0.282  -0.282
   98    HA   LEU  14           HA       LEU  14 -17.294   2.263   2.263
   99   1HB   LEU  14           HB1      LEU  14 -17.877   1.616   1.616
  100   2HB   LEU  14           HB2      LEU  14 -16.676   0.340   0.340
  101    HG   LEU  14           HG       LEU  14 -14.935   2.150   2.150
  102   1HD1  LEU  14          HD21      LEU  14 -17.297   3.881   3.881
  103   2HD1  LEU  14          HD23      LEU  14 -15.618   4.409   4.409
  104   3HD1  LEU  14          HD22      LEU  14 -16.301   3.958   3.958
  105   1HD2  LEU  14          HD12      LEU  14 -16.557   1.976   1.976
  106   2HD2  LEU  14          HD11      LEU  14 -15.072   1.115   1.115
  107   3HD2  LEU  14          HD13      LEU  14 -15.030   2.852   2.852
  108    H    SER  15           HN       SER  15 -16.062  -1.045  -1.045
  109    HA   SER  15           HA       SER  15 -13.346  -0.517  -0.517
  110   1HB   SER  15           HB1      SER  15 -13.653  -2.735  -2.735
  111   2HB   SER  15           HB2      SER  15 -15.130  -2.843  -2.843
  112    HG   SER  15           HG       SER  15 -13.201  -3.951  -3.951
  113    H    GLY  16           HN       GLY  16 -15.966  -0.658  -0.658
  114   1HA   GLY  16           HA2      GLY  16 -14.288  -0.625  -0.625
  115   2HA   GLY  16           HA1      GLY  16 -16.014  -0.296  -0.296
  116    H    ALA  17           HN       ALA  17 -16.314   1.895   1.895
  117    HA   ALA  17           HA       ALA  17 -15.303   3.952   3.952
  118   1HB   ALA  17           HB2      ALA  17 -17.154   3.803   3.803
  119   2HB   ALA  17           HB1      ALA  17 -16.403   5.364   5.364
  120   3HB   ALA  17           HB3      ALA  17 -17.362   4.566   4.566
  121    H    ALA  18           HN       ALA  18 -14.602   2.884   2.884
  122    HA   ALA  18           HA       ALA  18 -12.849   5.011   5.011
  123   1HB   ALA  18           HB2      ALA  18 -13.966   3.470   3.470
  124   2HB   ALA  18           HB1      ALA  18 -12.798   2.235   2.235
  125   3HB   ALA  18           HB3      ALA  18 -12.245   3.732   3.732
  126    H    ALA  19           HN       ALA  19 -12.236   1.681   1.681
  127    HA   ALA  19           HA       ALA  19  -9.417   1.988   1.988
  128   1HB   ALA  19           HB1      ALA  19 -10.606  -0.190  -0.190
  129   2HB   ALA  19           HB3      ALA  19 -11.111  -0.016  -0.016
  130   3HB   ALA  19           HB2      ALA  19  -9.398  -0.148  -0.148
  131    H    ARG  20           HN       ARG  20 -11.903   3.166   3.166
  132    HA   ARG  20           HA       ARG  20 -10.691   3.032   3.032
  133   1HB   ARG  20           HB2      ARG  20 -13.029   4.306   4.306
  134   2HB   ARG  20           HB1      ARG  20 -12.299   5.275   5.275
  135   1HG   ARG  20           HG2      ARG  20 -12.587   3.548   3.548
  136   2HG   ARG  20           HG1      ARG  20 -13.032   2.381   2.381
  137   1HD   ARG  20           HD1      ARG  20 -15.117   3.368   3.368
  138   2HD   ARG  20           HD2      ARG  20 -14.635   4.877   4.877
  139    HE   ARG  20           HE       ARG  20 -14.497   2.869   2.869
  140   1HH1  ARG  20          HH11      ARG  20 -16.903   4.453   4.453
  141   2HH1  ARG  20          HH12      ARG  20 -18.177   4.221   4.221
  142   1HH2  ARG  20          HH21      ARG  20 -16.169   2.560   2.560
  143   2HH2  ARG  20          HH22      ARG  20 -17.761   3.143   3.143
  144    H    GLY  21           HN       GLY  21 -10.710   5.505   5.505
  145   1HA   GLY  21           HA2      GLY  21  -8.731   6.814   6.814
  146   2HA   GLY  21           HA1      GLY  21  -8.359   6.714   6.714
  147    H    ASP  22           HN       ASP  22 -11.108   7.796   7.796
  148    HA   ASP  22           HA       ASP  22 -10.991  10.383  10.383
  149   1HB   ASP  22           HB2      ASP  22 -13.736   9.526   9.526
  150   2HB   ASP  22           HB1      ASP  22 -12.893   8.470   8.470
  151    H    VAL  23           HN       VAL  23 -10.272  11.437  11.437
  152    HA   VAL  23           HA       VAL  23 -11.084  11.078  11.078
  153    HB   VAL  23           HB       VAL  23  -9.176  12.447  12.447
  154   1HG1  VAL  23          HG12      VAL  23 -11.085  14.246  14.246
  155   2HG1  VAL  23          HG11      VAL  23  -9.437  14.702  14.702
  156   3HG1  VAL  23          HG13      VAL  23  -9.720  13.349  13.349
  157   1HG2  VAL  23          HG21      VAL  23 -10.517  12.983  12.983
  158   2HG2  VAL  23          HG23      VAL  23  -9.603  14.359  14.359
  159   3HG2  VAL  23          HG22      VAL  23 -11.335  14.245  14.245
  160    H    GLN  24           HN       GLN  24 -12.815  12.422  12.422
  161    HA   GLN  24           HA       GLN  24 -14.568  14.109  14.109
  162   1HB   GLN  24           HB2      GLN  24 -14.795  12.895  12.895
  163   2HB   GLN  24           HB1      GLN  24 -15.961  14.031  14.031
  164   1HG   GLN  24           HG2      GLN  24 -14.607  15.803  15.803
  165   2HG   GLN  24           HG1      GLN  24 -13.148  14.889  14.889
  166   1HE2  GLN  24          HE22      GLN  24 -14.516  15.145  15.145
  167   2HE2  GLN  24          HE21      GLN  24 -15.537  15.531  15.531
  168    H    GLU  25           HN       GLU  25 -15.020  10.918  10.918
  169    HA   GLU  25           HA       GLU  25 -17.576  10.515  10.515
  170   1HB   GLU  25           HB1      GLU  25 -15.815   8.349   8.349
  171   2HB   GLU  25           HB2      GLU  25 -17.571   8.391   8.391
  172   1HG   GLU  25           HG1      GLU  25 -17.573   9.130   9.130
  173   2HG   GLU  25           HG2      GLU  25 -16.872  10.635  10.635
  174    H    VAL  26           HN       VAL  26 -14.287   9.536   9.536
  175    HA   VAL  26           HA       VAL  26 -14.776   7.585   7.585
  176    HB   VAL  26           HB       VAL  26 -12.515   8.486   8.486
  177   1HG1  VAL  26          HG23      VAL  26 -12.953  10.275  10.275
  178   2HG1  VAL  26          HG22      VAL  26 -11.374   9.966   9.966
  179   3HG1  VAL  26          HG21      VAL  26 -12.633  10.758  10.758
  180   1HG2  VAL  26          HG11      VAL  26 -13.264   6.943   6.943
  181   2HG2  VAL  26          HG13      VAL  26 -11.727   6.918   6.918
  182   3HG2  VAL  26          HG12      VAL  26 -11.934   7.971   7.971
  183    H    ARG  27           HN       ARG  27 -14.759  11.104  11.104
  184    HA   ARG  27           HA       ARG  27 -15.195  11.014  11.014
  185   1HB   ARG  27           HB2      ARG  27 -15.813  13.279  13.279
  186   2HB   ARG  27           HB1      ARG  27 -15.597  13.398  13.398
  187   1HG   ARG  27           HG2      ARG  27 -13.291  13.008  13.008
  188   2HG   ARG  27           HG1      ARG  27 -13.413  12.410  12.410
  189   1HD   ARG  27           HD1      ARG  27 -12.533  14.820  14.820
  190   2HD   ARG  27           HD2      ARG  27 -13.639  14.523  14.523
  191    HE   ARG  27           HE       ARG  27 -14.872  15.301  15.301
  192   1HH1  ARG  27          HH21      ARG  27 -13.639  16.309  16.309
  193   2HH1  ARG  27          HH22      ARG  27 -14.546  17.785  17.785
  194   1HH2  ARG  27          HH11      ARG  27 -16.070  17.239  17.239
  195   2HH2  ARG  27          HH12      ARG  27 -15.927  18.314  18.314
  196    H    ARG  28           HN       ARG  28 -17.353  11.683  11.683
  197    HA   ARG  28           HA       ARG  28 -19.693  11.928  11.928
  198   1HB   ARG  28           HB2      ARG  28 -19.642  11.108  11.108
  199   2HB   ARG  28           HB1      ARG  28 -20.896  11.995  11.995
  200   1HG   ARG  28           HG1      ARG  28 -18.801  13.665  13.665
  201   2HG   ARG  28           HG2      ARG  28 -18.404  12.949  12.949
  202   1HD   ARG  28           HD1      ARG  28 -21.207  13.676  13.676
  203   2HD   ARG  28           HD2      ARG  28 -20.139  15.056  15.056
  204    HE   ARG  28           HE       ARG  28 -19.402  13.496  13.496
  205   1HH1  ARG  28          HH11      ARG  28 -21.557  15.982  15.982
  206   2HH1  ARG  28          HH12      ARG  28 -21.790  16.682  16.682
  207   1HH2  ARG  28          HH21      ARG  28 -19.702  14.410  14.410
  208   2HH2  ARG  28          HH22      ARG  28 -20.736  15.787  15.787
  209    H    LEU  29           HN       LEU  29 -17.842   9.249   9.249
  210    HA   LEU  29           HA       LEU  29 -19.933   7.315   7.315
  211   1HB   LEU  29           HB1      LEU  29 -16.971   7.258   7.258
  212   2HB   LEU  29           HB2      LEU  29 -17.841   5.805   5.805
  213    HG   LEU  29           HG       LEU  29 -18.299   7.137   7.137
  214   1HD1  LEU  29          HD12      LEU  29 -15.922   5.747   5.747
  215   2HD1  LEU  29          HD11      LEU  29 -16.678   4.953   4.953
  216   3HD1  LEU  29          HD13      LEU  29 -16.207   6.649   6.649
  217   1HD2  LEU  29          HD22      LEU  29 -18.769   4.384   4.384
  218   2HD2  LEU  29          HD21      LEU  29 -19.967   5.544   5.544
  219   3HD2  LEU  29          HD23      LEU  29 -18.878   4.764   4.764
  220    H    LEU  30           HN       LEU  30 -17.404   7.554   7.554
  221    HA   LEU  30           HA       LEU  30 -18.979   6.151   6.151
  222   1HB   LEU  30           HB1      LEU  30 -16.567   7.799   7.799
  223   2HB   LEU  30           HB2      LEU  30 -17.126   6.315   6.315
  224    HG   LEU  30           HG       LEU  30 -15.359   5.508   5.508
  225   1HD1  LEU  30          HD22      LEU  30 -17.822   4.909   4.909
  226   2HD1  LEU  30          HD21      LEU  30 -16.839   5.302   5.302
  227   3HD1  LEU  30          HD23      LEU  30 -16.316   4.040   4.040
  228   1HD2  LEU  30          HD13      LEU  30 -15.606   7.964   7.964
  229   2HD2  LEU  30          HD12      LEU  30 -14.208   6.900   6.900
  230   3HD2  LEU  30          HD11      LEU  30 -15.379   6.640   6.640
  231    H    HIS  31           HN       HIS  31 -18.008   9.551   9.551
  232    HA   HIS  31           HA       HIS  31 -19.337  10.407  10.407
  233   1HB   HIS  31           HB2      HIS  31 -18.455  12.070  12.070
  234   2HB   HIS  31           HB1      HIS  31 -18.846  12.667  12.667
  235    HD2  HIS  31           HD2      HIS  31 -15.931  13.377  13.377
  236    HE1  HIS  31           HE1      HIS  31 -14.694  10.029  10.029
  237    HE2  HIS  31           HE2      HIS  31 -13.982  12.256  12.256
  238    H    ARG  32           HN       ARG  32 -20.488   9.548   9.548
  239    HA   ARG  32           HA       ARG  32 -23.062  10.818  10.818
  240   1HB   ARG  32           HB2      ARG  32 -21.380  11.386  11.386
  241   2HB   ARG  32           HB1      ARG  32 -22.876  10.650  10.650
  242   1HG   ARG  32           HG2      ARG  32 -23.988  12.387  12.387
  243   2HG   ARG  32           HG1      ARG  32 -22.448  13.232  13.232
  244   1HD   ARG  32           HD2      ARG  32 -22.725  13.152  13.152
  245   2HD   ARG  32           HD1      ARG  32 -24.295  12.384  12.384
  246    HE   ARG  32           HE       ARG  32 -23.679  15.165  15.165
  247   1HH1  ARG  32          HH21      ARG  32 -25.806  12.607  12.607
  248   2HH1  ARG  32          HH22      ARG  32 -27.105  13.677  13.677
  249   1HH2  ARG  32          HH11      ARG  32 -25.383  16.583  16.583
  250   2HH2  ARG  32          HH12      ARG  32 -26.865  15.937  15.937
  251    H    GLU  33           HN       GLU  33 -22.014   8.839   8.839
  252    HA   GLU  33           HA       GLU  33 -24.151   7.245   7.245
  253   1HB   GLU  33           HB2      GLU  33 -21.790   7.203   7.203
  254   2HB   GLU  33           HB1      GLU  33 -21.473   5.904   5.904
  255   1HG   GLU  33           HG1      GLU  33 -23.887   5.170   5.170
  256   2HG   GLU  33           HG2      GLU  33 -23.100   5.927   5.927
  257    H    LEU  34           HN       LEU  34 -21.861   7.064   7.064
  258    HA   LEU  34           HA       LEU  34 -21.849   5.904   5.904
  259   1HB   LEU  34           HB2      LEU  34 -24.695   6.025   6.025
  260   2HB   LEU  34           HB1      LEU  34 -24.285   4.774   4.774
  261    HG   LEU  34           HG       LEU  34 -23.689   7.715   7.715
  262   1HD1  LEU  34          HD11      LEU  34 -26.144   6.703   6.703
  263   2HD1  LEU  34          HD13      LEU  34 -25.616   6.266   6.266
  264   3HD1  LEU  34          HD12      LEU  34 -25.594   7.954   7.954
  265   1HD2  LEU  34          HD23      LEU  34 -22.647   5.397   5.397
  266   2HD2  LEU  34          HD22      LEU  34 -22.324   7.095   7.095
  267   3HD2  LEU  34          HD21      LEU  34 -23.663   6.270   6.270
  268    H    VAL  35           HN       VAL  35 -20.817   4.561   4.561
  269    HA   VAL  35           HA       VAL  35 -21.908   1.857   1.857
  270    HB   VAL  35           HB       VAL  35 -19.575   2.960   2.960
  271   1HG1  VAL  35          HG11      VAL  35 -20.979   0.304   0.304
  272   2HG1  VAL  35          HG13      VAL  35 -20.023   0.880   0.880
  273   3HG1  VAL  35          HG12      VAL  35 -19.259   0.635   0.635
  274   1HG2  VAL  35          HG23      VAL  35 -22.344   3.359   3.359
  275   2HG2  VAL  35          HG22      VAL  35 -21.033   3.797   3.797
  276   3HG2  VAL  35          HG21      VAL  35 -21.823   2.227   2.227
  277    H    HIS  36           HN       HIS  36 -21.307   0.609   0.609
  278    HA   HIS  36           HA       HIS  36 -19.264   0.960   0.960
  279   1HB   HIS  36           HB2      HIS  36 -21.136  -1.065  -1.065
  280   2HB   HIS  36           HB1      HIS  36 -19.567  -1.862  -1.862
  281    HD2  HIS  36           HD2      HIS  36 -20.864   1.009   1.009
  282    HE1  HIS  36           HE1      HIS  36 -19.799  -2.405  -2.405
  283    HE2  HIS  36           HE2      HIS  36 -20.770  -0.064  -0.064
  284    HA   PRO  37           HA       PRO  37 -15.539   0.553   0.553
  285   1HB   PRO  37           HB1      PRO  37 -14.421  -0.135  -0.135
  286   2HB   PRO  37           HB2      PRO  37 -13.881   1.073   1.073
  287   1HG   PRO  37           HG2      PRO  37 -15.182   1.800   1.800
  288   2HG   PRO  37           HG1      PRO  37 -15.476   2.620   2.620
  289   1HD   PRO  37           HD2      PRO  37 -17.149   0.596   0.596
  290   2HD   PRO  37           HD1      PRO  37 -17.651   2.007   2.007
  291    H    ASP  38           HN       ASP  38 -16.509  -1.832  -1.832
  292    HA   ASP  38           HA       ASP  38 -14.762  -3.893  -3.893
  293   1HB   ASP  38           HB1      ASP  38 -17.133  -5.170  -5.170
  294   2HB   ASP  38           HB2      ASP  38 -17.230  -3.611  -3.611
  295    H    ALA  39           HN       ALA  39 -17.466  -2.641  -2.641
  296    HA   ALA  39           HA       ALA  39 -18.613  -4.547  -4.547
  297   1HB   ALA  39           HB2      ALA  39 -17.455  -1.952  -1.952
  298   2HB   ALA  39           HB1      ALA  39 -18.373  -3.010  -3.010
  299   3HB   ALA  39           HB3      ALA  39 -19.133  -2.344  -2.344
  300    H    LEU  40           HN       LEU  40 -17.786  -6.418  -6.418
  301    HA   LEU  40           HA       LEU  40 -15.160  -6.425  -6.425
  302   1HB   LEU  40           HB1      LEU  40 -16.814  -8.615  -8.615
  303   2HB   LEU  40           HB2      LEU  40 -15.393  -8.940  -8.940
  304    HG   LEU  40           HG       LEU  40 -14.373  -7.176  -7.176
  305   1HD1  LEU  40          HD22      LEU  40 -16.685  -7.296  -7.296
  306   2HD1  LEU  40          HD21      LEU  40 -16.170  -8.890  -8.890
  307   3HD1  LEU  40          HD23      LEU  40 -15.249  -7.458  -7.458
  308   1HD2  LEU  40          HD13      LEU  40 -14.104  -9.872  -9.872
  309   2HD2  LEU  40          HD12      LEU  40 -13.020  -8.901  -8.901
  310   3HD2  LEU  40          HD11      LEU  40 -14.311  -9.838  -9.838
  311    H    ASN  41           HN       ASN  41 -14.925  -6.908  -6.908
  312    HA   ASN  41           HA       ASN  41 -17.238  -6.983  -6.983
  313   1HB   ASN  41           HB2      ASN  41 -15.746  -6.893  -6.893
  314   2HB   ASN  41           HB1      ASN  41 -14.948  -5.973  -5.973
  315   1HD2  ASN  41          HD21      ASN  41 -12.959  -6.526  -6.526
  316   2HD2  ASN  41          HD22      ASN  41 -12.134  -7.957  -7.957
  317    H    ARG  42           HN       ARG  42 -17.679  -8.669  -8.669
  318    HA   ARG  42           HA       ARG  42 -18.352 -11.077 -11.077
  319   1HB   ARG  42           HB1      ARG  42 -18.518 -11.861 -11.861
  320   2HB   ARG  42           HB2      ARG  42 -18.592 -10.115 -10.115
  321   1HG   ARG  42           HG1      ARG  42 -16.204 -10.093 -10.093
  322   2HG   ARG  42           HG2      ARG  42 -16.169 -11.852 -11.852
  323   1HD   ARG  42           HD2      ARG  42 -18.227 -10.674 -10.674
  324   2HD   ARG  42           HD1      ARG  42 -16.552 -10.606 -10.606
  325    HE   ARG  42           HE       ARG  42 -18.220 -12.879 -12.879
  326   1HH1  ARG  42          HH21      ARG  42 -14.942 -11.912 -11.912
  327   2HH1  ARG  42          HH22      ARG  42 -14.270 -13.460 -13.460
  328   1HH2  ARG  42          HH11      ARG  42 -17.345 -14.923 -14.923
  329   2HH2  ARG  42          HH12      ARG  42 -15.635 -15.174 -15.174
  330    H    PHE  43           HN       PHE  43 -15.125 -10.291 -10.291
  331    HA   PHE  43           HA       PHE  43 -13.975 -12.819 -12.819
  332   1HB   PHE  43           HB2      PHE  43 -13.066 -10.477 -10.477
  333   2HB   PHE  43           HB1      PHE  43 -12.325 -10.443 -10.443
  334    HD1  PHE  43           HD1      PHE  43 -12.893 -13.279 -13.279
  335    HD2  PHE  43           HD2      PHE  43 -10.069 -10.820 -10.820
  336    HE1  PHE  43           HE1      PHE  43 -11.061 -14.709 -14.709
  337    HE2  PHE  43           HE2      PHE  43  -8.231 -12.244 -12.244
  338    HZ   PHE  43           HZ       PHE  43  -8.726 -14.190 -14.190
  339    H    GLY  44           HN       GLY  44 -14.063 -10.231 -10.231
  340   1HA   GLY  44           HA2      GLY  44 -14.561 -10.985 -10.985
  341   2HA   GLY  44           HA1      GLY  44 -13.418 -12.288 -12.288
  342    H    LYS  45           HN       LYS  45 -12.986  -8.934  -8.934
  343    HA   LYS  45           HA       LYS  45 -10.746  -8.754  -8.754
  344   1HB   LYS  45           HB2      LYS  45 -10.846  -8.336  -8.336
  345   2HB   LYS  45           HB1      LYS  45 -10.390  -6.838  -6.838
  346   1HG   LYS  45           HG2      LYS  45  -8.339  -7.585  -7.585
  347   2HG   LYS  45           HG1      LYS  45  -8.954  -9.065  -9.065
  348   1HD   LYS  45           HD2      LYS  45  -8.699 -10.273 -10.273
  349   2HD   LYS  45           HD1      LYS  45  -9.173  -8.931  -8.931
  350   1HE   LYS  45           HE1      LYS  45  -7.055  -8.326  -8.326
  351   2HE   LYS  45           HE2      LYS  45  -6.637  -8.467  -8.467
  352   1HZ   LYS  45           HZ1      LYS  45  -6.753 -11.002 -11.002
  353   2HZ   LYS  45           HZ3      LYS  45  -6.464 -10.479 -10.479
  354   3HZ   LYS  45           HZ2      LYS  45  -5.359 -10.112 -10.112
  355    H    THR  46           HN       THR  46 -10.268  -6.624  -6.624
  356    HA   THR  46           HA       THR  46 -12.706  -5.163  -5.163
  357    HB   THR  46           HB       THR  46 -10.675  -3.839  -3.839
  358    HG1  THR  46           HG1      THR  46  -9.188  -5.437  -5.437
  359   1HG2  THR  46          HG23      THR  46 -12.856  -4.885  -4.885
  360   2HG2  THR  46          HG22      THR  46 -11.855  -6.298  -6.298
  361   3HG2  THR  46          HG21      THR  46 -11.477  -4.748  -4.748
  362    H    ALA  47           HN       ALA  47 -13.021  -2.961  -2.961
  363    HA   ALA  47           HA       ALA  47 -12.155  -1.949  -1.949
  364   1HB   ALA  47           HB3      ALA  47 -13.491  -0.706  -0.706
  365   2HB   ALA  47           HB2      ALA  47 -13.017   0.276   0.276
  366   3HB   ALA  47           HB1      ALA  47 -14.153  -1.056  -1.056
  367    H    LEU  48           HN       LEU  48 -10.765  -1.696  -1.696
  368    HA   LEU  48           HA       LEU  48  -9.046   0.506   0.506
  369   1HB   LEU  48           HB1      LEU  48  -9.428   0.132   0.132
  370   2HB   LEU  48           HB2      LEU  48  -9.180  -1.597  -1.597
  371    HG   LEU  48           HG       LEU  48  -6.733  -1.086  -1.086
  372   1HD1  LEU  48          HD23      LEU  48  -7.789   1.610   1.610
  373   2HD1  LEU  48          HD22      LEU  48  -6.418   1.299   1.299
  374   3HD1  LEU  48          HD21      LEU  48  -6.257   1.055   1.055
  375   1HD2  LEU  48          HD13      LEU  48  -8.156  -1.405  -1.405
  376   2HD2  LEU  48          HD12      LEU  48  -6.416  -1.590  -1.590
  377   3HD2  LEU  48          HD11      LEU  48  -7.079  -0.046  -0.046
  378    H    GLN  49           HN       GLN  49  -8.547  -3.013  -3.013
  379    HA   GLN  49           HA       GLN  49  -5.825  -2.988  -2.988
  380   1HB   GLN  49           HB2      GLN  49  -7.298  -4.942  -4.942
  381   2HB   GLN  49           HB1      GLN  49  -7.715  -5.154  -5.154
  382   1HG   GLN  49           HG1      GLN  49  -5.411  -5.551  -5.551
  383   2HG   GLN  49           HG2      GLN  49  -4.908  -5.194  -5.194
  384   1HE2  GLN  49          HE22      GLN  49  -4.872  -8.770  -8.770
  385   2HE2  GLN  49          HE21      GLN  49  -3.934  -7.402  -7.402
  386    H    VAL  50           HN       VAL  50  -8.648  -2.490  -2.490
  387    HA   VAL  50           HA       VAL  50  -7.059  -2.671  -2.671
  388    HB   VAL  50           HB       VAL  50  -9.326  -2.508  -2.508
  389   1HG1  VAL  50          HG13      VAL  50  -8.068  -4.733  -4.733
  390   2HG1  VAL  50          HG12      VAL  50  -9.809  -4.973  -4.973
  391   3HG1  VAL  50          HG11      VAL  50  -8.832  -4.664  -4.664
  392   1HG2  VAL  50          HG22      VAL  50 -10.208  -1.896  -1.896
  393   2HG2  VAL  50          HG21      VAL  50 -11.224  -2.349  -2.349
  394   3HG2  VAL  50          HG23      VAL  50 -10.713  -3.573  -3.573
  395    H    MET  51           HN       MET  51  -8.402  -0.460  -0.460
  396    HA   MET  51           HA       MET  51  -9.316   1.672   1.672
  397   1HB   MET  51           HB2      MET  51  -9.099   1.684   1.684
  398   2HB   MET  51           HB1      MET  51  -7.347   1.759   1.759
  399   1HG   MET  51           HG2      MET  51  -8.142   3.920   3.920
  400   2HG   MET  51           HG1      MET  51  -9.336   3.878   3.878
  401   1HE   MET  51           HE1      MET  51  -5.549   3.900   3.900
  402   2HE   MET  51           HE3      MET  51  -4.790   4.114   4.114
  403   3HE   MET  51           HE2      MET  51  -5.608   2.600   2.600
  404    H    MET  52           HN       MET  52  -8.479   3.426   3.426
  405    HA   MET  52           HA       MET  52  -5.964   2.924   2.924
  406   1HB   MET  52           HB1      MET  52  -8.393   4.278   4.278
  407   2HB   MET  52           HB2      MET  52  -7.080   5.440   5.440
  408   1HG   MET  52           HG1      MET  52  -6.892   2.760   2.760
  409   2HG   MET  52           HG2      MET  52  -7.737   4.102   4.102
  410   1HE   MET  52           HE2      MET  52  -6.435   6.604   6.604
  411   2HE   MET  52           HE1      MET  52  -5.008   6.665   6.665
  412   3HE   MET  52           HE3      MET  52  -6.512   5.978   5.978
  413    H    PHE  53           HN       PHE  53  -4.094   4.014   4.014
  414    HA   PHE  53           HA       PHE  53  -3.934   5.799   5.799
  415   1HB   PHE  53           HB2      PHE  53  -1.759   4.678   4.678
  416   2HB   PHE  53           HB1      PHE  53  -1.492   5.619   5.619
  417    HD1  PHE  53           HD2      PHE  53  -3.249   2.527   2.527
  418    HD2  PHE  53           HD1      PHE  53  -1.155   4.515   4.515
  419    HE1  PHE  53           HE2      PHE  53  -3.305   0.461   0.461
  420    HE2  PHE  53           HE1      PHE  53  -1.208   2.453   2.453
  421    HZ   PHE  53           HZ       PHE  53  -2.311   0.416   0.416
  422    H    GLY  54           HN       GLY  54  -4.468   6.146   6.146
  423   1HA   GLY  54           HA2      GLY  54  -2.906   8.250   8.250
  424   2HA   GLY  54           HA1      GLY  54  -4.586   8.025   8.025
  425    H    SER  55           HN       SER  55  -5.793   8.377   8.377
  426    HA   SER  55           HA       SER  55  -5.303  11.247  11.247
  427   1HB   SER  55           HB1      SER  55  -7.811   9.586   9.586
  428   2HB   SER  55           HB2      SER  55  -7.678  11.231  11.231
  429    HG   SER  55           HG       SER  55  -7.210  10.506  10.506
  430    HA   PRO  56           HA       PRO  56  -3.904  10.062  10.062
  431   1HB   PRO  56           HB1      PRO  56  -3.603  12.555  12.555
  432   2HB   PRO  56           HB2      PRO  56  -2.473  11.856  11.856
  433   1HG   PRO  56           HG2      PRO  56  -4.735  13.764  13.764
  434   2HG   PRO  56           HG1      PRO  56  -3.094  13.791  13.791
  435   1HD   PRO  56           HD1      PRO  56  -5.238  12.860  12.860
  436   2HD   PRO  56           HD2      PRO  56  -3.599  12.221  12.221
  437    H    ALA  57           HN       ALA  57  -6.525  12.372  12.372
  438    HA   ALA  57           HA       ALA  57  -7.510  12.404  12.404
  439   1HB   ALA  57           HB3      ALA  57  -8.550  13.181  13.181
  440   2HB   ALA  57           HB2      ALA  57  -9.730  12.947  12.947
  441   3HB   ALA  57           HB1      ALA  57  -8.427  14.118  14.118
  442    H    VAL  58           HN       VAL  58  -8.074  10.231  10.231
  443    HA   VAL  58           HA       VAL  58 -10.303   8.877   8.877
  444    HB   VAL  58           HB       VAL  58  -9.893   7.211   7.211
  445   1HG1  VAL  58          HG21      VAL  58  -8.833   9.824   9.824
  446   2HG1  VAL  58          HG23      VAL  58  -9.393   8.485   8.485
  447   3HG1  VAL  58          HG22      VAL  58 -10.522   9.320   9.320
  448   1HG2  VAL  58          HG11      VAL  58  -7.103   7.807   7.807
  449   2HG2  VAL  58          HG13      VAL  58  -7.848   6.324   6.324
  450   3HG2  VAL  58          HG12      VAL  58  -7.446   7.620   7.620
  451    H    ALA  59           HN       ALA  59  -6.874   8.583   8.583
  452    HA   ALA  59           HA       ALA  59  -6.861   6.063   6.063
  453   1HB   ALA  59           HB3      ALA  59  -5.012   8.259   8.259
  454   2HB   ALA  59           HB2      ALA  59  -4.839   7.524   7.524
  455   3HB   ALA  59           HB1      ALA  59  -4.697   6.529   6.529
  456    H    LEU  60           HN       LEU  60  -6.576   9.255   9.255
  457    HA   LEU  60           HA       LEU  60  -7.109   8.335   8.335
  458   1HB   LEU  60           HB2      LEU  60  -5.957  10.436  10.436
  459   2HB   LEU  60           HB1      LEU  60  -7.410  11.096  11.096
  460    HG   LEU  60           HG       LEU  60  -7.365  10.209  10.209
  461   1HD1  LEU  60          HD11      LEU  60  -6.109  12.572  12.572
  462   2HD1  LEU  60          HD13      LEU  60  -7.158  12.898  12.898
  463   3HD1  LEU  60          HD12      LEU  60  -5.799  11.786  11.786
  464   1HD2  LEU  60          HD23      LEU  60  -9.197  11.677  11.677
  465   2HD2  LEU  60          HD22      LEU  60  -9.548  10.619  10.619
  466   3HD2  LEU  60          HD21      LEU  60  -9.052  12.287  12.287
  467    H    GLU  61           HN       GLU  61  -9.202   9.405   9.405
  468    HA   GLU  61           HA       GLU  61 -11.528   9.895   9.895
  469   1HB   GLU  61           HB1      GLU  61 -10.917   9.316   9.316
  470   2HB   GLU  61           HB2      GLU  61 -12.582   9.108   9.108
  471   1HG   GLU  61           HG2      GLU  61 -12.205  11.499  11.499
  472   2HG   GLU  61           HG1      GLU  61 -10.951  11.582  11.582
  473    H    LEU  62           HN       LEU  62 -11.052   7.066   7.066
  474    HA   LEU  62           HA       LEU  62 -13.081   5.554   5.554
  475   1HB   LEU  62           HB2      LEU  62 -12.674   4.056   4.056
  476   2HB   LEU  62           HB1      LEU  62 -11.638   5.307   5.307
  477    HG   LEU  62           HG       LEU  62  -9.734   4.213   4.213
  478   1HD1  LEU  62          HD21      LEU  62 -11.958   2.423   2.423
  479   2HD1  LEU  62          HD23      LEU  62 -10.500   1.605   1.605
  480   3HD1  LEU  62          HD22      LEU  62 -10.426   2.686   2.686
  481   1HD2  LEU  62          HD11      LEU  62 -10.679   3.833   3.833
  482   2HD2  LEU  62          HD13      LEU  62  -9.156   3.194   3.194
  483   3HD2  LEU  62          HD12      LEU  62 -10.600   2.180   2.180
  484    H    LEU  63           HN       LEU  63  -9.625   5.764   5.764
  485    HA   LEU  63           HA       LEU  63  -9.378   3.535   3.535
  486   1HB   LEU  63           HB2      LEU  63  -7.486   4.768   4.768
  487   2HB   LEU  63           HB1      LEU  63  -7.787   6.100   6.100
  488    HG   LEU  63           HG       LEU  63  -7.406   4.386   4.386
  489   1HD1  LEU  63          HD13      LEU  63  -7.325   2.613   2.613
  490   2HD1  LEU  63          HD12      LEU  63  -5.619   2.864   2.864
  491   3HD1  LEU  63          HD11      LEU  63  -6.722   2.313   2.313
  492   1HD2  LEU  63          HD21      LEU  63  -5.701   6.080   6.080
  493   2HD2  LEU  63          HD23      LEU  63  -5.461   5.435   5.435
  494   3HD2  LEU  63          HD22      LEU  63  -4.801   4.580   4.580
  495    H    LYS  64           HN       LYS  64 -10.285   6.884   6.884
  496    HA   LYS  64           HA       LYS  64 -10.202   6.790   6.790
  497   1HB   LYS  64           HB2      LYS  64 -11.291   8.571   8.571
  498   2HB   LYS  64           HB1      LYS  64 -12.180   8.601   8.601
  499   1HG   LYS  64           HG1      LYS  64  -9.977   8.992   8.992
  500   2HG   LYS  64           HG2      LYS  64  -9.277   9.230   9.230
  501   1HD   LYS  64           HD2      LYS  64  -9.799  11.392  11.392
  502   2HD   LYS  64           HD1      LYS  64 -11.357  10.887  10.887
  503   1HE   LYS  64           HE2      LYS  64 -12.165  11.753  11.753
  504   2HE   LYS  64           HE1      LYS  64 -11.677  10.200  10.200
  505   1HZ   LYS  64           HZ1      LYS  64  -9.894  12.566  12.566
  506   2HZ   LYS  64           HZ3      LYS  64 -10.924  12.218  12.218
  507   3HZ   LYS  64           HZ2      LYS  64  -9.694  11.134  11.134
  508    H    GLN  65           HN       GLN  65 -12.896   6.298   6.298
  509    HA   GLN  65           HA       GLN  65 -15.044   5.983   5.983
  510   1HB   GLN  65           HB1      GLN  65 -14.277   5.053   5.053
  511   2HB   GLN  65           HB2      GLN  65 -14.929   3.659   3.659
  512   1HG   GLN  65           HG2      GLN  65 -16.290   6.258   6.258
  513   2HG   GLN  65           HG1      GLN  65 -16.733   4.636   4.636
  514   1HE2  GLN  65          HE22      GLN  65 -18.893   5.852   5.852
  515   2HE2  GLN  65          HE21      GLN  65 -18.386   6.568   6.568
  516    H    GLY  66           HN       GLY  66 -12.340   3.743   3.743
  517   1HA   GLY  66           HA2      GLY  66 -11.931   2.650   2.650
  518   2HA   GLY  66           HA1      GLY  66 -13.614   2.156   2.156
  519    H    ALA  67           HN       ALA  67 -11.157   2.167   2.167
  520    HA   ALA  67           HA       ALA  67 -11.678  -0.693  -0.693
  521   1HB   ALA  67           HB1      ALA  67 -11.033   1.547   1.547
  522   2HB   ALA  67           HB3      ALA  67 -10.191   0.043   0.043
  523   3HB   ALA  67           HB2      ALA  67 -11.953   0.075   0.075
  524    H    SER  68           HN       SER  68 -10.273  -2.033  -2.033
  525    HA   SER  68           HA       SER  68  -7.886  -1.429  -1.429
  526   1HB   SER  68           HB2      SER  68  -8.275  -4.061  -4.061
  527   2HB   SER  68           HB1      SER  68  -7.457  -3.744  -3.744
  528    HG   SER  68           HG       SER  68  -9.856  -4.573  -4.573
  529    HA   PRO  69           HA       PRO  69  -5.457  -0.267  -0.267
  530   1HB   PRO  69           HB2      PRO  69  -3.197   0.295   0.295
  531   2HB   PRO  69           HB1      PRO  69  -4.533   1.428   1.428
  532   1HG   PRO  69           HG1      PRO  69  -3.931  -0.368  -0.368
  533   2HG   PRO  69           HG2      PRO  69  -4.490   1.316   1.316
  534   1HD   PRO  69           HD1      PRO  69  -6.169  -0.738  -0.738
  535   2HD   PRO  69           HD2      PRO  69  -6.686   0.718   0.718
  536    H    ASN  70           HN       ASN  70  -4.794  -2.688  -2.688
  537    HA   ASN  70           HA       ASN  70  -2.668  -3.854  -3.854
  538   1HB   ASN  70           HB2      ASN  70  -3.549  -4.836  -4.836
  539   2HB   ASN  70           HB1      ASN  70  -2.013  -5.116  -5.116
  540   1HD2  ASN  70          HD22      ASN  70  -0.758  -2.658  -2.658
  541   2HD2  ASN  70          HD21      ASN  70  -0.833  -4.340  -4.340
  542    H    VAL  71           HN       VAL  71  -4.111  -4.580  -4.580
  543    HA   VAL  71           HA       VAL  71  -5.735  -6.911  -6.911
  544    HB   VAL  71           HB       VAL  71  -7.179  -6.529  -6.529
  545   1HG1  VAL  71          HG21      VAL  71  -6.935  -4.760  -4.760
  546   2HG1  VAL  71          HG23      VAL  71  -7.115  -3.721  -3.721
  547   3HG1  VAL  71          HG22      VAL  71  -8.333  -4.947  -4.947
  548   1HG2  VAL  71          HG12      VAL  71  -5.014  -4.705  -4.705
  549   2HG2  VAL  71          HG11      VAL  71  -6.001  -5.827  -5.827
  550   3HG2  VAL  71          HG13      VAL  71  -6.670  -4.277  -4.277
  551    H    GLN  72           HN       GLN  72  -5.504  -8.815  -8.815
  552    HA   GLN  72           HA       GLN  72  -3.543  -8.893  -8.893
  553   1HB   GLN  72           HB2      GLN  72  -3.545 -10.954 -10.954
  554   2HB   GLN  72           HB1      GLN  72  -2.333 -10.696 -10.696
  555   1HG   GLN  72           HG2      GLN  72  -2.132  -8.341  -8.341
  556   2HG   GLN  72           HG1      GLN  72  -2.796  -9.221  -9.221
  557   1HE2  GLN  72          HE22      GLN  72   0.085 -11.563 -11.563
  558   2HE2  GLN  72          HE21      GLN  72  -1.617 -11.705 -11.705
  559    H    ASP  73           HN       ASP  73  -3.635 -10.900 -10.900
  560    HA   ASP  73           HA       ASP  73  -6.396 -11.757 -11.757
  561   1HB   ASP  73           HB1      ASP  73  -3.943 -11.807 -11.807
  562   2HB   ASP  73           HB2      ASP  73  -5.161 -13.042 -13.042
  563    H    ALA  74           HN       ALA  74  -3.690 -13.827 -13.827
  564    HA   ALA  74           HA       ALA  74  -4.572 -15.725 -15.725
  565   1HB   ALA  74           HB2      ALA  74  -4.223 -16.127 -16.127
  566   2HB   ALA  74           HB1      ALA  74  -3.722 -17.438 -17.438
  567   3HB   ALA  74           HB3      ALA  74  -5.384 -16.849 -16.849
  568    H    SER  75           HN       SER  75  -2.161 -13.765 -13.765
  569    HA   SER  75           HA       SER  75  -0.167 -15.466 -15.466
  570   1HB   SER  75           HB1      SER  75   0.279 -14.080 -14.080
  571   2HB   SER  75           HB2      SER  75   1.560 -14.794 -14.794
  572    HG   SER  75           HG       SER  75  -0.047 -15.996 -15.996
  573    H    GLY  76           HN       GLY  76  -0.109 -12.327 -12.327
  574   1HA   GLY  76           HA1      GLY  76  -0.252 -10.662 -10.662
  575   2HA   GLY  76           HA2      GLY  76   1.443 -11.087 -11.087
  576    H    THR  77           HN       THR  77  -1.234 -10.168 -10.168
  577    HA   THR  77           HA       THR  77   0.626  -8.318  -8.318
  578    HB   THR  77           HB       THR  77  -1.955  -9.357  -9.357
  579    HG1  THR  77           HG1      THR  77  -0.750 -10.968 -10.968
  580   1HG2  THR  77          HG21      THR  77   0.172  -7.649  -7.649
  581   2HG2  THR  77          HG23      THR  77  -0.095  -9.042  -9.042
  582   3HG2  THR  77          HG22      THR  77  -1.430  -7.954  -7.954
  583    H    SER  78           HN       SER  78   0.079  -6.872  -6.872
  584    HA   SER  78           HA       SER  78  -2.537  -5.782  -5.782
  585   1HB   SER  78           HB2      SER  78  -0.454  -3.964  -3.964
  586   2HB   SER  78           HB1      SER  78  -1.669  -4.813  -4.813
  587    HG   SER  78           HG       SER  78  -0.231  -6.692  -6.692
  588    HA   PRO  79           HA       PRO  79  -2.798  -2.582  -2.582
  589   1HB   PRO  79           HB1      PRO  79  -3.163  -0.295  -0.295
  590   2HB   PRO  79           HB2      PRO  79  -4.439  -1.452  -1.452
  591   1HG   PRO  79           HG1      PRO  79  -2.820  -1.171  -1.171
  592   2HG   PRO  79           HG2      PRO  79  -4.544  -1.547  -1.547
  593   1HD   PRO  79           HD2      PRO  79  -2.729  -3.449  -3.449
  594   2HD   PRO  79           HD1      PRO  79  -4.137  -3.774  -3.774
  595    H    VAL  80           HN       VAL  80  -0.631  -1.922  -1.922
  596    HA   VAL  80           HA       VAL  80   0.812   0.206   0.206
  597    HB   VAL  80           HB       VAL  80   2.595  -0.457  -0.457
  598   1HG1  VAL  80          HG22      VAL  80   0.485   0.621   0.621
  599   2HG1  VAL  80          HG21      VAL  80  -0.042  -0.983  -0.983
  600   3HG1  VAL  80          HG23      VAL  80   1.407  -0.266  -0.266
  601   1HG2  VAL  80          HG12      VAL  80   1.086  -3.041  -3.041
  602   2HG2  VAL  80          HG11      VAL  80   2.790  -2.775  -2.775
  603   3HG2  VAL  80          HG13      VAL  80   2.195  -2.552  -2.552
  604    H    HIS  81           HN       HIS  81   1.274  -3.285  -3.285
  605    HA   HIS  81           HA       HIS  81   3.699  -3.289  -3.289
  606   1HB   HIS  81           HB1      HIS  81   1.335  -5.102  -5.102
  607   2HB   HIS  81           HB2      HIS  81   2.538  -5.353  -5.353
  608    HD2  HIS  81           HD2      HIS  81   5.231  -5.723  -5.723
  609    HE1  HIS  81           HE1      HIS  81   3.625  -7.352  -7.352
  610    HE2  HIS  81           HE2      HIS  81   5.673  -7.222  -7.222
  611    H    ASP  82           HN       ASP  82   0.549  -3.614  -3.614
  612    HA   ASP  82           HA       ASP  82   1.466  -3.123  -3.123
  613   1HB   ASP  82           HB2      ASP  82  -1.253  -2.203  -2.203
  614   2HB   ASP  82           HB1      ASP  82  -0.860  -3.917  -3.917
  615    H    ALA  83           HN       ALA  83   0.808  -0.906  -0.906
  616    HA   ALA  83           HA       ALA  83   0.592   1.460   1.460
  617   1HB   ALA  83           HB3      ALA  83   0.022   0.945   0.945
  618   2HB   ALA  83           HB2      ALA  83   1.645   1.589   1.589
  619   3HB   ALA  83           HB1      ALA  83   0.414   2.574   2.574
  620    H    ALA  84           HN       ALA  84   3.231  -0.526  -0.526
  621    HA   ALA  84           HA       ALA  84   5.277   1.466   1.466
  622   1HB   ALA  84           HB1      ALA  84   5.451  -1.512  -1.512
  623   2HB   ALA  84           HB3      ALA  84   6.825  -0.439  -0.439
  624   3HB   ALA  84           HB2      ALA  84   5.624  -0.667  -0.667
  625    H    ARG  85           HN       ARG  85   4.618  -1.105  -1.105
  626    HA   ARG  85           HA       ARG  85   6.251   0.001   0.001
  627   1HB   ARG  85           HB2      ARG  85   3.872  -1.792  -1.792
  628   2HB   ARG  85           HB1      ARG  85   5.311  -1.632  -1.632
  629   1HG   ARG  85           HG2      ARG  85   6.659  -2.714  -2.714
  630   2HG   ARG  85           HG1      ARG  85   5.339  -2.695  -2.695
  631   1HD   ARG  85           HD1      ARG  85   5.437  -4.235  -4.235
  632   2HD   ARG  85           HD2      ARG  85   5.540  -4.902  -4.902
  633    HE   ARG  85           HE       ARG  85   3.143  -3.450  -3.450
  634   1HH1  ARG  85          HH11      ARG  85   4.653  -6.395  -6.395
  635   2HH1  ARG  85          HH12      ARG  85   3.157  -7.246  -7.246
  636   1HH2  ARG  85          HH21      ARG  85   1.165  -4.559  -4.559
  637   2HH2  ARG  85          HH22      ARG  85   1.172  -6.202  -6.202
  638    H    THR  86           HN       THR  86   2.924   0.561   0.561
  639    HA   THR  86           HA       THR  86   2.091   1.789   1.789
  640    HB   THR  86           HB       THR  86   0.225   2.685   2.685
  641    HG1  THR  86           HG1      THR  86   1.561   2.949   2.949
  642   1HG2  THR  86          HG22      THR  86   0.956  -0.191  -0.191
  643   2HG2  THR  86          HG21      THR  86  -0.437   0.395   0.395
  644   3HG2  THR  86          HG23      THR  86  -0.382   0.595   0.595
  645    H    GLY  87           HN       GLY  87   4.344   2.795   2.795
  646   1HA   GLY  87           HA2      GLY  87   5.286   4.833   4.833
  647   2HA   GLY  87           HA1      GLY  87   4.955   5.199   5.199
  648    H    PHE  88           HN       PHE  88   3.444   5.179   5.179
  649    HA   PHE  88           HA       PHE  88   2.177   7.728   7.728
  650   1HB   PHE  88           HB2      PHE  88   0.738   5.172   5.172
  651   2HB   PHE  88           HB1      PHE  88   0.079   6.641   6.641
  652    HD1  PHE  88           HD1      PHE  88   0.219   8.698   8.698
  653    HD2  PHE  88           HD2      PHE  88  -0.300   4.543   4.543
  654    HE1  PHE  88           HE1      PHE  88  -0.867   9.251   9.251
  655    HE2  PHE  88           HE2      PHE  88  -1.386   5.088   5.088
  656    HZ   PHE  88           HZ       PHE  88  -1.665   7.450   7.450
  657    H    LEU  89           HN       LEU  89   4.283   7.630   7.630
  658    HA   LEU  89           HA       LEU  89   4.055   6.973   6.973
  659   1HB   LEU  89           HB2      LEU  89   6.138   7.714   7.714
  660   2HB   LEU  89           HB1      LEU  89   5.493   9.336   9.336
  661    HG   LEU  89           HG       LEU  89   5.260   9.235   9.235
  662   1HD1  LEU  89          HD22      LEU  89   5.848   6.768   6.768
  663   2HD1  LEU  89          HD21      LEU  89   7.506   7.269   7.269
  664   3HD1  LEU  89          HD23      LEU  89   6.708   7.785   7.785
  665   1HD2  LEU  89          HD12      LEU  89   7.006  10.415  10.415
  666   2HD2  LEU  89          HD11      LEU  89   7.119  10.518  10.518
  667   3HD2  LEU  89          HD13      LEU  89   8.110   9.356   9.356
  668    H    ASP  90           HN       ASP  90   2.450   9.474   9.474
  669    HA   ASP  90           HA       ASP  90   1.963  11.317  11.317
  670   1HB   ASP  90           HB2      ASP  90  -0.111  11.877  11.877
  671   2HB   ASP  90           HB1      ASP  90   0.375  10.580  10.580
  672    H    THR  91           HN       THR  91  -0.510   9.125   9.125
  673    HA   THR  91           HA       THR  91  -2.001   9.181   9.181
  674    HB   THR  91           HB       THR  91  -2.325   7.291   7.291
  675    HG1  THR  91           HG1      THR  91  -2.389   9.701   9.701
  676   1HG2  THR  91          HG22      THR  91  -3.597   6.945   6.945
  677   2HG2  THR  91          HG21      THR  91  -4.559   8.314   8.314
  678   3HG2  THR  91          HG23      THR  91  -4.460   6.850   6.850
  679    H    LEU  92           HN       LEU  92   0.415   7.119   7.119
  680    HA   LEU  92           HA       LEU  92  -0.021   4.776   4.776
  681   1HB   LEU  92           HB2      LEU  92   1.454   4.655   4.655
  682   2HB   LEU  92           HB1      LEU  92   2.432   5.983   5.983
  683    HG   LEU  92           HG       LEU  92   2.254   3.366   3.366
  684   1HD1  LEU  92          HD12      LEU  92   2.998   2.953   2.953
  685   2HD1  LEU  92          HD11      LEU  92   4.302   4.117   4.117
  686   3HD1  LEU  92          HD13      LEU  92   4.254   2.635   2.635
  687   1HD2  LEU  92          HD22      LEU  92   3.831   5.854   5.854
  688   2HD2  LEU  92          HD21      LEU  92   3.290   4.747   4.747
  689   3HD2  LEU  92          HD23      LEU  92   4.699   4.344   4.344
  690    H    LYS  93           HN       LYS  93   2.420   7.306   7.306
  691    HA   LYS  93           HA       LYS  93   3.270   6.406   6.406
  692   1HB   LYS  93           HB1      LYS  93   4.391   8.399   8.399
  693   2HB   LYS  93           HB2      LYS  93   4.080   8.393   8.393
  694   1HG   LYS  93           HG1      LYS  93   1.921   9.698   9.698
  695   2HG   LYS  93           HG2      LYS  93   2.849  10.052  10.052
  696   1HD   LYS  93           HD2      LYS  93   3.606  10.680  10.680
  697   2HD   LYS  93           HD1      LYS  93   3.209  11.827  11.827
  698   1HE   LYS  93           HE1      LYS  93   5.436   9.935   9.935
  699   2HE   LYS  93           HE2      LYS  93   5.718  11.231  11.231
  700   1HZ   LYS  93           HZ2      LYS  93   4.672  12.652  12.652
  701   2HZ   LYS  93           HZ1      LYS  93   5.262  11.386  11.386
  702   3HZ   LYS  93           HZ3      LYS  93   6.320  12.275  12.275
  703    H    VAL  94           HN       VAL  94   0.370   8.172   8.172
  704    HA   VAL  94           HA       VAL  94  -0.321   9.097   9.097
  705    HB   VAL  94           HB       VAL  94  -1.971   8.406   8.406
  706   1HG1  VAL  94          HG22      VAL  94  -2.932   9.139   9.139
  707   2HG1  VAL  94          HG21      VAL  94  -3.841   9.623   9.623
  708   3HG1  VAL  94          HG23      VAL  94  -3.548   7.914   7.914
  709   1HG2  VAL  94          HG12      VAL  94  -0.489  10.627  10.627
  710   2HG2  VAL  94          HG11      VAL  94  -1.730  10.555  10.555
  711   3HG2  VAL  94          HG13      VAL  94  -2.151  11.086  11.086
  712    H    LEU  95           HN       LEU  95  -1.694   6.277   6.277
  713    HA   LEU  95           HA       LEU  95  -2.758   5.153   5.153
  714   1HB   LEU  95           HB1      LEU  95  -3.418   3.297   3.297
  715   2HB   LEU  95           HB2      LEU  95  -3.691   4.764   4.764
  716    HG   LEU  95           HG       LEU  95  -1.182   4.080   4.080
  717   1HD1  LEU  95          HD22      LEU  95  -1.250   1.980   1.980
  718   2HD1  LEU  95          HD21      LEU  95  -2.711   1.511   1.511
  719   3HD1  LEU  95          HD23      LEU  95  -1.188   1.697   1.697
  720   1HD2  LEU  95          HD13      LEU  95  -3.695   4.382   4.382
  721   2HD2  LEU  95          HD12      LEU  95  -2.194   4.115   4.115
  722   3HD2  LEU  95          HD11      LEU  95  -3.228   2.747   2.747
  723    H    VAL  96           HN       VAL  96   0.239   4.949   4.949
  724    HA   VAL  96           HA       VAL  96   1.187   2.533   2.533
  725    HB   VAL  96           HB       VAL  96   2.479   4.753   4.753
  726   1HG1  VAL  96          HG22      VAL  96   3.835   2.727   2.727
  727   2HG1  VAL  96          HG21      VAL  96   4.528   3.075   3.075
  728   3HG1  VAL  96          HG23      VAL  96   4.321   4.373   4.373
  729   1HG2  VAL  96          HG12      VAL  96   1.998   1.820   1.820
  730   2HG2  VAL  96          HG11      VAL  96   1.338   3.181   3.181
  731   3HG2  VAL  96          HG13      VAL  96   3.051   2.782   2.782
  732    H    GLU  97           HN       GLU  97   2.038   5.953   5.953
  733    HA   GLU  97           HA       GLU  97   3.766   5.657   5.657
  734   1HB   GLU  97           HB2      GLU  97   3.434   7.974   7.974
  735   2HB   GLU  97           HB1      GLU  97   3.276   7.770   7.770
  736   1HG   GLU  97           HG2      GLU  97   0.891   7.800   7.800
  737   2HG   GLU  97           HG1      GLU  97   1.602   9.282   9.282
  738    H    HIS  98           HN       HIS  98   0.254   5.715   5.715
  739    HA   HIS  98           HA       HIS  98  -0.147   6.002   6.002
  740   1HB   HIS  98           HB1      HIS  98  -1.758   5.637   5.637
  741   2HB   HIS  98           HB2      HIS  98  -2.139   4.285   4.285
  742    HD2  HIS  98           HD2      HIS  98  -4.173   4.891   4.891
  743    HE1  HIS  98           HE1      HIS  98  -3.404   9.039   9.039
  744    HE2  HIS  98           HE2      HIS  98  -4.834   7.109   7.109
  745    H    GLY  99           HN       GLY  99   0.645   3.217   3.217
  746   1HA   GLY  99           HA2      GLY  99   1.906   1.457   1.457
  747   2HA   GLY  99           HA1      GLY  99   0.717   1.594   1.594
  748    H    ALA 100           HN       ALA 100   0.756   1.060   1.060
  749    HA   ALA 100           HA       ALA 100  -1.479  -0.801  -0.801
  750   1HB   ALA 100           HB1      ALA 100  -0.319   0.713   0.713
  751   2HB   ALA 100           HB3      ALA 100  -1.274  -0.737  -0.737
  752   3HB   ALA 100           HB2      ALA 100  -1.989   0.623   0.623
  753    H    ASP 101           HN       ASP 101   0.880  -1.759  -1.759
  754    HA   ASP 101           HA       ASP 101   2.320  -3.523  -3.523
  755   1HB   ASP 101           HB2      ASP 101   1.250  -5.215  -5.215
  756   2HB   ASP 101           HB1      ASP 101  -0.126  -4.367  -4.367
  757    H    VAL 102           HN       VAL 102   3.565  -1.670  -1.670
  758    HA   VAL 102           HA       VAL 102   4.090  -2.071  -2.071
  759    HB   VAL 102           HB       VAL 102   6.130  -0.628  -0.628
  760   1HG1  VAL 102          HG13      VAL 102   3.443   0.000   0.000
  761   2HG1  VAL 102          HG12      VAL 102   3.990   1.013   1.013
  762   3HG1  VAL 102          HG11      VAL 102   4.811   1.092   1.092
  763   1HG2  VAL 102          HG21      VAL 102   6.243  -1.309  -1.309
  764   2HG2  VAL 102          HG23      VAL 102   6.351   0.426   0.426
  765   3HG2  VAL 102          HG22      VAL 102   4.841  -0.277  -0.277
  766    H    ASN 103           HN       ASN 103   5.003  -3.801  -3.801
  767    HA   ASN 103           HA       ASN 103   7.443  -4.820  -4.820
  768   1HB   ASN 103           HB2      ASN 103   6.553  -4.542  -4.542
  769   2HB   ASN 103           HB1      ASN 103   7.482  -5.989  -5.989
  770   1HD2  ASN 103          HD22      ASN 103   9.710  -3.173  -3.173
  771   2HD2  ASN 103          HD21      ASN 103   8.297  -3.893  -3.893
  772    H    ALA 104           HN       ALA 104   5.039  -5.603  -5.603
  773    HA   ALA 104           HA       ALA 104   4.630  -8.341  -8.341
  774   1HB   ALA 104           HB3      ALA 104   2.897  -6.377  -6.377
  775   2HB   ALA 104           HB2      ALA 104   2.684  -8.066  -8.066
  776   3HB   ALA 104           HB1      ALA 104   2.504  -7.581  -7.581
  777    H    LEU 105           HN       LEU 105   4.147  -9.963  -9.963
  778    HA   LEU 105           HA       LEU 105   5.601  -9.479  -9.479
  779   1HB   LEU 105           HB2      LEU 105   6.251 -11.828 -11.828
  780   2HB   LEU 105           HB1      LEU 105   6.985 -11.450 -11.450
  781    HG   LEU 105           HG       LEU 105   7.252  -9.811  -9.811
  782   1HD1  LEU 105          HD13      LEU 105   8.497 -12.158 -12.158
  783   2HD1  LEU 105          HD12      LEU 105   9.620 -10.994 -10.994
  784   3HD1  LEU 105          HD11      LEU 105   9.175 -10.874 -10.874
  785   1HD2  LEU 105          HD21      LEU 105   7.509  -9.011  -9.011
  786   2HD2  LEU 105          HD23      LEU 105   8.051  -8.147  -8.147
  787   3HD2  LEU 105          HD22      LEU 105   9.155  -9.234  -9.234
  788    H    ASP 106           HN       ASP 106   4.719 -10.526 -10.526
  789    HA   ASP 106           HA       ASP 106   2.297 -12.013 -12.013
  790   1HB   ASP 106           HB2      ASP 106   3.650 -11.128 -11.128
  791   2HB   ASP 106           HB1      ASP 106   2.279 -10.355 -10.355
  792    H    SER 107           HN       SER 107   4.349 -13.452 -13.452
  793    HA   SER 107           HA       SER 107   4.965 -15.662 -15.662
  794   1HB   SER 107           HB1      SER 107   2.926 -15.793 -15.793
  795   2HB   SER 107           HB2      SER 107   4.263 -16.225 -16.225
  796    HG   SER 107           HG       SER 107   3.177 -17.984 -17.984
  797    H    THR 108           HN       THR 108   5.500 -14.253 -14.253
  798    HA   THR 108           HA       THR 108   7.833 -15.521 -15.521
  799    HB   THR 108           HB       THR 108   8.389 -13.287 -13.287
  800    HG1  THR 108           HG1      THR 108   6.845 -11.755 -11.755
  801   1HG2  THR 108          HG21      THR 108   6.058 -15.042 -15.042
  802   2HG2  THR 108          HG23      THR 108   6.167 -13.539 -13.539
  803   3HG2  THR 108          HG22      THR 108   7.473 -14.721 -14.721
  804    H    GLY 109           HN       GLY 109   7.413 -12.771 -12.771
  805   1HA   GLY 109           HA2      GLY 109   8.887 -12.455 -12.455
  806   2HA   GLY 109           HA1      GLY 109  10.175 -13.190 -13.190
  807    H    SER 110           HN       SER 110   8.587 -11.189 -11.189
  808    HA   SER 110           HA       SER 110  10.693  -9.232  -9.232
  809   1HB   SER 110           HB1      SER 110   9.603  -8.278  -8.278
  810   2HB   SER 110           HB2      SER 110   9.794 -10.024 -10.024
  811    HG   SER 110           HG       SER 110   7.649  -8.944  -8.944
  812    H    LEU 111           HN       LEU 111  10.568  -7.903  -7.903
  813    HA   LEU 111           HA       LEU 111   8.262  -6.950  -6.950
  814   1HB   LEU 111           HB2      LEU 111  11.097  -6.016  -6.016
  815   2HB   LEU 111           HB1      LEU 111   9.892  -4.976  -4.976
  816    HG   LEU 111           HG       LEU 111  10.093  -7.819  -7.819
  817   1HD1  LEU 111          HD13      LEU 111  12.010  -5.606  -5.606
  818   2HD1  LEU 111          HD12      LEU 111  11.696  -6.926  -6.926
  819   3HD1  LEU 111          HD11      LEU 111  12.359  -7.268  -7.268
  820   1HD2  LEU 111          HD23      LEU 111   8.291  -6.190  -6.190
  821   2HD2  LEU 111          HD22      LEU 111   9.185  -6.990  -6.990
  822   3HD2  LEU 111          HD21      LEU 111   9.559  -5.321  -5.321
  823    HA   PRO 112           HA       PRO 112   6.316  -3.968  -3.968
  824   1HB   PRO 112           HB2      PRO 112   6.589  -2.134  -2.134
  825   2HB   PRO 112           HB1      PRO 112   5.163  -2.504  -2.504
  826   1HG   PRO 112           HG1      PRO 112   5.462  -3.588  -3.588
  827   2HG   PRO 112           HG2      PRO 112   4.798  -4.537  -4.537
  828   1HD   PRO 112           HD2      PRO 112   7.502  -4.651  -4.651
  829   2HD   PRO 112           HD1      PRO 112   6.531  -5.951  -5.951
  830    H    ILE 113           HN       ILE 113   9.189  -3.075  -3.075
  831    HA   ILE 113           HA       ILE 113   9.742  -0.703  -0.703
  832    HB   ILE 113           HB       ILE 113  10.621  -1.072  -1.072
  833   1HG1  ILE 113          HG11      ILE 113  11.738   0.352   0.352
  834   2HG1  ILE 113          HG12      ILE 113  12.551   0.141   0.141
  835   1HG2  ILE 113          HG21      ILE 113  11.753  -3.439  -3.439
  836   2HG2  ILE 113          HG23      ILE 113  12.905  -2.543  -2.543
  837   3HG2  ILE 113          HG22      ILE 113  11.400  -3.127  -3.127
  838   1HD1  ILE 113          HD11      ILE 113  13.139  -1.838  -1.838
  839   2HD1  ILE 113          HD13      ILE 113  13.783  -0.209  -0.209
  840   3HD1  ILE 113          HD12      ILE 113  14.188  -1.149  -1.149
  841    H    HIS 114           HN       HIS 114  10.498  -4.088  -4.088
  842    HA   HIS 114           HA       HIS 114  12.659  -3.862  -3.862
  843   1HB   HIS 114           HB2      HIS 114  10.639  -6.015  -6.015
  844   2HB   HIS 114           HB1      HIS 114  11.794  -6.192  -6.192
  845    HD2  HIS 114           HD2      HIS 114  14.335  -6.874  -6.874
  846    HE1  HIS 114           HE1      HIS 114  13.655  -6.806  -6.806
  847    HE2  HIS 114           HE2      HIS 114  15.364  -7.234  -7.234
  848    H    LEU 115           HN       LEU 115   9.208  -3.629  -3.629
  849    HA   LEU 115           HA       LEU 115   9.162  -3.937  -3.937
  850   1HB   LEU 115           HB1      LEU 115   7.186  -2.141  -2.141
  851   2HB   LEU 115           HB2      LEU 115   6.940  -3.429  -3.429
  852    HG   LEU 115           HG       LEU 115   7.234  -3.638  -3.638
  853   1HD1  LEU 115          HD11      LEU 115   5.112  -3.954  -3.954
  854   2HD1  LEU 115          HD13      LEU 115   5.218  -5.282  -5.282
  855   3HD1  LEU 115          HD12      LEU 115   5.012  -3.627  -3.627
  856   1HD2  LEU 115          HD23      LEU 115   8.134  -5.534  -5.534
  857   2HD2  LEU 115          HD22      LEU 115   8.436  -5.496  -5.496
  858   3HD2  LEU 115          HD21      LEU 115   6.951  -6.217  -6.217
  859    H    ALA 116           HN       ALA 116   9.010  -0.981  -0.981
  860    HA   ALA 116           HA       ALA 116   9.133   0.872   0.872
  861   1HB   ALA 116           HB2      ALA 116   8.885   1.149   1.149
  862   2HB   ALA 116           HB1      ALA 116  10.624   1.429   1.429
  863   3HB   ALA 116           HB3      ALA 116   9.518   2.461   2.461
  864    H    ILE 117           HN       ILE 117  11.706  -0.917  -0.917
  865    HA   ILE 117           HA       ILE 117  13.919   0.425   0.425
  866    HB   ILE 117           HB       ILE 117  13.574  -2.466  -2.466
  867   1HG1  ILE 117          HG11      ILE 117  14.964  -0.150  -0.150
  868   2HG1  ILE 117          HG12      ILE 117  13.376  -0.779  -0.779
  869   1HG2  ILE 117          HG21      ILE 117  15.694  -1.271  -1.271
  870   2HG2  ILE 117          HG23      ILE 117  16.294  -1.759  -1.759
  871   3HG2  ILE 117          HG22      ILE 117  15.513  -2.941  -2.941
  872   1HD1  ILE 117          HD13      ILE 117  15.836  -2.490  -2.490
  873   2HD1  ILE 117          HD12      ILE 117  15.330  -1.515  -1.515
  874   3HD1  ILE 117          HD11      ILE 117  14.275  -2.787  -2.787
  875    H    ARG 118           HN       ARG 118  12.013  -2.275  -2.275
  876    HA   ARG 118           HA       ARG 118  13.597  -2.717  -2.717
  877   1HB   ARG 118           HB1      ARG 118  10.639  -3.212  -3.212
  878   2HB   ARG 118           HB2      ARG 118  11.916  -4.169  -4.169
  879   1HG   ARG 118           HG1      ARG 118  12.583  -4.351  -4.351
  880   2HG   ARG 118           HG2      ARG 118  10.822  -4.255  -4.255
  881   1HD   ARG 118           HD1      ARG 118  11.645  -6.576  -6.576
  882   2HD   ARG 118           HD2      ARG 118  10.593  -6.129  -6.129
  883    HE   ARG 118           HE       ARG 118  13.402  -5.778  -5.778
  884   1HH1  ARG 118          HH21      ARG 118  10.706  -7.978  -7.978
  885   2HH1  ARG 118          HH22      ARG 118  11.397  -8.986  -8.986
  886   1HH2  ARG 118          HH11      ARG 118  14.327  -7.100  -7.100
  887   2HH2  ARG 118          HH12      ARG 118  13.458  -8.487  -8.487
  888    H    GLU 119           HN       GLU 119  11.512  -0.194  -0.194
  889    HA   GLU 119           HA       GLU 119  10.943   0.559   0.559
  890   1HB   GLU 119           HB1      GLU 119  10.093   1.769   1.769
  891   2HB   GLU 119           HB2      GLU 119   9.644   2.416   2.416
  892   1HG   GLU 119           HG2      GLU 119   7.813   1.159   1.159
  893   2HG   GLU 119           HG1      GLU 119   8.854  -0.142  -0.142
  894    H    GLY 120           HN       GLY 120  12.363   2.092   2.092
  895   1HA   GLY 120           HA1      GLY 120  14.417   3.266   3.266
  896   2HA   GLY 120           HA2      GLY 120  14.335   3.385   3.385
  897    H    HIS 121           HN       HIS 121  11.539   4.121   4.121
  898    HA   HIS 121           HA       HIS 121  11.137   6.637   6.637
  899   1HB   HIS 121           HB2      HIS 121  10.180   5.679   5.679
  900   2HB   HIS 121           HB1      HIS 121   9.457   6.955   6.955
  901    HD2  HIS 121           HD2      HIS 121   8.802   3.416   3.416
  902    HE1  HIS 121           HE1      HIS 121   7.366   3.986   3.986
  903    HE2  HIS 121           HE2      HIS 121   7.213   2.549   2.549
  904    H    SER 122           HN       SER 122  10.620   8.253   8.253
  905    HA   SER 122           HA       SER 122  13.377   9.096   9.096
  906   1HB   SER 122           HB2      SER 122  10.757  10.594  10.594
  907   2HB   SER 122           HB1      SER 122  12.273  11.270  11.270
  908    HG   SER 122           HG       SER 122  12.401  11.900  11.900
  909    H    SER 123           HN       SER 123  10.741  10.179  10.179
  910    HA   SER 123           HA       SER 123  12.114   9.399   9.399
  911   1HB   SER 123           HB1      SER 123  10.838  11.432  11.432
  912   2HB   SER 123           HB2      SER 123   9.373  10.587  10.587
  913    HG   SER 123           HG       SER 123   9.382  10.962  10.962
  914    H    VAL 124           HN       VAL 124   9.820   7.869   7.869
  915    HA   VAL 124           HA       VAL 124   8.410   6.278   6.278
  916    HB   VAL 124           HB       VAL 124   9.125   4.833   4.833
  917   1HG1  VAL 124          HG21      VAL 124   6.640   5.721   5.721
  918   2HG1  VAL 124          HG23      VAL 124   6.568   4.996   4.996
  919   3HG1  VAL 124          HG22      VAL 124   7.249   4.085   4.085
  920   1HG2  VAL 124          HG12      VAL 124   7.838   7.548   7.548
  921   2HG2  VAL 124          HG11      VAL 124   9.400   7.064   7.064
  922   3HG2  VAL 124          HG13      VAL 124   7.920   6.329   6.329
  923    H    VAL 125           HN       VAL 125  11.107   5.065   5.065
  924    HA   VAL 125           HA       VAL 125  11.551   2.736   2.736
  925    HB   VAL 125           HB       VAL 125  13.756   4.350   4.350
  926   1HG1  VAL 125          HG12      VAL 125  13.391   1.485   1.485
  927   2HG1  VAL 125          HG11      VAL 125  14.445   1.909   1.909
  928   3HG1  VAL 125          HG13      VAL 125  14.773   2.548   2.548
  929   1HG2  VAL 125          HG23      VAL 125  11.386   3.225   3.225
  930   2HG2  VAL 125          HG22      VAL 125  12.654   4.206   4.206
  931   3HG2  VAL 125          HG21      VAL 125  12.839   2.455   2.455
  932    H    SER 126           HN       SER 126  13.049   5.918   5.918
  933    HA   SER 126           HA       SER 126  14.697   5.116   5.116
  934   1HB   SER 126           HB1      SER 126  14.680   7.653   7.653
  935   2HB   SER 126           HB2      SER 126  15.351   7.110   7.110
  936    HG   SER 126           HG       SER 126  13.604   8.907   8.907
  937    H    PHE 127           HN       PHE 127  11.405   6.228   6.228
  938    HA   PHE 127           HA       PHE 127  11.089   6.714   6.714
  939   1HB   PHE 127           HB1      PHE 127   9.607   7.828   7.828
  940   2HB   PHE 127           HB2      PHE 127   9.062   6.288   6.288
  941    HD1  PHE 127           HD2      PHE 127   9.076   8.347   8.347
  942    HD2  PHE 127           HD1      PHE 127   7.235   5.169   5.169
  943    HE1  PHE 127           HE2      PHE 127   7.238   8.299   8.299
  944    HE2  PHE 127           HE1      PHE 127   5.393   5.115   5.115
  945    HZ   PHE 127           HZ       PHE 127   5.404   6.673   6.673
  946    H    LEU 128           HN       LEU 128  10.301   4.020   4.020
  947    HA   LEU 128           HA       LEU 128   9.014   2.422   2.422
  948   1HB   LEU 128           HB2      LEU 128   9.996   2.119   2.119
  949   2HB   LEU 128           HB1      LEU 128  10.097   0.643   0.643
  950    HG   LEU 128           HG       LEU 128   7.953   1.188   1.188
  951   1HD1  LEU 128          HD12      LEU 128   8.494  -0.634  -0.634
  952   2HD1  LEU 128          HD11      LEU 128   7.336   0.299   0.299
  953   3HD1  LEU 128          HD13      LEU 128   6.852  -0.397  -0.397
  954   1HD2  LEU 128          HD21      LEU 128   7.912   3.344   3.344
  955   2HD2  LEU 128          HD23      LEU 128   6.591   2.795   2.795
  956   3HD2  LEU 128          HD22      LEU 128   6.695   2.238   2.238
  957    H    ALA 129           HN       ALA 129  12.244   3.300   3.300
  958    HA   ALA 129           HA       ALA 129  13.533   0.924   0.924
  959   1HB   ALA 129           HB2      ALA 129  14.270   3.734   3.734
  960   2HB   ALA 129           HB1      ALA 129  15.195   2.899   2.899
  961   3HB   ALA 129           HB3      ALA 129  15.153   2.261   2.261
  962    HA   PRO 130           HA       PRO 130  13.539   2.925   2.925
  963   1HB   PRO 130           HB2      PRO 130  11.755   4.990   4.990
  964   2HB   PRO 130           HB1      PRO 130  13.471   5.208   5.208
  965   1HG   PRO 130           HG2      PRO 130  11.126   5.269   5.269
  966   2HG   PRO 130           HG1      PRO 130  12.544   6.332   6.332
  967   1HD   PRO 130           HD2      PRO 130  12.339   4.350   4.350
  968   2HD   PRO 130           HD1      PRO 130  13.899   4.779   4.779
  969    H    GLU 131           HN       GLU 131  10.354   3.472   3.472
  970    HA   GLU 131           HA       GLU 131   8.753   2.572   2.572
  971   1HB   GLU 131           HB1      GLU 131   8.260   2.206   2.206
  972   2HB   GLU 131           HB2      GLU 131   7.037   2.148   2.148
  973   1HG   GLU 131           HG2      GLU 131   6.936   4.384   4.384
  974   2HG   GLU 131           HG1      GLU 131   8.664   4.597   4.597
  975    H    SER 132           HN       SER 132  10.729   0.750   0.750
  976    HA   SER 132           HA       SER 132   9.563  -1.760  -1.760
  977   1HB   SER 132           HB2      SER 132  11.464  -1.572  -1.572
  978   2HB   SER 132           HB1      SER 132  10.292  -2.838  -2.838
  979    HG   SER 132           HG       SER 132   9.502  -1.543  -1.543
  980    H    ASP 133           HN       ASP 133  10.781  -3.197  -3.197
  981    HA   ASP 133           HA       ASP 133  12.815  -2.559  -2.559
  982   1HB   ASP 133           HB2      ASP 133  13.531  -4.942  -4.942
  983   2HB   ASP 133           HB1      ASP 133  12.528  -5.198  -5.198
  984    H    LEU 134           HN       LEU 134  14.493  -1.307  -1.307
  985    HA   LEU 134           HA       LEU 134  15.845  -1.388  -1.388
  986   1HB   LEU 134           HB1      LEU 134  16.347  -0.203  -0.203
  987   2HB   LEU 134           HB2      LEU 134  17.695  -0.295  -0.295
  988    HG   LEU 134           HG       LEU 134  15.093   1.168   1.168
  989   1HD1  LEU 134          HD12      LEU 134  17.860   1.933   1.933
  990   2HD1  LEU 134          HD11      LEU 134  16.998   2.985   2.985
  991   3HD1  LEU 134          HD13      LEU 134  16.321   2.654   2.654
  992   1HD2  LEU 134          HD21      LEU 134  17.355   0.649   0.649
  993   2HD2  LEU 134          HD23      LEU 134  15.658   0.211   0.211
  994   3HD2  LEU 134          HD22      LEU 134  16.140   1.906   1.906
  995    H    HIS 135           HN       HIS 135  17.526  -2.550  -2.550
  996    HA   HIS 135           HA       HIS 135  19.391  -3.911  -3.911
  997   1HB   HIS 135           HB1      HIS 135  19.481  -3.093  -3.093
  998   2HB   HIS 135           HB2      HIS 135  19.015  -4.769  -4.769
  999    HD2  HIS 135           HD2      HIS 135  21.427  -4.193  -4.193
 1000    HE1  HIS 135           HE1      HIS 135  23.655  -5.658  -5.658
 1001    HE2  HIS 135           HE2      HIS 135  23.757  -4.943  -4.943
 1002    H    HIS 136           HN       HIS 136  16.350  -4.568  -4.568
 1003    HA   HIS 136           HA       HIS 136  16.071  -7.250  -7.250
 1004   1HB   HIS 136           HB2      HIS 136  14.086  -7.244  -7.244
 1005   2HB   HIS 136           HB1      HIS 136  14.093  -5.957  -5.957
 1006    HD2  HIS 136           HD2      HIS 136  15.143  -6.275  -6.275
 1007    HE1  HIS 136           HE1      HIS 136  13.582  -2.421  -2.421
 1008    HE2  HIS 136           HE2      HIS 136  14.672  -3.910  -3.910
 1009    H    ARG 137           HN       ARG 137  15.519  -9.040  -9.040
 1010    HA   ARG 137           HA       ARG 137  17.419  -8.991  -8.991
 1011   1HB   ARG 137           HB1      ARG 137  16.867 -11.210 -11.210
 1012   2HB   ARG 137           HB2      ARG 137  17.676 -11.483 -11.483
 1013   1HG   ARG 137           HG1      ARG 137  19.312  -9.660  -9.660
 1014   2HG   ARG 137           HG2      ARG 137  18.630  -9.934  -9.934
 1015   1HD   ARG 137           HD2      ARG 137  19.415 -12.120 -12.120
 1016   2HD   ARG 137           HD1      ARG 137  19.606 -12.233 -12.233
 1017    HE   ARG 137           HE       ARG 137  21.324 -10.263 -10.263
 1018   1HH1  ARG 137          HH11      ARG 137  20.945 -13.681 -13.681
 1019   2HH1  ARG 137          HH12      ARG 137  22.646 -14.007 -14.007
 1020   1HH2  ARG 137          HH21      ARG 137  23.566 -10.680 -10.680
 1021   2HH2  ARG 137          HH22      ARG 137  24.136 -12.299 -12.299
 1022    H    ASP 138           HN       ASP 138  16.928 -10.690 -10.690
 1023    HA   ASP 138           HA       ASP 138  14.084 -11.354 -11.354
 1024   1HB   ASP 138           HB2      ASP 138  15.447  -9.335  -9.335
 1025   2HB   ASP 138           HB1      ASP 138  14.779 -10.604 -10.604
 1026    H    ALA 139           HN       ALA 139  13.622 -13.136 -13.136
 1027    HA   ALA 139           HA       ALA 139  15.290 -15.266 -15.266
 1028   1HB   ALA 139           HB3      ALA 139  12.811 -14.808 -14.808
 1029   2HB   ALA 139           HB2      ALA 139  13.746 -15.135 -15.135
 1030   3HB   ALA 139           HB1      ALA 139  13.700 -16.323 -16.323
 1031    H    SER 140           HN       SER 140  15.377 -12.574 -12.574
 1032    HA   SER 140           HA       SER 140  16.958 -13.605 -13.605
 1033   1HB   SER 140           HB2      SER 140  15.891 -11.101 -11.101
 1034   2HB   SER 140           HB1      SER 140  17.622 -10.858 -10.858
 1035    HG   SER 140           HG       SER 140  16.835 -12.374 -12.374
 1036    H    GLY 141           HN       GLY 141  17.782 -12.342 -12.342
 1037   1HA   GLY 141           HA2      GLY 141  19.725 -12.936 -12.936
 1038   2HA   GLY 141           HA1      GLY 141  20.485 -13.408 -13.408
 1039    H    LEU 142           HN       LEU 142  18.896 -10.369 -10.369
 1040    HA   LEU 142           HA       LEU 142  21.430  -8.974  -8.974
 1041   1HB   LEU 142           HB2      LEU 142  20.290  -7.280  -7.280
 1042   2HB   LEU 142           HB1      LEU 142  21.355  -8.575  -8.575
 1043    HG   LEU 142           HG       LEU 142  18.857  -9.772  -9.772
 1044   1HD1  LEU 142          HD13      LEU 142  18.556  -6.900  -6.900
 1045   2HD1  LEU 142          HD12      LEU 142  17.926  -7.819  -7.819
 1046   3HD1  LEU 142          HD11      LEU 142  17.336  -8.146  -8.146
 1047   1HD2  LEU 142          HD22      LEU 142  20.716  -8.697  -8.697
 1048   2HD2  LEU 142          HD21      LEU 142  20.195 -10.355 -10.355
 1049   3HD2  LEU 142          HD23      LEU 142  19.116  -9.226  -9.226
 1050    H    THR 143           HN       THR 143  21.206  -6.744  -6.744
 1051    HA   THR 143           HA       THR 143  18.733  -6.342  -6.342
 1052    HB   THR 143           HB       THR 143  19.959  -5.511  -5.511
 1053    HG1  THR 143           HG1      THR 143  21.477  -4.017  -4.017
 1054   1HG2  THR 143          HG23      THR 143  21.181  -7.669  -7.669
 1055   2HG2  THR 143          HG22      THR 143  22.498  -6.505  -6.505
 1056   3HG2  THR 143          HG21      THR 143  21.753  -6.798  -6.798
 1057    HA   PRO 144           HA       PRO 144  17.355  -2.558  -2.558
 1058   1HB   PRO 144           HB2      PRO 144  18.621  -1.114  -1.114
 1059   2HB   PRO 144           HB1      PRO 144  17.013  -0.910  -0.910
 1060   1HG   PRO 144           HG2      PRO 144  17.373  -2.284  -2.284
 1061   2HG   PRO 144           HG1      PRO 144  16.161  -2.770  -2.770
 1062   1HD   PRO 144           HD1      PRO 144  18.734  -4.045  -4.045
 1063   2HD   PRO 144           HD2      PRO 144  17.285  -4.753  -4.753
 1064    H    LEU 145           HN       LEU 145  20.533  -2.038  -2.038
 1065    HA   LEU 145           HA       LEU 145  21.414  -0.070  -0.070
 1066   1HB   LEU 145           HB2      LEU 145  22.373  -1.154  -1.154
 1067   2HB   LEU 145           HB1      LEU 145  23.502  -1.795  -1.795
 1068    HG   LEU 145           HG       LEU 145  22.875   1.145   1.145
 1069   1HD1  LEU 145          HD13      LEU 145  24.087  -0.335  -0.335
 1070   2HD1  LEU 145          HD12      LEU 145  25.420   0.404   0.404
 1071   3HD1  LEU 145          HD11      LEU 145  24.139   1.414   1.414
 1072   1HD2  LEU 145          HD23      LEU 145  24.279  -0.381  -0.381
 1073   2HD2  LEU 145          HD22      LEU 145  24.358   1.371   1.371
 1074   3HD2  LEU 145          HD21      LEU 145  25.527   0.336   0.336
 1075    H    GLU 146           HN       GLU 146  21.877  -3.583  -3.583
 1076    HA   GLU 146           HA       GLU 146  23.627  -3.822  -3.822
 1077   1HB   GLU 146           HB1      GLU 146  22.368  -5.572  -5.572
 1078   2HB   GLU 146           HB2      GLU 146  21.560  -5.909  -5.909
 1079   1HG   GLU 146           HG1      GLU 146  23.267  -7.345  -7.345
 1080   2HG   GLU 146           HG2      GLU 146  24.098  -5.906  -5.906
 1081    H    LEU 147           HN       LEU 147  20.101  -4.382  -4.382
 1082    HA   LEU 147           HA       LEU 147  19.865  -4.498  -4.498
 1083   1HB   LEU 147           HB2      LEU 147  18.122  -4.475  -4.475
 1084   2HB   LEU 147           HB1      LEU 147  17.608  -3.125  -3.125
 1085    HG   LEU 147           HG       LEU 147  17.805  -6.016  -6.016
 1086   1HD1  LEU 147          HD12      LEU 147  15.709  -4.389  -4.389
 1087   2HD1  LEU 147          HD11      LEU 147  15.282  -4.926  -4.926
 1088   3HD1  LEU 147          HD13      LEU 147  15.706  -6.110  -6.110
 1089   1HD2  LEU 147          HD22      LEU 147  18.535  -4.498  -4.498
 1090   2HD2  LEU 147          HD21      LEU 147  17.019  -5.318  -5.318
 1091   3HD2  LEU 147          HD23      LEU 147  17.005  -3.631  -3.631
 1092    H    ALA 148           HN       ALA 148  19.879  -1.683  -1.683
 1093    HA   ALA 148           HA       ALA 148  19.236   0.206   0.206
 1094   1HB   ALA 148           HB2      ALA 148  20.619   0.591   0.591
 1095   2HB   ALA 148           HB1      ALA 148  20.004   1.887   1.887
 1096   3HB   ALA 148           HB3      ALA 148  18.888   0.723   0.723
 1097    H    ARG 149           HN       ARG 149  22.164  -1.338  -1.338
 1098    HA   ARG 149           HA       ARG 149  23.989   0.506   0.506
 1099   1HB   ARG 149           HB1      ARG 149  24.521  -1.199  -1.199
 1100   2HB   ARG 149           HB2      ARG 149  24.477  -2.424  -2.424
 1101   1HG   ARG 149           HG1      ARG 149  26.254  -1.115  -1.115
 1102   2HG   ARG 149           HG2      ARG 149  26.386  -0.118  -0.118
 1103   1HD   ARG 149           HD2      ARG 149  26.628  -2.453  -2.453
 1104   2HD   ARG 149           HD1      ARG 149  27.133  -2.971  -2.971
 1105    HE   ARG 149           HE       ARG 149  28.473  -0.617  -0.617
 1106   1HH1  ARG 149          HH11      ARG 149  28.504  -4.084  -4.084
 1107   2HH1  ARG 149          HH12      ARG 149  30.213  -4.222  -4.222
 1108   1HH2  ARG 149          HH21      ARG 149  30.726  -0.784  -0.784
 1109   2HH2  ARG 149          HH22      ARG 149  31.477  -2.345  -2.345
 1110    H    GLN 150           HN       GLN 150  22.853  -2.715  -2.715
 1111    HA   GLN 150           HA       GLN 150  24.114  -2.732  -2.732
 1112   1HB   GLN 150           HB1      GLN 150  22.058  -4.306  -4.306
 1113   2HB   GLN 150           HB2      GLN 150  23.354  -4.826  -4.826
 1114   1HG   GLN 150           HG2      GLN 150  21.254  -3.408  -3.408
 1115   2HG   GLN 150           HG1      GLN 150  20.663  -4.841  -4.841
 1116   1HE2  GLN 150          HE22      GLN 150  21.610  -6.784  -6.784
 1117   2HE2  GLN 150          HE21      GLN 150  20.399  -6.297  -6.297
 1118    H    ARG 151           HN       ARG 151  20.629  -2.283  -2.283
 1119    HA   ARG 151           HA       ARG 151  20.246  -1.024  -1.024
 1120   1HB   ARG 151           HB1      ARG 151  18.562  -2.394  -2.394
 1121   2HB   ARG 151           HB2      ARG 151  18.291  -0.865  -0.865
 1122   1HG   ARG 151           HG2      ARG 151  17.040  -0.072  -0.072
 1123   2HG   ARG 151           HG1      ARG 151  18.169  -0.636  -0.636
 1124   1HD   ARG 151           HD1      ARG 151  17.258  -2.937  -2.937
 1125   2HD   ARG 151           HD2      ARG 151  16.033  -2.243  -2.243
 1126    HE   ARG 151           HE       ARG 151  16.104  -0.984  -0.984
 1127   1HH1  ARG 151          HH21      ARG 151  14.905  -3.734  -3.734
 1128   2HH1  ARG 151          HH22      ARG 151  13.560  -3.993  -3.993
 1129   1HH2  ARG 151          HH11      ARG 151  14.335  -1.313  -1.313
 1130   2HH2  ARG 151          HH12      ARG 151  13.234  -2.616  -2.616
 1131    H    GLY 152           HN       GLY 152  22.158   0.445   0.445
 1132   1HA   GLY 152           HA1      GLY 152  21.596   2.553   2.553
 1133   2HA   GLY 152           HA2      GLY 152  22.890   2.528   2.528
 1134    H    ALA 153           HN       ALA 153  19.342   2.560   2.560
 1135    HA   ALA 153           HA       ALA 153  18.944   3.927   3.927
 1136   1HB   ALA 153           HB2      ALA 153  17.501   3.961   3.961
 1137   2HB   ALA 153           HB1      ALA 153  17.032   5.137   5.137
 1138   3HB   ALA 153           HB3      ALA 153  16.958   3.413   3.413
 1139    H    GLN 154           HN       GLN 154  20.180   5.211   5.211
 1140    HA   GLN 154           HA       GLN 154  21.598   7.296   7.296
 1141   1HB   GLN 154           HB2      GLN 154  20.003   9.227   9.227
 1142   2HB   GLN 154           HB1      GLN 154  19.832   8.525   8.525
 1143   1HG   GLN 154           HG1      GLN 154  17.761   8.932   8.932
 1144   2HG   GLN 154           HG2      GLN 154  17.834   7.583   7.583
 1145   1HE2  GLN 154          HE22      GLN 154  17.865   6.959   6.959
 1146   2HE2  GLN 154          HE21      GLN 154  18.045   8.538   8.538
 1147    H    ASN 155           HN       ASN 155  19.843   8.776   8.776
 1148    HA   ASN 155           HA       ASN 155  21.942   8.247   8.247
 1149   1HB   ASN 155           HB1      ASN 155  20.332   9.630   9.630
 1150   2HB   ASN 155           HB2      ASN 155  21.185  10.423  10.423
 1151   1HD2  ASN 155          HD22      ASN 155  18.328  11.368  11.368
 1152   2HD2  ASN 155          HD21      ASN 155  20.053  11.364  11.364
 1153    H    LEU 156           HN       LEU 156  19.780   6.148   6.148
 1154    HA   LEU 156           HA       LEU 156  18.179   5.404   5.404
 1155   1HB   LEU 156           HB2      LEU 156  19.240   4.165   4.165
 1156   2HB   LEU 156           HB1      LEU 156  19.180   3.008   3.008
 1157    HG   LEU 156           HG       LEU 156  16.877   4.573   4.573
 1158   1HD1  LEU 156          HD11      LEU 156  17.850   2.418   2.418
 1159   2HD1  LEU 156          HD13      LEU 156  17.055   1.604   1.604
 1160   3HD1  LEU 156          HD12      LEU 156  16.106   2.571   2.571
 1161   1HD2  LEU 156          HD23      LEU 156  17.172   3.849   3.849
 1162   2HD2  LEU 156          HD22      LEU 156  15.664   4.245   4.245
 1163   3HD2  LEU 156          HD21      LEU 156  16.183   2.565   2.565
 1164    H    MET 157           HN       MET 157  21.324   3.862   3.862
 1165    HA   MET 157           HA       MET 157  21.576   2.537   2.537
 1166   1HB   MET 157           HB2      MET 157  23.736   2.067   2.067
 1167   2HB   MET 157           HB1      MET 157  23.027   2.507   2.507
 1168   1HG   MET 157           HG2      MET 157  24.030   4.646   4.646
 1169   2HG   MET 157           HG1      MET 157  24.515   4.460   4.460
 1170   1HE   MET 157           HE2      MET 157  26.076   2.861   2.861
 1171   2HE   MET 157           HE1      MET 157  26.008   1.357   1.357
 1172   3HE   MET 157           HE3      MET 157  27.512   2.274   2.274
 1173    H    ASP 158           HN       ASP 158  21.841   5.876   5.876
 1174    HA   ASP 158           HA       ASP 158  23.479   6.607   6.607
 1175   1HB   ASP 158           HB1      ASP 158  22.363   7.906   7.906
 1176   2HB   ASP 158           HB2      ASP 158  21.791   8.771   8.771
 1177    H    ILE 159           HN       ILE 159  20.021   7.290   7.290
 1178    HA   ILE 159           HA       ILE 159  19.403   8.159   8.159
 1179    HB   ILE 159           HB       ILE 159  17.326   6.516   6.516
 1180   1HG1  ILE 159          HG11      ILE 159  17.099   8.883   8.883
 1181   2HG1  ILE 159          HG12      ILE 159  18.839   8.639   8.639
 1182   1HG2  ILE 159          HG22      ILE 159  17.541   9.089   9.089
 1183   2HG2  ILE 159          HG21      ILE 159  16.148   8.793   8.793
 1184   3HG2  ILE 159          HG23      ILE 159  16.492   7.704   7.704
 1185   1HD1  ILE 159          HD11      ILE 159  18.299   6.281   6.281
 1186   2HD1  ILE 159          HD13      ILE 159  16.691   6.923   6.923
 1187   3HD1  ILE 159          HD12      ILE 159  18.104   7.631   7.631
 1188    H    LEU 160           HN       LEU 160  19.899   4.929   4.929
 1189    HA   LEU 160           HA       LEU 160  18.643   3.589   3.589
 1190   1HB   LEU 160           HB2      LEU 160  20.606   2.700   2.700
 1191   2HB   LEU 160           HB1      LEU 160  19.976   1.623   1.623
 1192    HG   LEU 160           HG       LEU 160  18.884   1.930   1.930
 1193   1HD1  LEU 160          HD12      LEU 160  18.117   0.800   0.800
 1194   2HD1  LEU 160          HD11      LEU 160  16.700   1.346   1.346
 1195   3HD1  LEU 160          HD13      LEU 160  17.821   0.200   0.200
 1196   1HD2  LEU 160          HD21      LEU 160  18.269   4.263   4.263
 1197   2HD2  LEU 160          HD23      LEU 160  16.864   3.240   3.240
 1198   3HD2  LEU 160          HD22      LEU 160  17.269   3.732   3.732
 1199    H    GLN 161           HN       GLN 161  21.957   4.551   4.551
 1200    HA   GLN 161           HA       GLN 161  23.110   3.302   3.302
 1201   1HB   GLN 161           HB2      GLN 161  24.013   4.892   4.892
 1202   2HB   GLN 161           HB1      GLN 161  24.831   5.337   5.337
 1203   1HG   GLN 161           HG2      GLN 161  25.304   2.873   2.873
 1204   2HG   GLN 161           HG1      GLN 161  24.763   2.659   2.659
 1205   1HE2  GLN 161          HE22      GLN 161  28.283   2.943   2.943
 1206   2HE2  GLN 161          HE21      GLN 161  27.043   1.813   1.813
 1207    H    GLY 162           HN       GLY 162  22.007   6.575   6.575
 1208   1HA   GLY 162           HA2      GLY 162  22.946   7.773   7.773
 1209   2HA   GLY 162           HA1      GLY 162  21.722   8.432   8.432
 1210    H    HIS 163           HN       HIS 163  19.700   6.658   6.658
 1211    HA   HIS 163           HA       HIS 163  18.463   7.277   7.277
 1212   1HB   HIS 163           HB2      HIS 163  17.772   5.412   5.412
 1213   2HB   HIS 163           HB1      HIS 163  16.778   5.481   5.481
 1214    HD2  HIS 163           HD2      HIS 163  14.718   6.519   6.519
 1215    HE1  HIS 163           HE1      HIS 163  16.601  10.286  10.286
 1216    HE2  HIS 163           HE2      HIS 163  14.511   8.937   8.937
 1217    H    MET 164           HN       MET 164  19.856   4.241   4.241
 1218    HA   MET 164           HA       MET 164  19.287   2.794   2.794
 1219   1HB   MET 164           HB1      MET 164  19.471   1.490   1.490
 1220   2HB   MET 164           HB2      MET 164  21.000   2.233   2.233
 1221   1HG   MET 164           HG1      MET 164  22.209   0.869   0.869
 1222   2HG   MET 164           HG2      MET 164  20.974   0.809   0.809
 1223   1HE   MET 164           HE1      MET 164  21.540  -0.240  -0.240
 1224   2HE   MET 164           HE3      MET 164  20.341  -1.523  -1.523
 1225   3HE   MET 164           HE2      MET 164  19.822   0.139   0.139
 1226    H    MET 165           HN       MET 165  20.186   3.630   3.630
 1227    HA   MET 165           HA       MET 165  22.653   4.891   4.891
 1228   1HB   MET 165           HB2      MET 165  20.598   3.975   3.975
 1229   2HB   MET 165           HB1      MET 165  22.159   3.511   3.511
 1230   1HG   MET 165           HG2      MET 165  21.752   6.296   6.296
 1231   2HG   MET 165           HG1      MET 165  21.094   5.816   5.816
 1232   1HE   MET 165           HE3      MET 165  22.756   8.113   8.113
 1233   2HE   MET 165           HE2      MET 165  24.490   7.956   7.956
 1234   3HE   MET 165           HE1      MET 165  23.857   7.868   7.868
 1235    H    ILE 166           HN       ILE 166  24.517   4.039   4.039
 1236    HA   ILE 166           HA       ILE 166  25.491   1.630   1.630
 1237    HB   ILE 166           HB       ILE 166  24.310   0.748   0.748
 1238   1HG1  ILE 166          HG11      ILE 166  27.162   0.370   0.370
 1239   2HG1  ILE 166          HG12      ILE 166  26.726   0.017   0.017
 1240   1HG2  ILE 166          HG21      ILE 166  25.457   2.989   2.989
 1241   2HG2  ILE 166          HG23      ILE 166  26.159   1.562   1.562
 1242   3HG2  ILE 166          HG22      ILE 166  24.407   1.763   1.763
 1243   1HD1  ILE 166          HD13      ILE 166  24.768  -1.212  -1.212
 1244   2HD1  ILE 166          HD12      ILE 166  26.306  -1.546  -1.546
 1245   3HD1  ILE 166          HD11      ILE 166  26.075  -1.984  -1.984
 1246    HA   PRO 167           HA       PRO 167  28.473   5.217   5.217
 1247   1HB   PRO 167           HB2      PRO 167  29.159   4.421   4.421
 1248   2HB   PRO 167           HB1      PRO 167  29.031   6.033   6.033
 1249   1HG   PRO 167           HG1      PRO 167  27.120   5.106   5.106
 1250   2HG   PRO 167           HG2      PRO 167  26.715   6.068   6.068
 1251   1HD   PRO 167           HD2      PRO 167  26.500   3.119   3.119
 1252   2HD   PRO 167           HD1      PRO 167  25.428   4.211   4.211
 1253    H    MET 168           HN       MET 168  30.543   4.909   4.909
 1254    HA   MET 168           HA       MET 168  31.753   2.280   2.280
 1255   1HB   MET 168           HB1      MET 168  31.206   3.631   3.631
 1256   2HB   MET 168           HB2      MET 168  32.913   3.244   3.244
 1257   1HG   MET 168           HG2      MET 168  30.653   1.279   1.279
 1258   2HG   MET 168           HG1      MET 168  31.643   1.487   1.487
 1259   1HE   MET 168           HE1      MET 168  33.856   0.550   0.550
 1260   2HE   MET 168           HE3      MET 168  34.620   1.631   1.631
 1261   3HE   MET 168           HE2      MET 168  34.971  -0.097  -0.097

  Start of MODEL   11
    1   1H    GLY   1           HT1      GLY   1 -22.843  -7.519  -7.519
    2   2H    GLY   1           HT3      GLY   1 -23.360  -7.279  -7.279
    3   3H    GLY   1           HT2      GLY   1 -23.891  -8.631  -8.631
    4   1HA   GLY   1           HA1      GLY   1 -25.721  -7.360  -7.360
    5   2HA   GLY   1           HA2      GLY   1 -24.806  -5.869  -5.869
    6    H    SER   2           HN       SER   2 -23.276  -5.389  -5.389
    7    HA   SER   2           HA       SER   2 -24.588  -6.110  -6.110
    8   1HB   SER   2           HB2      SER   2 -23.364  -3.548  -3.548
    9   2HB   SER   2           HB1      SER   2 -23.427  -3.889  -3.889
   10    HG   SER   2           HG       SER   2 -25.294  -2.769  -2.769
   11    H    MET   3           HN       MET   3 -23.400  -6.970  -6.970
   12    HA   MET   3           HA       MET   3 -20.571  -6.650  -6.650
   13   1HB   MET   3           HB1      MET   3 -20.725  -8.311  -8.311
   14   2HB   MET   3           HB2      MET   3 -21.582  -9.396  -9.396
   15   1HG   MET   3           HG1      MET   3 -19.638 -10.221 -10.221
   16   2HG   MET   3           HG2      MET   3 -19.244  -8.658  -8.658
   17   1HE   MET   3           HE3      MET   3 -19.789  -9.970  -9.970
   18   2HE   MET   3           HE2      MET   3 -18.495 -11.088 -11.088
   19   3HE   MET   3           HE1      MET   3 -18.210  -9.829  -9.829
   20    H    LEU   4           HN       LEU   4 -23.059  -9.080  -9.080
   21    HA   LEU   4           HA       LEU   4 -22.361  -8.696  -8.696
   22   1HB   LEU   4           HB2      LEU   4 -21.703 -10.914 -10.914
   23   2HB   LEU   4           HB1      LEU   4 -23.415 -11.248 -11.248
   24    HG   LEU   4           HG       LEU   4 -23.734 -11.419 -11.419
   25   1HD1  LEU   4          HD12      LEU   4 -21.196  -9.853  -9.853
   26   2HD1  LEU   4          HD11      LEU   4 -21.739 -10.841 -10.841
   27   3HD1  LEU   4          HD13      LEU   4 -22.764  -9.543  -9.543
   28   1HD2  LEU   4          HD21      LEU   4 -21.375 -12.747 -12.747
   29   2HD2  LEU   4          HD23      LEU   4 -22.761 -13.420 -13.420
   30   3HD2  LEU   4          HD22      LEU   4 -21.426 -12.704 -12.704
   31    H    LEU   5           HN       LEU   5 -24.190  -7.011  -7.011
   32    HA   LEU   5           HA       LEU   5 -26.770  -8.176  -8.176
   33   1HB   LEU   5           HB1      LEU   5 -26.043  -6.522  -6.522
   34   2HB   LEU   5           HB2      LEU   5 -27.322  -5.788  -5.788
   35    HG   LEU   5           HG       LEU   5 -28.023  -7.284  -7.284
   36   1HD1  LEU   5          HD21      LEU   5 -29.494  -6.537  -6.537
   37   2HD1  LEU   5          HD23      LEU   5 -29.098  -8.036  -8.036
   38   3HD1  LEU   5          HD22      LEU   5 -29.947  -8.091  -8.091
   39   1HD2  LEU   5          HD13      LEU   5 -26.307  -9.079  -9.079
   40   2HD2  LEU   5          HD12      LEU   5 -27.475  -9.441  -9.441
   41   3HD2  LEU   5          HD11      LEU   5 -27.913  -9.673  -9.673
   42    H    GLU   6           HN       GLU   6 -24.895  -7.238  -7.238
   43    HA   GLU   6           HA       GLU   6 -26.164  -4.753  -4.753
   44   1HB   GLU   6           HB2      GLU   6 -24.132  -4.172  -4.172
   45   2HB   GLU   6           HB1      GLU   6 -23.729  -4.583  -4.583
   46   1HG   GLU   6           HG2      GLU   6 -23.605  -6.921  -6.921
   47   2HG   GLU   6           HG1      GLU   6 -22.640  -5.639  -5.639
   48    H    GLU   7           HN       GLU   7 -25.210  -8.005  -8.005
   49    HA   GLU   7           HA       GLU   7 -25.696  -9.379  -9.379
   50   1HB   GLU   7           HB2      GLU   7 -28.018  -8.422  -8.422
   51   2HB   GLU   7           HB1      GLU   7 -27.879  -7.489  -7.489
   52   1HG   GLU   7           HG2      GLU   7 -29.126  -9.723  -9.723
   53   2HG   GLU   7           HG1      GLU   7 -27.960  -9.374  -9.374
   54    H    VAL   8           HN       VAL   8 -23.794  -7.232  -7.232
   55    HA   VAL   8           HA       VAL   8 -22.486  -6.459  -6.459
   56    HB   VAL   8           HB       VAL   8 -24.364  -8.048  -8.048
   57   1HG1  VAL   8          HG13      VAL   8 -22.198  -6.201  -6.201
   58   2HG1  VAL   8          HG12      VAL   8 -22.000  -7.797  -7.797
   59   3HG1  VAL   8          HG11      VAL   8 -23.466  -6.865  -6.865
   60   1HG2  VAL   8          HG23      VAL   8 -22.860  -9.197  -9.197
   61   2HG2  VAL   8          HG22      VAL   8 -22.846  -9.803  -9.803
   62   3HG2  VAL   8          HG21      VAL   8 -21.537  -8.768  -8.768
   63    H    CYS   9           HN       CYS   9 -25.442  -5.469  -5.469
   64    HA   CYS   9           HA       CYS   9 -26.697  -4.100  -4.100
   65   1HB   CYS   9           HB2      CYS   9 -26.211  -3.654  -3.654
   66   2HB   CYS   9           HB1      CYS   9 -26.328  -2.118  -2.118
   67    HG   CYS   9           HG       CYS   9 -28.649  -3.663  -3.663
   68    H    VAL  10           HN       VAL  10 -23.526  -3.217  -3.217
   69    HA   VAL  10           HA       VAL  10 -23.227  -1.364  -1.364
   70    HB   VAL  10           HB       VAL  10 -21.957   0.185   0.185
   71   1HG1  VAL  10          HG23      VAL  10 -24.598   0.051   0.051
   72   2HG1  VAL  10          HG22      VAL  10 -24.386  -0.226  -0.226
   73   3HG1  VAL  10          HG21      VAL  10 -23.756   1.246   1.246
   74   1HG2  VAL  10          HG12      VAL  10 -21.389  -1.854  -1.854
   75   2HG2  VAL  10          HG11      VAL  10 -21.283  -0.169  -0.169
   76   3HG2  VAL  10          HG13      VAL  10 -22.708  -1.126  -1.126
   77    H    GLY  11           HN       GLY  11 -22.217  -4.168  -4.168
   78   1HA   GLY  11           HA2      GLY  11 -19.548  -4.296  -4.296
   79   2HA   GLY  11           HA1      GLY  11 -20.420  -5.485  -5.485
   80    H    ASP  12           HN       ASP  12 -21.172  -3.564  -3.564
   81    HA   ASP  12           HA       ASP  12 -18.529  -3.195  -3.195
   82   1HB   ASP  12           HB1      ASP  12 -19.768  -4.983  -4.983
   83   2HB   ASP  12           HB2      ASP  12 -21.158  -3.922  -3.922
   84    H    ARG  13           HN       ARG  13 -20.095  -1.284  -1.284
   85    HA   ARG  13           HA       ARG  13 -20.895   0.700   0.700
   86   1HB   ARG  13           HB1      ARG  13 -22.238   0.108   0.108
   87   2HB   ARG  13           HB2      ARG  13 -21.051   1.108   1.108
   88   1HG   ARG  13           HG1      ARG  13 -22.946   2.461   2.461
   89   2HG   ARG  13           HG2      ARG  13 -21.642   2.965   2.965
   90   1HD   ARG  13           HD2      ARG  13 -23.522   0.882   0.882
   91   2HD   ARG  13           HD1      ARG  13 -24.110   2.541   2.541
   92    HE   ARG  13           HE       ARG  13 -21.745   2.777   2.777
   93   1HH1  ARG  13          HH11      ARG  13 -24.590   0.828   0.828
   94   2HH1  ARG  13          HH12      ARG  13 -24.411   0.764   0.764
   95   1HH2  ARG  13          HH21      ARG  13 -21.499   2.699   2.699
   96   2HH2  ARG  13          HH22      ARG  13 -22.652   1.826   1.826
   97    H    LEU  14           HN       LEU  14 -19.014   0.746   0.746
   98    HA   LEU  14           HA       LEU  14 -17.616   3.121   3.121
   99   1HB   LEU  14           HB1      LEU  14 -17.955   2.663   2.663
  100   2HB   LEU  14           HB2      LEU  14 -17.201   1.086   1.086
  101    HG   LEU  14           HG       LEU  14 -15.842   2.926   2.926
  102   1HD1  LEU  14          HD11      LEU  14 -15.094   0.726   0.726
  103   2HD1  LEU  14          HD13      LEU  14 -14.224   1.967   1.967
  104   3HD1  LEU  14          HD12      LEU  14 -13.967   1.796   1.796
  105   1HD2  LEU  14          HD22      LEU  14 -16.512   4.554   4.554
  106   2HD2  LEU  14          HD21      LEU  14 -14.878   4.622   4.622
  107   3HD2  LEU  14          HD23      LEU  14 -15.177   3.808   3.808
  108    H    SER  15           HN       SER  15 -16.806  -0.325  -0.325
  109    HA   SER  15           HA       SER  15 -14.106  -0.133  -0.133
  110   1HB   SER  15           HB1      SER  15 -16.185  -2.246  -2.246
  111   2HB   SER  15           HB2      SER  15 -14.517  -2.435  -2.435
  112    HG   SER  15           HG       SER  15 -14.811  -3.368  -3.368
  113    H    GLY  16           HN       GLY  16 -16.979   0.011   0.011
  114   1HA   GLY  16           HA2      GLY  16 -15.656  -0.169  -0.169
  115   2HA   GLY  16           HA1      GLY  16 -17.263   0.487   0.487
  116    H    ALA  17           HN       ALA  17 -16.886   2.660   2.660
  117    HA   ALA  17           HA       ALA  17 -15.985   4.593   4.593
  118   1HB   ALA  17           HB3      ALA  17 -17.604   4.853   4.853
  119   2HB   ALA  17           HB2      ALA  17 -16.161   5.084   5.084
  120   3HB   ALA  17           HB1      ALA  17 -16.506   6.191   6.191
  121    H    ALA  18           HN       ALA  18 -14.474   3.416   3.416
  122    HA   ALA  18           HA       ALA  18 -12.172   4.971   4.971
  123   1HB   ALA  18           HB3      ALA  18 -13.052   3.348   3.348
  124   2HB   ALA  18           HB2      ALA  18 -12.079   2.143   2.143
  125   3HB   ALA  18           HB1      ALA  18 -11.313   3.583   3.583
  126    H    ALA  19           HN       ALA  19 -12.675   1.697   1.697
  127    HA   ALA  19           HA       ALA  19 -10.100   1.427   1.427
  128   1HB   ALA  19           HB3      ALA  19 -11.789  -0.406  -0.406
  129   2HB   ALA  19           HB2      ALA  19 -12.570   0.070   0.070
  130   3HB   ALA  19           HB1      ALA  19 -10.908  -0.518  -0.518
  131    H    ARG  20           HN       ARG  20 -13.036   2.916   2.916
  132    HA   ARG  20           HA       ARG  20 -12.220   3.112   3.112
  133   1HB   ARG  20           HB1      ARG  20 -14.344   4.584   4.584
  134   2HB   ARG  20           HB2      ARG  20 -14.112   4.742   4.742
  135   1HG   ARG  20           HG2      ARG  20 -14.325   1.970   1.970
  136   2HG   ARG  20           HG1      ARG  20 -15.719   2.899   2.899
  137   1HD   ARG  20           HD2      ARG  20 -14.716   2.492   2.492
  138   2HD   ARG  20           HD1      ARG  20 -16.327   2.201   2.201
  139    HE   ARG  20           HE       ARG  20 -15.901   4.904   4.904
  140   1HH1  ARG  20          HH21      ARG  20 -15.963   2.603   2.603
  141   2HH1  ARG  20          HH22      ARG  20 -16.512   3.755   3.755
  142   1HH2  ARG  20          HH11      ARG  20 -16.626   6.427   6.427
  143   2HH2  ARG  20          HH12      ARG  20 -16.890   5.929   5.929
  144    H    GLY  21           HN       GLY  21 -10.937   4.521   4.521
  145   1HA   GLY  21           HA1      GLY  21  -9.683   6.404   6.404
  146   2HA   GLY  21           HA2      GLY  21  -9.280   6.286   6.286
  147    H    ASP  22           HN       ASP  22 -11.966   7.382   7.382
  148    HA   ASP  22           HA       ASP  22 -12.114   9.806   9.806
  149   1HB   ASP  22           HB2      ASP  22 -14.702   8.957   8.957
  150   2HB   ASP  22           HB1      ASP  22 -14.019   7.799   7.799
  151    H    VAL  23           HN       VAL  23 -11.144  11.103  11.103
  152    HA   VAL  23           HA       VAL  23 -11.468  11.076  11.076
  153    HB   VAL  23           HB       VAL  23  -9.772  12.448  12.448
  154   1HG1  VAL  23          HG12      VAL  23 -12.150  13.958  13.958
  155   2HG1  VAL  23          HG11      VAL  23 -10.555  14.704  14.704
  156   3HG1  VAL  23          HG13      VAL  23 -10.793  13.279  13.279
  157   1HG2  VAL  23          HG21      VAL  23 -11.234  13.131  13.131
  158   2HG2  VAL  23          HG23      VAL  23  -9.685  13.824  13.824
  159   3HG2  VAL  23          HG22      VAL  23 -11.188  14.629  14.629
  160    H    GLN  24           HN       GLN  24 -13.671  12.100  12.100
  161    HA   GLN  24           HA       GLN  24 -15.259  13.825  13.825
  162   1HB   GLN  24           HB1      GLN  24 -15.772  12.432  12.432
  163   2HB   GLN  24           HB2      GLN  24 -16.966  13.463  13.463
  164   1HG   GLN  24           HG2      GLN  24 -14.366  14.736  14.736
  165   2HG   GLN  24           HG1      GLN  24 -15.028  14.261  14.261
  166   1HE2  GLN  24          HE22      GLN  24 -17.287  16.859  16.859
  167   2HE2  GLN  24          HE21      GLN  24 -16.459  15.558  15.558
  168    HA   GLU  25           HA       GLU  25 -18.130  10.145  10.145
  169   1HB   GLU  25           HB1      GLU  25 -16.603   7.984   7.984
  170   2HB   GLU  25           HB2      GLU  25 -18.301   7.995   7.995
  171   1HG   GLU  25           HG2      GLU  25 -17.541   8.430   8.430
  172   2HG   GLU  25           HG1      GLU  25 -18.916   9.278   9.278
  173    HE1  GLU  25           HN       GLU  25 -15.890  10.559  10.559
  174    H    VAL  26           HN       VAL  26 -14.760   9.828   9.828
  175    HA   VAL  26           HA       VAL  26 -14.639   7.711   7.711
  176    HB   VAL  26           HB       VAL  26 -12.800   9.955   9.955
  177   1HG1  VAL  26          HG21      VAL  26 -12.639   9.758   9.758
  178   2HG1  VAL  26          HG23      VAL  26 -12.247   8.050   8.050
  179   3HG1  VAL  26          HG22      VAL  26 -11.158   9.281   9.281
  180   1HG2  VAL  26          HG12      VAL  26 -13.180   7.424   7.424
  181   2HG2  VAL  26          HG11      VAL  26 -11.712   8.378   8.378
  182   3HG2  VAL  26          HG13      VAL  26 -11.822   7.205   7.205
  183    H    ARG  27           HN       ARG  27 -14.183  11.182  11.182
  184    HA   ARG  27           HA       ARG  27 -14.690  10.832  10.832
  185   1HB   ARG  27           HB1      ARG  27 -14.468  13.260  13.260
  186   2HB   ARG  27           HB2      ARG  27 -13.180  12.566  12.566
  187   1HG   ARG  27           HG1      ARG  27 -13.907  13.537  13.537
  188   2HG   ARG  27           HG2      ARG  27 -15.600  13.501  13.501
  189   1HD   ARG  27           HD1      ARG  27 -14.768  15.235  15.235
  190   2HD   ARG  27           HD2      ARG  27 -13.488  15.503  15.503
  191    HE   ARG  27           HE       ARG  27 -16.202  16.355  16.355
  192   1HH1  ARG  27          HH11      ARG  27 -13.461  15.303  15.303
  193   2HH1  ARG  27          HH12      ARG  27 -13.946  16.149  16.149
  194   1HH2  ARG  27          HH21      ARG  27 -16.852  17.476  17.476
  195   2HH2  ARG  27          HH22      ARG  27 -15.874  17.386  17.386
  196    H    ARG  28           HN       ARG  28 -16.610  12.016  12.016
  197    HA   ARG  28           HA       ARG  28 -18.754  13.075  13.075
  198   1HB   ARG  28           HB2      ARG  28 -18.509  13.591  13.591
  199   2HB   ARG  28           HB1      ARG  28 -18.644  11.894  11.894
  200   1HG   ARG  28           HG2      ARG  28 -20.975  11.945  11.945
  201   2HG   ARG  28           HG1      ARG  28 -20.800  13.697  13.697
  202   1HD   ARG  28           HD2      ARG  28 -20.014  12.703  12.703
  203   2HD   ARG  28           HD1      ARG  28 -21.676  12.270  12.270
  204    HE   ARG  28           HE       ARG  28 -22.260  14.500  14.500
  205   1HH1  ARG  28          HH11      ARG  28 -18.798  14.160  14.160
  206   2HH1  ARG  28          HH12      ARG  28 -18.528  15.808  15.808
  207   1HH2  ARG  28          HH21      ARG  28 -21.916  16.672  16.672
  208   2HH2  ARG  28          HH22      ARG  28 -20.302  17.236  17.236
  209    H    LEU  29           HN       LEU  29 -17.947   9.792   9.792
  210    HA   LEU  29           HA       LEU  29 -20.548   8.710   8.710
  211   1HB   LEU  29           HB2      LEU  29 -17.816   7.625   7.625
  212   2HB   LEU  29           HB1      LEU  29 -19.001   6.568   6.568
  213    HG   LEU  29           HG       LEU  29 -19.486   7.970   7.970
  214   1HD1  LEU  29          HD13      LEU  29 -17.866   5.608   5.608
  215   2HD1  LEU  29          HD12      LEU  29 -19.094   5.355   5.355
  216   3HD1  LEU  29          HD11      LEU  29 -17.894   6.632   6.632
  217   1HD2  LEU  29          HD21      LEU  29 -21.177   6.608   6.608
  218   2HD2  LEU  29          HD23      LEU  29 -21.493   7.016   7.016
  219   3HD2  LEU  29          HD22      LEU  29 -20.808   5.445   5.445
  220    H    LEU  30           HN       LEU  30 -17.556   8.337   8.337
  221    HA   LEU  30           HA       LEU  30 -18.850   7.227   7.227
  222   1HB   LEU  30           HB1      LEU  30 -16.197   8.650   8.650
  223   2HB   LEU  30           HB2      LEU  30 -16.748   7.456   7.456
  224    HG   LEU  30           HG       LEU  30 -16.674   6.587   6.587
  225   1HD1  LEU  30          HD11      LEU  30 -14.334   7.666   7.666
  226   2HD1  LEU  30          HD13      LEU  30 -14.118   6.042   6.042
  227   3HD1  LEU  30          HD12      LEU  30 -14.599   7.364   7.364
  228   1HD2  LEU  30          HD23      LEU  30 -16.821   5.432   5.432
  229   2HD2  LEU  30          HD22      LEU  30 -16.862   4.627   4.627
  230   3HD2  LEU  30          HD21      LEU  30 -15.321   4.886   4.886
  231    H    HIS  31           HN       HIS  31 -17.538  10.540  10.540
  232    HA   HIS  31           HA       HIS  31 -18.573  11.387  11.387
  233   1HB   HIS  31           HB1      HIS  31 -17.658  13.491  13.491
  234   2HB   HIS  31           HB2      HIS  31 -16.582  12.377  12.377
  235    HD2  HIS  31           HD2      HIS  31 -15.757  13.898  13.898
  236    HE1  HIS  31           HE1      HIS  31 -19.587  15.037  15.037
  237    HE2  HIS  31           HE2      HIS  31 -17.089  15.259  15.259
  238    H    ARG  32           HN       ARG  32 -20.179  10.694  10.694
  239    HA   ARG  32           HA       ARG  32 -22.422  12.394  12.394
  240   1HB   ARG  32           HB1      ARG  32 -20.912  12.847  12.847
  241   2HB   ARG  32           HB2      ARG  32 -22.396  12.087  12.087
  242   1HG   ARG  32           HG2      ARG  32 -23.691  13.780  13.780
  243   2HG   ARG  32           HG1      ARG  32 -22.175  14.566  14.566
  244   1HD   ARG  32           HD2      ARG  32 -22.764  15.778  15.778
  245   2HD   ARG  32           HD1      ARG  32 -21.758  14.523  14.523
  246    HE   ARG  32           HE       ARG  32 -23.593  13.775  13.775
  247   1HH1  ARG  32          HH11      ARG  32 -24.650  15.685  15.685
  248   2HH1  ARG  32          HH12      ARG  32 -26.324  15.618  15.618
  249   1HH2  ARG  32          HH21      ARG  32 -25.796  13.681  13.681
  250   2HH2  ARG  32          HH22      ARG  32 -26.976  14.479  14.479
  251    H    GLU  33           HN       GLU  33 -21.995  10.254  10.254
  252    HA   GLU  33           HA       GLU  33 -24.397   9.015   9.015
  253   1HB   GLU  33           HB1      GLU  33 -22.517   8.656   8.656
  254   2HB   GLU  33           HB2      GLU  33 -21.815   7.526   7.526
  255   1HG   GLU  33           HG1      GLU  33 -24.437   6.677   6.677
  256   2HG   GLU  33           HG2      GLU  33 -23.950   7.142   7.142
  257    H    LEU  34           HN       LEU  34 -21.824   8.520   8.520
  258    HA   LEU  34           HA       LEU  34 -21.726   7.389   7.389
  259   1HB   LEU  34           HB1      LEU  34 -23.970   8.368   8.368
  260   2HB   LEU  34           HB2      LEU  34 -24.686   6.967   6.967
  261    HG   LEU  34           HG       LEU  34 -23.695   5.550   5.550
  262   1HD1  LEU  34          HD21      LEU  34 -22.239   7.846   7.846
  263   2HD1  LEU  34          HD23      LEU  34 -23.406   7.725   7.725
  264   3HD1  LEU  34          HD22      LEU  34 -22.321   6.378   6.378
  265   1HD2  LEU  34          HD12      LEU  34 -25.925   7.348   7.348
  266   2HD2  LEU  34          HD11      LEU  34 -25.772   5.716   5.716
  267   3HD2  LEU  34          HD13      LEU  34 -25.267   7.100   7.100
  268    H    VAL  35           HN       VAL  35 -20.478   5.872   5.872
  269    HA   VAL  35           HA       VAL  35 -21.818   3.250   3.250
  270    HB   VAL  35           HB       VAL  35 -19.679   4.332   4.332
  271   1HG1  VAL  35          HG13      VAL  35 -20.871   1.575   1.575
  272   2HG1  VAL  35          HG12      VAL  35 -19.974   2.144   2.144
  273   3HG1  VAL  35          HG11      VAL  35 -19.176   2.036   2.036
  274   1HG2  VAL  35          HG21      VAL  35 -22.591   3.689   3.689
  275   2HG2  VAL  35          HG23      VAL  35 -21.748   5.200   5.200
  276   3HG2  VAL  35          HG22      VAL  35 -21.478   3.790   3.790
  277    H    HIS  36           HN       HIS  36 -20.389   1.391   1.391
  278    HA   HIS  36           HA       HIS  36 -18.643   1.780   1.780
  279   1HB   HIS  36           HB1      HIS  36 -20.076  -0.376  -0.376
  280   2HB   HIS  36           HB2      HIS  36 -18.378  -0.837  -0.837
  281    HD2  HIS  36           HD2      HIS  36 -20.810   0.602   0.602
  282    HE1  HIS  36           HE1      HIS  36 -18.107  -2.176  -2.176
  283    HE2  HIS  36           HE2      HIS  36 -19.958  -0.511  -0.511
  284    HA   PRO  37           HA       PRO  37 -14.805   2.329   2.329
  285   1HB   PRO  37           HB2      PRO  37 -13.116   1.275   1.275
  286   2HB   PRO  37           HB1      PRO  37 -13.870   2.863   2.863
  287   1HG   PRO  37           HG1      PRO  37 -14.673   0.253   0.253
  288   2HG   PRO  37           HG2      PRO  37 -14.620   1.865   1.865
  289   1HD   PRO  37           HD2      PRO  37 -16.925   0.749   0.749
  290   2HD   PRO  37           HD1      PRO  37 -16.632   2.499   2.499
  291    H    ASP  38           HN       ASP  38 -15.666  -0.830  -0.830
  292    HA   ASP  38           HA       ASP  38 -13.656  -2.208  -2.208
  293   1HB   ASP  38           HB2      ASP  38 -15.411  -2.851  -2.851
  294   2HB   ASP  38           HB1      ASP  38 -15.599  -4.048  -4.048
  295    H    ALA  39           HN       ALA  39 -17.201  -2.598  -2.598
  296    HA   ALA  39           HA       ALA  39 -18.598  -3.466  -3.466
  297   1HB   ALA  39           HB1      ALA  39 -17.752  -0.818  -0.818
  298   2HB   ALA  39           HB3      ALA  39 -17.908  -1.644  -1.644
  299   3HB   ALA  39           HB2      ALA  39 -19.277  -1.588  -1.588
  300    H    LEU  40           HN       LEU  40 -17.659  -5.486  -5.486
  301    HA   LEU  40           HA       LEU  40 -15.716  -5.635  -5.635
  302   1HB   LEU  40           HB2      LEU  40 -16.914  -7.803  -7.803
  303   2HB   LEU  40           HB1      LEU  40 -15.656  -8.045  -8.045
  304    HG   LEU  40           HG       LEU  40 -14.366  -6.256  -6.256
  305   1HD1  LEU  40          HD21      LEU  40 -16.658  -7.001  -7.001
  306   2HD1  LEU  40          HD23      LEU  40 -15.077  -6.979  -6.979
  307   3HD1  LEU  40          HD22      LEU  40 -15.684  -5.531  -5.531
  308   1HD2  LEU  40          HD11      LEU  40 -14.381  -9.040  -9.040
  309   2HD2  LEU  40          HD13      LEU  40 -13.093  -8.010  -8.010
  310   3HD2  LEU  40          HD12      LEU  40 -14.307  -8.669  -8.669
  311    H    ASN  41           HN       ASN  41 -16.102  -6.505  -6.505
  312    HA   ASN  41           HA       ASN  41 -18.757  -6.439  -6.439
  313   1HB   ASN  41           HB1      ASN  41 -16.520  -7.806  -7.806
  314   2HB   ASN  41           HB2      ASN  41 -17.829  -6.820  -6.820
  315   1HD2  ASN  41          HD22      ASN  41 -14.376  -5.129  -5.129
  316   2HD2  ASN  41          HD21      ASN  41 -14.740  -6.792  -6.792
  317    H    ARG  42           HN       ARG  42 -19.953  -7.925  -7.925
  318    HA   ARG  42           HA       ARG  42 -21.100  -9.931  -9.931
  319   1HB   ARG  42           HB2      ARG  42 -19.592 -10.324 -10.324
  320   2HB   ARG  42           HB1      ARG  42 -18.911 -11.549 -11.549
  321   1HG   ARG  42           HG2      ARG  42 -21.789 -11.598 -11.598
  322   2HG   ARG  42           HG1      ARG  42 -21.208 -11.754 -11.754
  323   1HD   ARG  42           HD2      ARG  42 -20.527 -13.477 -13.477
  324   2HD   ARG  42           HD1      ARG  42 -21.368 -13.949 -13.949
  325    HE   ARG  42           HE       ARG  42 -18.542 -13.798 -13.798
  326   1HH1  ARG  42          HH11      ARG  42 -21.077 -13.498 -13.498
  327   2HH1  ARG  42          HH12      ARG  42 -20.054 -13.906 -13.906
  328   1HH2  ARG  42          HH21      ARG  42 -17.185 -14.336 -14.336
  329   2HH2  ARG  42          HH22      ARG  42 -17.840 -14.382 -14.382
  330    H    PHE  43           HN       PHE  43 -18.849  -8.865  -8.865
  331    HA   PHE  43           HA       PHE  43 -17.934  -9.427  -9.427
  332   1HB   PHE  43           HB2      PHE  43 -20.241 -10.626 -10.626
  333   2HB   PHE  43           HB1      PHE  43 -19.305 -12.097 -12.097
  334    HD1  PHE  43           HD2      PHE  43 -18.704  -9.005  -9.005
  335    HD2  PHE  43           HD1      PHE  43 -19.114 -13.250 -13.250
  336    HE1  PHE  43           HE2      PHE  43 -18.175  -9.072  -9.072
  337    HE2  PHE  43           HE1      PHE  43 -18.586 -13.325 -13.325
  338    HZ   PHE  43           HZ       PHE  43 -18.116 -11.233 -11.233
  339    H    GLY  44           HN       GLY  44 -16.259  -9.740  -9.740
  340   1HA   GLY  44           HA2      GLY  44 -14.804 -12.200 -12.200
  341   2HA   GLY  44           HA1      GLY  44 -15.023 -11.769 -11.769
  342    H    LYS  45           HN       LYS  45 -14.202  -9.570  -9.570
  343    HA   LYS  45           HA       LYS  45 -11.518  -9.274  -9.274
  344   1HB   LYS  45           HB1      LYS  45 -12.791  -7.654  -7.654
  345   2HB   LYS  45           HB2      LYS  45 -11.077  -7.902  -7.902
  346   1HG   LYS  45           HG2      LYS  45 -11.338 -10.277 -10.277
  347   2HG   LYS  45           HG1      LYS  45 -13.042  -9.987  -9.987
  348   1HD   LYS  45           HD2      LYS  45 -12.383  -9.584  -9.584
  349   2HD   LYS  45           HD1      LYS  45 -11.762  -8.051  -8.051
  350   1HE   LYS  45           HE1      LYS  45  -9.601  -8.745  -8.745
  351   2HE   LYS  45           HE2      LYS  45 -10.018 -10.423 -10.423
  352   1HZ   LYS  45           HZ3      LYS  45 -11.092 -10.004 -10.004
  353   2HZ   LYS  45           HZ2      LYS  45  -9.654  -9.114  -9.114
  354   3HZ   LYS  45           HZ1      LYS  45  -9.610 -10.762 -10.762
  355    H    THR  46           HN       THR  46 -10.654  -7.356  -7.356
  356    HA   THR  46           HA       THR  46 -12.583  -5.745  -5.745
  357    HB   THR  46           HB       THR  46 -10.300  -4.697  -4.697
  358    HG1  THR  46           HG1      THR  46  -9.403  -7.268  -7.268
  359   1HG2  THR  46          HG21      THR  46 -11.376  -7.392  -7.392
  360   2HG2  THR  46          HG23      THR  46 -10.004  -6.662  -6.662
  361   3HG2  THR  46          HG22      THR  46 -11.572  -5.853  -5.853
  362    H    ALA  47           HN       ALA  47 -12.679  -3.468  -3.468
  363    HA   ALA  47           HA       ALA  47 -12.702  -2.312  -2.312
  364   1HB   ALA  47           HB3      ALA  47 -12.631  -1.145  -1.145
  365   2HB   ALA  47           HB2      ALA  47 -12.621  -0.103  -0.103
  366   3HB   ALA  47           HB1      ALA  47 -13.967  -1.210  -1.210
  367    H    LEU  48           HN       LEU  48 -10.113  -2.407  -2.407
  368    HA   LEU  48           HA       LEU  48  -8.408  -0.591  -0.591
  369   1HB   LEU  48           HB1      LEU  48  -8.296  -2.235  -2.235
  370   2HB   LEU  48           HB2      LEU  48  -6.760  -2.138  -2.138
  371    HG   LEU  48           HG       LEU  48  -8.327   0.337   0.337
  372   1HD1  LEU  48          HD12      LEU  48  -7.912  -1.081  -1.081
  373   2HD1  LEU  48          HD11      LEU  48  -6.188  -0.864  -0.864
  374   3HD1  LEU  48          HD13      LEU  48  -7.208   0.536   0.536
  375   1HD2  LEU  48          HD21      LEU  48  -6.098  -0.052  -0.052
  376   2HD2  LEU  48          HD23      LEU  48  -6.543   1.460   1.460
  377   3HD2  LEU  48          HD22      LEU  48  -5.408   0.358   0.358
  378    H    GLN  49           HN       GLN  49  -9.056  -3.991  -3.991
  379    HA   GLN  49           HA       GLN  49  -6.665  -4.782  -4.782
  380   1HB   GLN  49           HB1      GLN  49  -8.281  -6.306  -6.306
  381   2HB   GLN  49           HB2      GLN  49  -9.368  -6.118  -6.118
  382   1HG   GLN  49           HG1      GLN  49  -7.481  -8.073  -8.073
  383   2HG   GLN  49           HG2      GLN  49  -8.264  -7.612  -7.612
  384   1HE2  GLN  49          HE22      GLN  49  -4.436  -6.364  -6.364
  385   2HE2  GLN  49          HE21      GLN  49  -5.521  -6.689  -6.689
  386    H    VAL  50           HN       VAL  50  -9.769  -3.566  -3.566
  387    HA   VAL  50           HA       VAL  50  -9.027  -3.920  -3.920
  388    HB   VAL  50           HB       VAL  50 -11.296  -2.951  -2.951
  389   1HG1  VAL  50          HG12      VAL  50 -11.140  -5.398  -5.398
  390   2HG1  VAL  50          HG11      VAL  50 -12.535  -4.955  -4.955
  391   3HG1  VAL  50          HG13      VAL  50 -10.997  -5.339  -5.339
  392   1HG2  VAL  50          HG22      VAL  50 -11.142  -2.389  -2.389
  393   2HG2  VAL  50          HG21      VAL  50 -12.325  -1.841  -1.841
  394   3HG2  VAL  50          HG23      VAL  50 -12.560  -3.377  -3.377
  395    H    MET  51           HN       MET  51  -8.965  -1.549  -1.549
  396    HA   MET  51           HA       MET  51  -9.346   0.856   0.856
  397   1HB   MET  51           HB2      MET  51  -8.300   0.080   0.080
  398   2HB   MET  51           HB1      MET  51  -6.854   0.693   0.693
  399   1HG   MET  51           HG1      MET  51  -8.980   2.547   2.547
  400   2HG   MET  51           HG2      MET  51  -8.882   2.140   2.140
  401   1HE   MET  51           HE2      MET  51  -7.356   2.604   2.604
  402   2HE   MET  51           HE1      MET  51  -5.690   2.264   2.264
  403   3HE   MET  51           HE3      MET  51  -6.177   3.913   3.913
  404    H    MET  52           HN       MET  52  -8.168   2.286   2.286
  405    HA   MET  52           HA       MET  52  -5.963   1.069   1.069
  406   1HB   MET  52           HB2      MET  52  -6.709   2.112   2.112
  407   2HB   MET  52           HB1      MET  52  -8.238   1.940   1.940
  408   1HG   MET  52           HG1      MET  52  -8.472   4.112   4.112
  409   2HG   MET  52           HG2      MET  52  -7.407   4.340   4.340
  410   1HE   MET  52           HE2      MET  52  -8.249   5.420   5.420
  411   2HE   MET  52           HE1      MET  52  -7.522   6.751   6.751
  412   3HE   MET  52           HE3      MET  52  -6.817   6.233   6.233
  413    H    PHE  53           HN       PHE  53  -6.139   2.810   2.810
  414    HA   PHE  53           HA       PHE  53  -4.904   4.415   4.415
  415   1HB   PHE  53           HB2      PHE  53  -2.944   3.850   3.850
  416   2HB   PHE  53           HB1      PHE  53  -2.572   4.662   4.662
  417    HD1  PHE  53           HD2      PHE  53  -4.028   1.446   1.446
  418    HD2  PHE  53           HD1      PHE  53  -1.668   3.428   3.428
  419    HE1  PHE  53           HE2      PHE  53  -3.508  -0.724  -0.724
  420    HE2  PHE  53           HE1      PHE  53  -1.144   1.258   1.258
  421    HZ   PHE  53           HZ       PHE  53  -2.082  -0.834  -0.834
  422    H    GLY  54           HN       GLY  54  -3.749   5.153   5.153
  423   1HA   GLY  54           HA2      GLY  54  -3.586   7.272   7.272
  424   2HA   GLY  54           HA1      GLY  54  -5.327   7.038   7.038
  425    H    SER  55           HN       SER  55  -6.623   8.149   8.149
  426    HA   SER  55           HA       SER  55  -5.618  10.641  10.641
  427   1HB   SER  55           HB1      SER  55  -8.236   9.224   9.224
  428   2HB   SER  55           HB2      SER  55  -7.971  10.537  10.537
  429    HG   SER  55           HG       SER  55  -7.158  11.255  11.255
  430    HA   PRO  56           HA       PRO  56  -4.024   9.298   9.298
  431   1HB   PRO  56           HB2      PRO  56  -3.576  11.755  11.755
  432   2HB   PRO  56           HB1      PRO  56  -2.540  11.047  11.047
  433   1HG   PRO  56           HG2      PRO  56  -4.733  13.063  13.063
  434   2HG   PRO  56           HG1      PRO  56  -3.143  13.022  13.022
  435   1HD   PRO  56           HD1      PRO  56  -5.428  12.229  12.229
  436   2HD   PRO  56           HD2      PRO  56  -3.839  11.531  11.531
  437    H    ALA  57           HN       ALA  57  -6.683  11.541  11.541
  438    HA   ALA  57           HA       ALA  57  -7.502  11.681  11.681
  439   1HB   ALA  57           HB1      ALA  57  -8.590  12.425  12.425
  440   2HB   ALA  57           HB3      ALA  57  -9.823  11.975  11.975
  441   3HB   ALA  57           HB2      ALA  57  -8.678  13.264  13.264
  442    H    VAL  58           HN       VAL  58  -8.200   9.376   9.376
  443    HA   VAL  58           HA       VAL  58 -10.300   8.007   8.007
  444    HB   VAL  58           HB       VAL  58 -10.146   6.464   6.464
  445   1HG1  VAL  58          HG22      VAL  58  -9.938   8.994   8.994
  446   2HG1  VAL  58          HG21      VAL  58  -8.438   8.393   8.393
  447   3HG1  VAL  58          HG23      VAL  58  -9.980   7.672   7.672
  448   1HG2  VAL  58          HG12      VAL  58  -7.162   6.863   6.863
  449   2HG2  VAL  58          HG11      VAL  58  -8.049   5.444   5.444
  450   3HG2  VAL  58          HG13      VAL  58  -8.028   5.854   5.854
  451    H    ALA  59           HN       ALA  59  -6.821   7.733   7.733
  452    HA   ALA  59           HA       ALA  59  -6.712   5.267   5.267
  453   1HB   ALA  59           HB1      ALA  59  -4.895   7.557   7.557
  454   2HB   ALA  59           HB3      ALA  59  -4.556   6.531   6.531
  455   3HB   ALA  59           HB2      ALA  59  -4.615   5.830   5.830
  456    H    LEU  60           HN       LEU  60  -6.522   8.570   8.570
  457    HA   LEU  60           HA       LEU  60  -6.705   7.785   7.785
  458   1HB   LEU  60           HB2      LEU  60  -5.864   9.977   9.977
  459   2HB   LEU  60           HB1      LEU  60  -7.495  10.419  10.419
  460    HG   LEU  60           HG       LEU  60  -6.756   9.713   9.713
  461   1HD1  LEU  60          HD13      LEU  60  -6.828  12.441  12.441
  462   2HD1  LEU  60          HD12      LEU  60  -6.644  12.115  12.115
  463   3HD1  LEU  60          HD11      LEU  60  -5.391  11.607  11.607
  464   1HD2  LEU  60          HD22      LEU  60  -9.191  10.359  10.359
  465   2HD2  LEU  60          HD21      LEU  60  -8.953   9.823   9.823
  466   3HD2  LEU  60          HD23      LEU  60  -8.861  11.539  11.539
  467    H    GLU  61           HN       GLU  61  -9.126   8.494   8.494
  468    HA   GLU  61           HA       GLU  61 -11.357   8.769   8.769
  469   1HB   GLU  61           HB1      GLU  61 -10.988   8.049   8.049
  470   2HB   GLU  61           HB2      GLU  61 -12.575   7.886   7.886
  471   1HG   GLU  61           HG2      GLU  61 -12.846  10.148  10.148
  472   2HG   GLU  61           HG1      GLU  61 -11.113  10.460  10.460
  473    H    LEU  62           HN       LEU  62 -10.397   5.936   5.936
  474    HA   LEU  62           HA       LEU  62 -12.226   4.165   4.165
  475   1HB   LEU  62           HB2      LEU  62  -9.671   3.824   3.824
  476   2HB   LEU  62           HB1      LEU  62 -10.534   2.439   2.439
  477    HG   LEU  62           HG       LEU  62 -12.567   3.545   3.545
  478   1HD1  LEU  62          HD21      LEU  62 -11.275   5.543   5.543
  479   2HD1  LEU  62          HD23      LEU  62 -10.200   4.517   4.517
  480   3HD1  LEU  62          HD22      LEU  62 -11.901   4.660   4.660
  481   1HD2  LEU  62          HD13      LEU  62 -11.209   1.334   1.334
  482   2HD2  LEU  62          HD12      LEU  62 -12.303   1.936   1.936
  483   3HD2  LEU  62          HD11      LEU  62 -10.567   2.208   2.208
  484    H    LEU  63           HN       LEU  63  -8.791   4.742   4.742
  485    HA   LEU  63           HA       LEU  63  -8.508   2.789   2.789
  486   1HB   LEU  63           HB2      LEU  63  -6.993   5.221   5.221
  487   2HB   LEU  63           HB1      LEU  63  -6.608   4.481   4.481
  488    HG   LEU  63           HG       LEU  63  -6.630   2.333   2.333
  489   1HD1  LEU  63          HD11      LEU  63  -5.381   4.712   4.712
  490   2HD1  LEU  63          HD13      LEU  63  -5.159   3.030   3.030
  491   3HD1  LEU  63          HD12      LEU  63  -6.758   3.769   3.769
  492   1HD2  LEU  63          HD22      LEU  63  -4.385   4.044   4.044
  493   2HD2  LEU  63          HD21      LEU  63  -5.027   2.556   2.556
  494   3HD2  LEU  63          HD23      LEU  63  -4.133   2.506   2.506
  495    H    LYS  64           HN       LYS  64  -8.842   6.326   6.326
  496    HA   LYS  64           HA       LYS  64  -9.155   6.251   6.251
  497   1HB   LYS  64           HB1      LYS  64  -8.565   8.266   8.266
  498   2HB   LYS  64           HB2      LYS  64 -10.252   8.356   8.356
  499   1HG   LYS  64           HG2      LYS  64  -9.832   8.219   8.219
  500   2HG   LYS  64           HG1      LYS  64  -9.172   9.661   9.661
  501   1HD   LYS  64           HD1      LYS  64 -11.568   9.581   9.581
  502   2HD   LYS  64           HD2      LYS  64 -11.982   8.795   8.795
  503   1HE   LYS  64           HE2      LYS  64 -11.137  10.688  10.688
  504   2HE   LYS  64           HE1      LYS  64 -10.596  11.461  11.461
  505   1HZ   LYS  64           HZ1      LYS  64 -13.427  10.816  10.816
  506   2HZ   LYS  64           HZ3      LYS  64 -12.722  12.338  12.338
  507   3HZ   LYS  64           HZ2      LYS  64 -12.856  11.689  11.689
  508    H    GLN  65           HN       GLN  65 -11.371   5.640   5.640
  509    HA   GLN  65           HA       GLN  65 -13.767   6.114   6.114
  510   1HB   GLN  65           HB2      GLN  65 -13.858   6.239   6.239
  511   2HB   GLN  65           HB1      GLN  65 -13.235   4.604   4.604
  512   1HG   GLN  65           HG2      GLN  65 -15.482   4.317   4.317
  513   2HG   GLN  65           HG1      GLN  65 -15.356   3.927   3.927
  514   1HE2  GLN  65          HE22      GLN  65 -18.252   6.039   6.039
  515   2HE2  GLN  65          HE21      GLN  65 -17.753   4.419   4.419
  516    H    GLY  66           HN       GLY  66 -11.506   3.541   3.541
  517   1HA   GLY  66           HA1      GLY  66 -11.705   1.960   1.960
  518   2HA   GLY  66           HA2      GLY  66 -13.397   1.803   1.803
  519    H    ALA  67           HN       ALA  67 -10.387   1.739   1.739
  520    HA   ALA  67           HA       ALA  67 -11.226  -0.887  -0.887
  521   1HB   ALA  67           HB1      ALA  67 -11.310   0.912   0.912
  522   2HB   ALA  67           HB3      ALA  67  -9.590   1.209   1.209
  523   3HB   ALA  67           HB2      ALA  67 -10.130  -0.334  -0.334
  524    H    SER  68           HN       SER  68  -9.468  -2.331  -2.331
  525    HA   SER  68           HA       SER  68  -6.996  -1.872  -1.872
  526   1HB   SER  68           HB2      SER  68  -8.328  -4.564  -4.564
  527   2HB   SER  68           HB1      SER  68  -6.953  -4.170  -4.170
  528    HG   SER  68           HG       SER  68  -8.305  -2.969  -2.969
  529    HA   PRO  69           HA       PRO  69  -5.278  -2.639  -2.639
  530   1HB   PRO  69           HB1      PRO  69  -2.710  -2.121  -2.121
  531   2HB   PRO  69           HB2      PRO  69  -3.910  -0.837  -0.837
  532   1HG   PRO  69           HG1      PRO  69  -2.867  -2.101  -2.101
  533   2HG   PRO  69           HG2      PRO  69  -3.177  -0.390  -0.390
  534   1HD   PRO  69           HD1      PRO  69  -4.896  -1.971  -1.971
  535   2HD   PRO  69           HD2      PRO  69  -5.422  -0.581  -0.581
  536    H    ASN  70           HN       ASN  70  -4.552  -4.260  -4.260
  537    HA   ASN  70           HA       ASN  70  -2.634  -6.110  -6.110
  538   1HB   ASN  70           HB1      ASN  70  -4.605  -6.741  -6.741
  539   2HB   ASN  70           HB2      ASN  70  -2.919  -7.233  -7.233
  540   1HD2  ASN  70          HD22      ASN  70  -1.877  -4.684  -4.684
  541   2HD2  ASN  70          HD21      ASN  70  -1.733  -6.312  -6.312
  542    H    VAL  71           HN       VAL  71  -4.038  -6.248  -6.248
  543    HA   VAL  71           HA       VAL  71  -5.510  -8.785  -8.785
  544    HB   VAL  71           HB       VAL  71  -7.233  -8.066  -8.066
  545   1HG1  VAL  71          HG21      VAL  71  -6.622  -6.238  -6.238
  546   2HG1  VAL  71          HG23      VAL  71  -7.982  -5.856  -5.856
  547   3HG1  VAL  71          HG22      VAL  71  -7.940  -7.395  -7.395
  548   1HG2  VAL  71          HG12      VAL  71  -5.337  -5.919  -5.919
  549   2HG2  VAL  71          HG11      VAL  71  -6.542  -6.716  -6.716
  550   3HG2  VAL  71          HG13      VAL  71  -7.028  -5.420  -5.420
  551    H    GLN  72           HN       GLN  72  -4.773 -10.260 -10.260
  552    HA   GLN  72           HA       GLN  72  -3.351  -9.346  -9.346
  553   1HB   GLN  72           HB1      GLN  72  -2.477 -11.907 -11.907
  554   2HB   GLN  72           HB2      GLN  72  -1.532 -10.641 -10.641
  555   1HG   GLN  72           HG1      GLN  72  -1.681  -9.290  -9.290
  556   2HG   GLN  72           HG2      GLN  72  -2.630 -10.559 -10.559
  557   1HE2  GLN  72          HE22      GLN  72   0.967 -10.805 -10.805
  558   2HE2  GLN  72          HE21      GLN  72  -0.198  -9.529  -9.529
  559    H    ASP  73           HN       ASP  73  -3.922 -10.307 -10.307
  560    HA   ASP  73           HA       ASP  73  -5.628 -12.703 -12.703
  561   1HB   ASP  73           HB2      ASP  73  -6.066 -10.915 -10.915
  562   2HB   ASP  73           HB1      ASP  73  -6.543 -10.247 -10.247
  563    H    ALA  74           HN       ALA  74  -3.268 -10.858 -10.858
  564    HA   ALA  74           HA       ALA  74  -3.002 -12.792 -12.792
  565   1HB   ALA  74           HB2      ALA  74  -1.797 -10.220 -10.220
  566   2HB   ALA  74           HB1      ALA  74  -0.692 -11.341 -11.341
  567   3HB   ALA  74           HB3      ALA  74  -2.208 -10.890 -10.890
  568    H    SER  75           HN       SER  75  -2.823 -14.593 -14.593
  569    HA   SER  75           HA       SER  75  -1.608 -16.211 -16.211
  570   1HB   SER  75           HB1      SER  75   0.360 -16.893 -16.893
  571   2HB   SER  75           HB2      SER  75  -0.509 -16.021 -16.021
  572    HG   SER  75           HG       SER  75   1.869 -15.430 -15.430
  573    H    GLY  76           HN       GLY  76  -1.568 -13.337 -13.337
  574   1HA   GLY  76           HA1      GLY  76  -0.844 -12.892 -12.892
  575   2HA   GLY  76           HA2      GLY  76   0.643 -13.755 -13.755
  576    H    THR  77           HN       THR  77  -1.145 -11.069 -11.069
  577    HA   THR  77           HA       THR  77   1.244  -9.398  -9.398
  578    HB   THR  77           HB       THR  77  -0.226  -9.971  -9.971
  579    HG1  THR  77           HG1      THR  77   1.663 -10.742 -10.742
  580   1HG2  THR  77          HG23      THR  77   1.697  -7.717  -7.717
  581   2HG2  THR  77          HG22      THR  77   1.144  -8.246  -8.246
  582   3HG2  THR  77          HG21      THR  77  -0.005  -7.570  -7.570
  583    H    SER  78           HN       SER  78   0.402  -7.969  -7.969
  584    HA   SER  78           HA       SER  78  -2.270  -7.010  -7.010
  585   1HB   SER  78           HB2      SER  78  -0.286  -5.299  -5.299
  586   2HB   SER  78           HB1      SER  78  -1.777  -6.011  -6.011
  587    HG   SER  78           HG       SER  78   0.784  -7.183  -7.183
  588    HA   PRO  79           HA       PRO  79  -2.220  -3.500  -3.500
  589   1HB   PRO  79           HB1      PRO  79  -2.718  -1.609  -1.609
  590   2HB   PRO  79           HB2      PRO  79  -3.715  -1.973  -1.973
  591   1HG   PRO  79           HG2      PRO  79  -4.411  -2.808  -2.808
  592   2HG   PRO  79           HG1      PRO  79  -4.707  -3.805  -3.805
  593   1HD   PRO  79           HD1      PRO  79  -2.548  -4.043  -4.043
  594   2HD   PRO  79           HD2      PRO  79  -3.492  -5.320  -5.320
  595    H    VAL  80           HN       VAL  80  -0.453  -2.993  -2.993
  596    HA   VAL  80           HA       VAL  80   1.040  -0.764  -0.764
  597    HB   VAL  80           HB       VAL  80   2.801  -1.914  -1.914
  598   1HG1  VAL  80          HG21      VAL  80   0.770  -0.237  -0.237
  599   2HG1  VAL  80          HG23      VAL  80   0.261  -1.600  -1.600
  600   3HG1  VAL  80          HG22      VAL  80   1.831  -0.845  -0.845
  601   1HG2  VAL  80          HG13      VAL  80   1.041  -4.061  -4.061
  602   2HG2  VAL  80          HG12      VAL  80   2.426  -3.994  -3.994
  603   3HG2  VAL  80          HG11      VAL  80   0.822  -3.551  -3.551
  604    H    HIS  81           HN       HIS  81   1.596  -4.156  -4.156
  605    HA   HIS  81           HA       HIS  81   4.198  -3.930  -3.930
  606   1HB   HIS  81           HB1      HIS  81   1.942  -5.833  -5.833
  607   2HB   HIS  81           HB2      HIS  81   3.490  -5.969  -5.969
  608    HD2  HIS  81           HD2      HIS  81   5.650  -6.764  -6.764
  609    HE1  HIS  81           HE1      HIS  81   3.213  -7.848  -7.848
  610    HE2  HIS  81           HE2      HIS  81   5.578  -7.817  -7.817
  611    H    ASP  82           HN       ASP  82   1.229  -4.208  -4.208
  612    HA   ASP  82           HA       ASP  82   2.394  -3.455  -3.455
  613   1HB   ASP  82           HB2      ASP  82   0.068  -2.989  -2.989
  614   2HB   ASP  82           HB1      ASP  82  -0.472  -3.159  -3.159
  615    H    ALA  83           HN       ALA  83   0.941  -1.494  -1.494
  616    HA   ALA  83           HA       ALA  83   0.691   0.935   0.935
  617   1HB   ALA  83           HB3      ALA  83   0.224   0.139   0.139
  618   2HB   ALA  83           HB2      ALA  83   1.737   1.001   1.001
  619   3HB   ALA  83           HB1      ALA  83   0.361   1.841   1.841
  620    H    ALA  84           HN       ALA  84   3.564  -0.461  -0.461
  621    HA   ALA  84           HA       ALA  84   5.226   1.802   1.802
  622   1HB   ALA  84           HB1      ALA  84   5.657   0.095   0.095
  623   2HB   ALA  84           HB3      ALA  84   6.067  -1.054  -1.054
  624   3HB   ALA  84           HB2      ALA  84   7.050   0.391   0.391
  625    H    ARG  85           HN       ARG  85   5.127  -1.398  -1.398
  626    HA   ARG  85           HA       ARG  85   6.977  -0.789  -0.789
  627   1HB   ARG  85           HB1      ARG  85   6.493  -3.076  -3.076
  628   2HB   ARG  85           HB2      ARG  85   4.768  -2.831  -2.831
  629   1HG   ARG  85           HG1      ARG  85   4.981  -3.379  -3.379
  630   2HG   ARG  85           HG2      ARG  85   6.102  -2.037  -2.037
  631   1HD   ARG  85           HD1      ARG  85   7.974  -3.373  -3.373
  632   2HD   ARG  85           HD2      ARG  85   7.023  -4.629  -4.629
  633    HE   ARG  85           HE       ARG  85   6.034  -4.702  -4.702
  634   1HH1  ARG  85          HH21      ARG  85   9.319  -4.604  -4.604
  635   2HH1  ARG  85          HH22      ARG  85   9.954  -5.493  -5.493
  636   1HH2  ARG  85          HH11      ARG  85   6.859  -5.876  -5.876
  637   2HH2  ARG  85          HH12      ARG  85   8.556  -6.215  -6.215
  638    H    THR  86           HN       THR  86   3.584  -0.101  -0.101
  639    HA   THR  86           HA       THR  86   3.077   0.420   0.420
  640    HB   THR  86           HB       THR  86   1.067   1.674   1.674
  641    HG1  THR  86           HG1      THR  86   0.692   1.408   1.408
  642   1HG2  THR  86          HG21      THR  86   1.637  -1.174  -1.174
  643   2HG2  THR  86          HG23      THR  86   0.364  -0.606  -0.606
  644   3HG2  THR  86          HG22      THR  86   0.227  -0.343  -0.343
  645    H    GLY  87           HN       GLY  87   3.038   2.778   2.778
  646   1HA   GLY  87           HA2      GLY  87   4.819   4.586   4.586
  647   2HA   GLY  87           HA1      GLY  87   4.124   4.767   4.767
  648    H    PHE  88           HN       PHE  88   3.042   4.642   4.642
  649    HA   PHE  88           HA       PHE  88   1.488   7.083   7.083
  650   1HB   PHE  88           HB2      PHE  88   0.463   4.535   4.535
  651   2HB   PHE  88           HB1      PHE  88  -0.350   6.089   6.089
  652    HD1  PHE  88           HD2      PHE  88   0.011   7.170   7.170
  653    HD2  PHE  88           HD1      PHE  88  -1.039   3.261   3.261
  654    HE1  PHE  88           HE2      PHE  88  -1.180   6.766   6.766
  655    HE2  PHE  88           HE1      PHE  88  -2.230   2.849   2.849
  656    HZ   PHE  88           HZ       PHE  88  -2.303   4.603   4.603
  657    H    LEU  89           HN       LEU  89   3.897   7.182   7.182
  658    HA   LEU  89           HA       LEU  89   4.212   6.710   6.710
  659   1HB   LEU  89           HB1      LEU  89   6.033   7.462   7.462
  660   2HB   LEU  89           HB2      LEU  89   5.252   9.012   9.012
  661    HG   LEU  89           HG       LEU  89   7.168   9.022   9.022
  662   1HD1  LEU  89          HD13      LEU  89   5.071  10.589  10.589
  663   2HD1  LEU  89          HD12      LEU  89   4.706   9.806   9.806
  664   3HD1  LEU  89          HD11      LEU  89   6.225  10.677  10.677
  665   1HD2  LEU  89          HD21      LEU  89   5.938   6.781   6.781
  666   2HD2  LEU  89          HD23      LEU  89   7.238   7.696   7.696
  667   3HD2  LEU  89          HD22      LEU  89   5.559   8.033   8.033
  668    H    ASP  90           HN       ASP  90   2.784   9.587   9.587
  669    HA   ASP  90           HA       ASP  90   2.412  11.152  11.152
  670   1HB   ASP  90           HB2      ASP  90   0.336  12.011  12.011
  671   2HB   ASP  90           HB1      ASP  90   0.777  10.854  10.854
  672    H    THR  91           HN       THR  91  -0.156   9.147   9.147
  673    HA   THR  91           HA       THR  91  -1.805   9.263   9.263
  674    HB   THR  91           HB       THR  91  -1.775   7.438   7.438
  675    HG1  THR  91           HG1      THR  91  -2.525   9.823   9.823
  676   1HG2  THR  91          HG23      THR  91  -3.503   7.308   7.308
  677   2HG2  THR  91          HG22      THR  91  -4.231   7.041   7.041
  678   3HG2  THR  91          HG21      THR  91  -2.904   6.014   6.014
  679    H    LEU  92           HN       LEU  92   0.458   6.806   6.806
  680    HA   LEU  92           HA       LEU  92  -0.005   4.821   4.821
  681   1HB   LEU  92           HB1      LEU  92   1.532   4.688   4.688
  682   2HB   LEU  92           HB2      LEU  92   2.708   5.606   5.606
  683    HG   LEU  92           HG       LEU  92   2.893   3.819   3.819
  684   1HD1  LEU  92          HD21      LEU  92   0.675   2.571   2.571
  685   2HD1  LEU  92          HD23      LEU  92   1.721   1.630   1.630
  686   3HD1  LEU  92          HD22      LEU  92   0.722   2.924   2.924
  687   1HD2  LEU  92          HD12      LEU  92   4.293   3.716   3.716
  688   2HD2  LEU  92          HD11      LEU  92   3.905   2.110   2.110
  689   3HD2  LEU  92          HD13      LEU  92   3.062   2.738   2.738
  690    H    LYS  93           HN       LYS  93   2.215   7.587   7.587
  691    HA   LYS  93           HA       LYS  93   3.334   7.115   7.115
  692   1HB   LYS  93           HB1      LYS  93   3.804   8.999   8.999
  693   2HB   LYS  93           HB2      LYS  93   2.541   9.884   9.884
  694   1HG   LYS  93           HG2      LYS  93   4.075  10.586  10.586
  695   2HG   LYS  93           HG1      LYS  93   4.252   8.923   8.923
  696   1HD   LYS  93           HD1      LYS  93   6.418   9.431   9.431
  697   2HD   LYS  93           HD2      LYS  93   5.809   8.688   8.688
  698   1HE   LYS  93           HE1      LYS  93   7.019  10.684  10.684
  699   2HE   LYS  93           HE2      LYS  93   5.302  10.946  10.946
  700   1HZ   LYS  93           HZ2      LYS  93   6.375  11.732  11.732
  701   2HZ   LYS  93           HZ1      LYS  93   6.745  12.704  12.704
  702   3HZ   LYS  93           HZ3      LYS  93   5.130  12.429  12.429
  703    H    VAL  94           HN       VAL  94   0.161   8.354   8.354
  704    HA   VAL  94           HA       VAL  94  -0.455   9.225   9.225
  705    HB   VAL  94           HB       VAL  94  -1.581   9.689   9.689
  706   1HG1  VAL  94          HG11      VAL  94  -3.444   7.870   7.870
  707   2HG1  VAL  94          HG13      VAL  94  -3.967   8.971   8.971
  708   3HG1  VAL  94          HG12      VAL  94  -2.840   7.669   7.669
  709   1HG2  VAL  94          HG23      VAL  94  -1.665  10.794  10.794
  710   2HG2  VAL  94          HG22      VAL  94  -2.661  11.330  11.330
  711   3HG2  VAL  94          HG21      VAL  94  -3.331  10.234  10.234
  712    H    LEU  95           HN       LEU  95  -1.596   6.448   6.448
  713    HA   LEU  95           HA       LEU  95  -2.912   5.244   5.244
  714   1HB   LEU  95           HB1      LEU  95  -3.433   3.442   3.442
  715   2HB   LEU  95           HB2      LEU  95  -3.601   4.932   4.932
  716    HG   LEU  95           HG       LEU  95  -1.151   4.402   4.402
  717   1HD1  LEU  95          HD21      LEU  95  -1.680   2.166   2.166
  718   2HD1  LEU  95          HD23      LEU  95  -1.737   1.597   1.597
  719   3HD1  LEU  95          HD22      LEU  95  -0.300   2.426   2.426
  720   1HD2  LEU  95          HD11      LEU  95  -3.778   3.507   3.507
  721   2HD2  LEU  95          HD13      LEU  95  -2.510   4.412   4.412
  722   3HD2  LEU  95          HD12      LEU  95  -2.395   2.656   2.656
  723    H    VAL  96           HN       VAL  96   0.086   4.501   4.501
  724    HA   VAL  96           HA       VAL  96   0.782   2.226   2.226
  725    HB   VAL  96           HB       VAL  96   1.914   3.687   3.687
  726   1HG1  VAL  96          HG13      VAL  96   3.288   4.843   4.843
  727   2HG1  VAL  96          HG12      VAL  96   4.058   3.281   3.281
  728   3HG1  VAL  96          HG11      VAL  96   4.191   4.055   4.055
  729   1HG2  VAL  96          HG21      VAL  96   2.291   1.087   1.087
  730   2HG2  VAL  96          HG23      VAL  96   1.999   1.482   1.482
  731   3HG2  VAL  96          HG22      VAL  96   3.624   1.632   1.632
  732    H    GLU  97           HN       GLU  97   1.349   5.636   5.636
  733    HA   GLU  97           HA       GLU  97   3.133   5.146   5.146
  734   1HB   GLU  97           HB2      GLU  97   3.041   7.473   7.473
  735   2HB   GLU  97           HB1      GLU  97   2.946   7.303   7.303
  736   1HG   GLU  97           HG1      GLU  97   1.173   8.632   8.632
  737   2HG   GLU  97           HG2      GLU  97   1.089   8.502   8.502
  738    H    HIS  98           HN       HIS  98  -0.316   5.320   5.320
  739    HA   HIS  98           HA       HIS  98  -1.120   5.857   5.857
  740   1HB   HIS  98           HB1      HIS  98  -2.407   5.266   5.266
  741   2HB   HIS  98           HB2      HIS  98  -2.717   3.813   3.813
  742    HD2  HIS  98           HD2      HIS  98  -5.186   4.125   4.125
  743    HE1  HIS  98           HE1      HIS  98  -4.775   8.145   8.145
  744    HE2  HIS  98           HE2      HIS  98  -6.237   6.075   6.075
  745    H    GLY  99           HN       GLY  99  -0.060   2.829   2.829
  746   1HA   GLY  99           HA1      GLY  99   1.021   1.644   1.644
  747   2HA   GLY  99           HA2      GLY  99  -0.688   1.286   1.286
  748    H    ALA 100           HN       ALA 100  -0.803   1.293   1.293
  749    HA   ALA 100           HA       ALA 100  -1.065  -1.280  -1.280
  750   1HB   ALA 100           HB2      ALA 100  -0.841   0.990   0.990
  751   2HB   ALA 100           HB1      ALA 100   0.518   0.028   0.028
  752   3HB   ALA 100           HB3      ALA 100  -1.117  -0.629  -0.629
  753    H    ASP 101           HN       ASP 101   0.104  -3.020  -3.020
  754    HA   ASP 101           HA       ASP 101   2.720  -3.139  -3.139
  755   1HB   ASP 101           HB1      ASP 101   1.792  -5.429  -5.429
  756   2HB   ASP 101           HB2      ASP 101   0.772  -4.975  -4.975
  757    H    VAL 102           HN       VAL 102   4.494  -2.464  -2.464
  758    HA   VAL 102           HA       VAL 102   4.683  -2.721  -2.721
  759    HB   VAL 102           HB       VAL 102   6.301  -0.970  -0.970
  760   1HG1  VAL 102          HG12      VAL 102   3.826  -0.425  -0.425
  761   2HG1  VAL 102          HG11      VAL 102   4.283  -0.039  -0.039
  762   3HG1  VAL 102          HG13      VAL 102   4.997   0.854   0.854
  763   1HG2  VAL 102          HG21      VAL 102   7.444  -1.756  -1.756
  764   2HG2  VAL 102          HG23      VAL 102   7.276  -0.007  -0.007
  765   3HG2  VAL 102          HG22      VAL 102   6.198  -0.907  -0.907
  766    H    ASN 103           HN       ASN 103   5.203  -4.861  -4.861
  767    HA   ASN 103           HA       ASN 103   8.012  -5.394  -5.394
  768   1HB   ASN 103           HB1      ASN 103   6.866  -6.738  -6.738
  769   2HB   ASN 103           HB2      ASN 103   8.505  -6.166  -6.166
  770   1HD2  ASN 103          HD22      ASN 103   7.606  -2.748  -2.748
  771   2HD2  ASN 103          HD21      ASN 103   8.357  -3.600  -3.600
  772    H    ALA 104           HN       ALA 104   4.785  -6.703  -6.703
  773    HA   ALA 104           HA       ALA 104   5.083  -9.375  -9.375
  774   1HB   ALA 104           HB2      ALA 104   2.998  -7.457  -7.457
  775   2HB   ALA 104           HB1      ALA 104   2.922  -9.109  -9.109
  776   3HB   ALA 104           HB3      ALA 104   2.886  -8.812  -8.812
  777    H    LEU 105           HN       LEU 105   5.307 -10.828 -10.828
  778    HA   LEU 105           HA       LEU 105   6.186  -9.681  -9.681
  779   1HB   LEU 105           HB1      LEU 105   7.281 -12.301 -12.301
  780   2HB   LEU 105           HB2      LEU 105   8.029 -11.020 -11.020
  781    HG   LEU 105           HG       LEU 105   7.526 -10.468 -10.468
  782   1HD1  LEU 105          HD13      LEU 105   8.457 -12.870 -12.870
  783   2HD1  LEU 105          HD12      LEU 105   9.955 -12.041 -12.041
  784   3HD1  LEU 105          HD11      LEU 105   9.224 -11.783 -11.783
  785   1HD2  LEU 105          HD22      LEU 105   9.493  -9.730  -9.730
  786   2HD2  LEU 105          HD21      LEU 105   8.579  -8.700  -8.700
  787   3HD2  LEU 105          HD23      LEU 105   9.967  -9.611  -9.611
  788    H    ASP 106           HN       ASP 106   6.615 -12.403 -12.403
  789    HA   ASP 106           HA       ASP 106   3.912 -13.480 -13.480
  790   1HB   ASP 106           HB2      ASP 106   3.961 -11.958 -11.958
  791   2HB   ASP 106           HB1      ASP 106   5.485 -12.642 -12.642
  792    H    SER 107           HN       SER 107   6.763 -14.054 -14.054
  793    HA   SER 107           HA       SER 107   6.996 -16.731 -16.731
  794   1HB   SER 107           HB2      SER 107   6.190 -17.468 -17.468
  795   2HB   SER 107           HB1      SER 107   6.606 -15.973 -15.973
  796    HG   SER 107           HG       SER 107   7.899 -18.268 -18.268
  797    H    THR 108           HN       THR 108   8.690 -14.511 -14.511
  798    HA   THR 108           HA       THR 108  11.266 -15.510 -15.510
  799    HB   THR 108           HB       THR 108  11.606 -12.839 -12.839
  800    HG1  THR 108           HG1      THR 108   9.666 -12.295 -12.295
  801   1HG2  THR 108          HG21      THR 108  12.366 -15.200 -15.200
  802   2HG2  THR 108          HG23      THR 108  11.152 -14.729 -14.729
  803   3HG2  THR 108          HG22      THR 108  12.520 -13.667 -13.667
  804    H    GLY 109           HN       GLY 109   9.178 -13.677 -13.677
  805   1HA   GLY 109           HA2      GLY 109   9.453 -12.838 -12.838
  806   2HA   GLY 109           HA1      GLY 109  11.106 -13.433 -13.433
  807    H    SER 110           HN       SER 110  10.207 -11.413 -11.413
  808    HA   SER 110           HA       SER 110  12.092  -9.406  -9.406
  809   1HB   SER 110           HB1      SER 110  11.450 -10.266 -10.266
  810   2HB   SER 110           HB2      SER 110  10.224  -9.002  -9.002
  811    HG   SER 110           HG       SER 110  12.306  -8.364  -8.364
  812    H    LEU 111           HN       LEU 111  11.687  -7.671  -7.671
  813    HA   LEU 111           HA       LEU 111   9.063  -7.046  -7.046
  814   1HB   LEU 111           HB1      LEU 111  11.706  -6.424  -6.424
  815   2HB   LEU 111           HB2      LEU 111  10.925  -4.891  -4.891
  816    HG   LEU 111           HG       LEU 111   9.028  -5.971  -5.971
  817   1HD1  LEU 111          HD22      LEU 111  11.372  -7.648  -7.648
  818   2HD1  LEU 111          HD21      LEU 111  10.784  -6.930  -6.930
  819   3HD1  LEU 111          HD23      LEU 111   9.700  -7.901  -7.901
  820   1HD2  LEU 111          HD13      LEU 111  10.533  -3.857  -3.857
  821   2HD2  LEU 111          HD12      LEU 111   9.704  -4.501  -4.501
  822   3HD2  LEU 111          HD11      LEU 111  11.416  -4.843  -4.843
  823    HA   PRO 112           HA       PRO 112   7.359  -4.165  -4.165
  824   1HB   PRO 112           HB2      PRO 112   7.410  -2.171  -2.171
  825   2HB   PRO 112           HB1      PRO 112   6.078  -2.630  -2.630
  826   1HG   PRO 112           HG1      PRO 112   6.175  -3.531  -3.531
  827   2HG   PRO 112           HG2      PRO 112   5.631  -4.581  -4.581
  828   1HD   PRO 112           HD2      PRO 112   8.218  -4.577  -4.577
  829   2HD   PRO 112           HD1      PRO 112   7.317  -5.937  -5.937
  830    H    ILE 113           HN       ILE 113   9.885  -2.867  -2.867
  831    HA   ILE 113           HA       ILE 113  10.614  -0.720  -0.720
  832    HB   ILE 113           HB       ILE 113  11.131  -0.764  -0.764
  833   1HG1  ILE 113          HG11      ILE 113  13.274  -0.339  -0.339
  834   2HG1  ILE 113          HG12      ILE 113  12.371   0.856   0.856
  835   1HG2  ILE 113          HG22      ILE 113  11.800  -3.203  -3.203
  836   2HG2  ILE 113          HG21      ILE 113  13.352  -2.672  -2.672
  837   3HG2  ILE 113          HG23      ILE 113  12.828  -2.128  -2.128
  838   1HD1  ILE 113          HD13      ILE 113  13.614  -0.056  -0.056
  839   2HD1  ILE 113          HD12      ILE 113  14.687  -0.828  -0.828
  840   3HD1  ILE 113          HD11      ILE 113  14.519   0.928   0.928
  841    H    HIS 114           HN       HIS 114  11.840  -4.005  -4.005
  842    HA   HIS 114           HA       HIS 114  14.136  -3.900  -3.900
  843   1HB   HIS 114           HB1      HIS 114  12.166  -6.110  -6.110
  844   2HB   HIS 114           HB2      HIS 114  13.562  -6.375  -6.375
  845    HD2  HIS 114           HD2      HIS 114  16.037  -5.408  -5.408
  846    HE1  HIS 114           HE1      HIS 114  14.400  -7.106  -7.106
  847    HE2  HIS 114           HE2      HIS 114  16.464  -6.064  -6.064
  848    H    LEU 115           HN       LEU 115  10.785  -4.255  -4.255
  849    HA   LEU 115           HA       LEU 115  11.390  -4.746  -4.746
  850   1HB   LEU 115           HB1      LEU 115   8.793  -3.593  -3.593
  851   2HB   LEU 115           HB2      LEU 115   9.079  -4.686  -4.686
  852    HG   LEU 115           HG       LEU 115   9.345  -5.444  -5.444
  853   1HD1  LEU 115          HD11      LEU 115   7.006  -4.947  -4.947
  854   2HD1  LEU 115          HD13      LEU 115   7.217  -6.688  -6.688
  855   3HD1  LEU 115          HD12      LEU 115   7.181  -5.978  -5.978
  856   1HD2  LEU 115          HD21      LEU 115  10.440  -6.644  -6.644
  857   2HD2  LEU 115          HD23      LEU 115  10.143  -7.414  -7.414
  858   3HD2  LEU 115          HD22      LEU 115   8.951  -7.552  -7.552
  859    H    ALA 116           HN       ALA 116  10.237  -1.896  -1.896
  860    HA   ALA 116           HA       ALA 116  10.078  -0.099  -0.099
  861   1HB   ALA 116           HB3      ALA 116  10.916   0.429   0.429
  862   2HB   ALA 116           HB2      ALA 116  10.427   1.663   1.663
  863   3HB   ALA 116           HB1      ALA 116   9.269   0.441   0.441
  864    H    ILE 117           HN       ILE 117  12.887  -1.168  -1.168
  865    HA   ILE 117           HA       ILE 117  14.737   0.716   0.716
  866    HB   ILE 117           HB       ILE 117  15.154  -2.104  -2.104
  867   1HG1  ILE 117          HG11      ILE 117  15.790   0.518   0.518
  868   2HG1  ILE 117          HG12      ILE 117  14.258  -0.324  -0.324
  869   1HG2  ILE 117          HG21      ILE 117  17.004  -0.262  -0.262
  870   2HG2  ILE 117          HG23      ILE 117  17.537  -0.760  -0.760
  871   3HG2  ILE 117          HG22      ILE 117  17.189  -1.976  -1.976
  872   1HD1  ILE 117          HD11      ILE 117  16.525  -2.067  -2.067
  873   2HD1  ILE 117          HD13      ILE 117  16.541  -0.657  -0.657
  874   3HD1  ILE 117          HD12      ILE 117  15.137  -1.724  -1.724
  875    H    ARG 118           HN       ARG 118  13.820  -2.505  -2.505
  876    HA   ARG 118           HA       ARG 118  15.659  -2.463  -2.463
  877   1HB   ARG 118           HB1      ARG 118  14.648  -4.508  -4.508
  878   2HB   ARG 118           HB2      ARG 118  14.715  -4.538  -4.538
  879   1HG   ARG 118           HG1      ARG 118  12.488  -4.588  -4.588
  880   2HG   ARG 118           HG2      ARG 118  12.235  -3.441  -3.441
  881   1HD   ARG 118           HD1      ARG 118  11.616  -5.125  -5.125
  882   2HD   ARG 118           HD2      ARG 118  13.244  -5.789  -5.789
  883    HE   ARG 118           HE       ARG 118  10.888  -6.815  -6.815
  884   1HH1  ARG 118          HH21      ARG 118  14.302  -6.383  -6.383
  885   2HH1  ARG 118          HH22      ARG 118  14.440  -7.732  -7.732
  886   1HH2  ARG 118          HH11      ARG 118  11.055  -8.589  -8.589
  887   2HH2  ARG 118          HH12      ARG 118  12.591  -8.986  -8.986
  888    H    GLU 119           HN       GLU 119  12.781  -0.856  -0.856
  889    HA   GLU 119           HA       GLU 119  11.961  -0.760  -0.760
  890   1HB   GLU 119           HB1      GLU 119  10.542  -0.658  -0.658
  891   2HB   GLU 119           HB2      GLU 119  10.593   1.032   1.032
  892   1HG   GLU 119           HG1      GLU 119   8.771   0.515   0.515
  893   2HG   GLU 119           HG2      GLU 119   9.921  -0.150  -0.150
  894    H    GLY 120           HN       GLY 120  12.737   1.617   1.617
  895   1HA   GLY 120           HA2      GLY 120  14.293   3.389   3.389
  896   2HA   GLY 120           HA1      GLY 120  14.111   3.230   3.230
  897    H    HIS 121           HN       HIS 121  11.577   3.534   3.534
  898    HA   HIS 121           HA       HIS 121  10.358   5.669   5.669
  899   1HB   HIS 121           HB2      HIS 121   9.577   3.949   3.949
  900   2HB   HIS 121           HB1      HIS 121   8.840   5.547   5.547
  901    HD2  HIS 121           HD2      HIS 121   7.897   2.201   2.201
  902    HE1  HIS 121           HE1      HIS 121   6.448   4.670   4.670
  903    HE2  HIS 121           HE2      HIS 121   6.464   2.323   2.323
  904    H    SER 122           HN       SER 122  12.839   5.593   5.593
  905    HA   SER 122           HA       SER 122  13.946   7.192   7.192
  906   1HB   SER 122           HB2      SER 122  12.120   8.777   8.777
  907   2HB   SER 122           HB1      SER 122  12.799   9.614   9.614
  908    HG   SER 122           HG       SER 122  14.082   8.559   8.559
  909    H    SER 123           HN       SER 123  10.793   8.770   8.770
  910    HA   SER 123           HA       SER 123  10.865   9.224   9.224
  911   1HB   SER 123           HB2      SER 123   8.199   8.772   8.772
  912   2HB   SER 123           HB1      SER 123   8.767  10.112  10.112
  913    HG   SER 123           HG       SER 123   9.205  11.157  11.157
  914    H    VAL 124           HN       VAL 124   9.130   6.634   6.634
  915    HA   VAL 124           HA       VAL 124   8.070   5.329   5.329
  916    HB   VAL 124           HB       VAL 124   8.948   4.226   4.226
  917   1HG1  VAL 124          HG13      VAL 124   8.984   2.472   2.472
  918   2HG1  VAL 124          HG12      VAL 124   7.285   2.816   2.816
  919   3HG1  VAL 124          HG11      VAL 124   7.773   2.191   2.191
  920   1HG2  VAL 124          HG21      VAL 124   6.355   5.182   5.182
  921   2HG2  VAL 124          HG23      VAL 124   7.140   5.652   5.652
  922   3HG2  VAL 124          HG22      VAL 124   6.386   4.065   4.065
  923    H    VAL 125           HN       VAL 125  11.034   4.388   4.388
  924    HA   VAL 125           HA       VAL 125  11.898   2.399   2.399
  925    HB   VAL 125           HB       VAL 125  13.834   4.305   4.305
  926   1HG1  VAL 125          HG11      VAL 125  14.665   2.451   2.451
  927   2HG1  VAL 125          HG13      VAL 125  13.917   1.309   1.309
  928   3HG1  VAL 125          HG12      VAL 125  15.219   2.361   2.361
  929   1HG2  VAL 125          HG22      VAL 125  11.845   2.543   2.543
  930   2HG2  VAL 125          HG21      VAL 125  12.621   4.009   4.009
  931   3HG2  VAL 125          HG23      VAL 125  13.485   2.472   2.472
  932    H    SER 126           HN       SER 126  13.075   5.771   5.771
  933    HA   SER 126           HA       SER 126  14.509   5.534   5.534
  934   1HB   SER 126           HB2      SER 126  15.202   7.434   7.434
  935   2HB   SER 126           HB1      SER 126  13.618   7.739   7.739
  936    HG   SER 126           HG       SER 126  13.075   8.920   8.920
  937    H    PHE 127           HN       PHE 127  11.154   6.095   6.095
  938    HA   PHE 127           HA       PHE 127  10.513   7.125   7.125
  939   1HB   PHE 127           HB2      PHE 127   9.038   7.625   7.625
  940   2HB   PHE 127           HB1      PHE 127   8.791   5.913   5.913
  941    HD1  PHE 127           HD1      PHE 127   8.763   7.666   7.666
  942    HD2  PHE 127           HD2      PHE 127   6.505   5.614   5.614
  943    HE1  PHE 127           HE1      PHE 127   6.804   7.663   7.663
  944    HE2  PHE 127           HE2      PHE 127   4.540   5.608   5.608
  945    HZ   PHE 127           HZ       PHE 127   4.693   6.630   6.630
  946    H    LEU 128           HN       LEU 128  10.050   3.955   3.955
  947    HA   LEU 128           HA       LEU 128   9.011   2.690   2.690
  948   1HB   LEU 128           HB2      LEU 128   9.337   2.031   2.031
  949   2HB   LEU 128           HB1      LEU 128  10.419   0.923   0.923
  950    HG   LEU 128           HG       LEU 128   8.008   0.157   0.157
  951   1HD1  LEU 128          HD12      LEU 128   9.645  -0.127  -0.127
  952   2HD1  LEU 128          HD11      LEU 128   7.972  -0.673  -0.673
  953   3HD1  LEU 128          HD13      LEU 128   9.034  -1.352  -1.352
  954   1HD2  LEU 128          HD23      LEU 128   7.351   2.488   2.488
  955   2HD2  LEU 128          HD22      LEU 128   6.274   1.106   1.106
  956   3HD2  LEU 128          HD21      LEU 128   7.173   1.311   1.311
  957    H    ALA 129           HN       ALA 129  12.093   3.797   3.797
  958    HA   ALA 129           HA       ALA 129  13.760   1.786   1.786
  959   1HB   ALA 129           HB1      ALA 129  13.980   4.597   4.597
  960   2HB   ALA 129           HB3      ALA 129  14.896   4.184   4.184
  961   3HB   ALA 129           HB2      ALA 129  15.210   3.334   3.334
  962    HA   PRO 130           HA       PRO 130  13.485   3.577   3.577
  963   1HB   PRO 130           HB2      PRO 130  11.940   5.760   5.760
  964   2HB   PRO 130           HB1      PRO 130  13.630   5.870   5.870
  965   1HG   PRO 130           HG2      PRO 130  11.139   6.116   6.116
  966   2HG   PRO 130           HG1      PRO 130  12.614   7.100   7.100
  967   1HD   PRO 130           HD2      PRO 130  12.114   5.128   5.128
  968   2HD   PRO 130           HD1      PRO 130  13.757   5.551   5.551
  969    H    GLU 131           HN       GLU 131  10.548   3.752   3.752
  970    HA   GLU 131           HA       GLU 131   8.724   3.224   3.224
  971   1HB   GLU 131           HB1      GLU 131   8.535   2.896   2.896
  972   2HB   GLU 131           HB2      GLU 131   7.198   2.522   2.522
  973   1HG   GLU 131           HG2      GLU 131   8.191   5.114   5.114
  974   2HG   GLU 131           HG1      GLU 131   7.917   5.013   5.013
  975    H    SER 132           HN       SER 132  10.940   1.260   1.260
  976    HA   SER 132           HA       SER 132   9.614  -1.171  -1.171
  977   1HB   SER 132           HB2      SER 132  11.180  -0.651  -0.651
  978   2HB   SER 132           HB1      SER 132  11.183  -2.269  -2.269
  979    HG   SER 132           HG       SER 132   9.198  -2.542  -2.542
  980    H    ASP 133           HN       ASP 133  11.034  -2.887  -2.887
  981    HA   ASP 133           HA       ASP 133  12.807  -2.195  -2.195
  982   1HB   ASP 133           HB1      ASP 133  13.261  -4.673  -4.673
  983   2HB   ASP 133           HB2      ASP 133  11.859  -4.516  -4.516
  984    H    LEU 134           HN       LEU 134  14.586  -0.995  -0.995
  985    HA   LEU 134           HA       LEU 134  16.143  -0.844  -0.844
  986   1HB   LEU 134           HB1      LEU 134  15.978   0.661   0.661
  987   2HB   LEU 134           HB2      LEU 134  17.515   0.683   0.683
  988    HG   LEU 134           HG       LEU 134  14.876   1.789   1.789
  989   1HD1  LEU 134          HD11      LEU 134  17.484   2.815   2.815
  990   2HD1  LEU 134          HD13      LEU 134  16.872   3.533   3.533
  991   3HD1  LEU 134          HD12      LEU 134  15.907   3.602   3.602
  992   1HD2  LEU 134          HD23      LEU 134  17.172   0.899   0.899
  993   2HD2  LEU 134          HD22      LEU 134  15.442   0.656   0.656
  994   3HD2  LEU 134          HD21      LEU 134  16.151   2.253   2.253
  995    H    HIS 135           HN       HIS 135  16.249  -3.397  -3.397
  996    HA   HIS 135           HA       HIS 135  19.032  -3.833  -3.833
  997   1HB   HIS 135           HB1      HIS 135  17.813  -3.220  -3.220
  998   2HB   HIS 135           HB2      HIS 135  18.132  -4.952  -4.952
  999    HD2  HIS 135           HD2      HIS 135  21.002  -5.243  -5.243
 1000    HE1  HIS 135           HE1      HIS 135  22.121  -2.076  -2.076
 1001    HE2  HIS 135           HE2      HIS 135  22.966  -3.882  -3.882
 1002    H    HIS 136           HN       HIS 136  16.633  -4.759  -4.759
 1003    HA   HIS 136           HA       HIS 136  17.037  -7.634  -7.634
 1004   1HB   HIS 136           HB2      HIS 136  14.810  -6.553  -6.553
 1005   2HB   HIS 136           HB1      HIS 136  14.277  -6.735  -6.735
 1006    HD2  HIS 136           HD2      HIS 136  13.144  -9.099  -9.099
 1007    HE1  HIS 136           HE1      HIS 136  15.042 -11.259 -11.259
 1008    HE2  HIS 136           HE2      HIS 136  13.226 -11.320 -11.320
 1009    H    ARG 137           HN       ARG 137  16.527  -8.930  -8.930
 1010    HA   ARG 137           HA       ARG 137  16.346  -7.399  -7.399
 1011   1HB   ARG 137           HB2      ARG 137  17.890  -9.754  -9.754
 1012   2HB   ARG 137           HB1      ARG 137  18.366  -8.075  -8.075
 1013   1HG   ARG 137           HG2      ARG 137  19.952  -8.746  -8.746
 1014   2HG   ARG 137           HG1      ARG 137  18.708  -8.205  -8.205
 1015   1HD   ARG 137           HD1      ARG 137  19.201 -10.254 -10.254
 1016   2HD   ARG 137           HD2      ARG 137  17.896 -10.695 -10.695
 1017    HE   ARG 137           HE       ARG 137  20.270 -10.929 -10.929
 1018   1HH1  ARG 137          HH11      ARG 137  18.754 -12.383 -12.383
 1019   2HH1  ARG 137          HH12      ARG 137  19.534 -13.915 -13.915
 1020   1HH2  ARG 137          HH21      ARG 137  21.305 -12.941 -12.941
 1021   2HH2  ARG 137          HH22      ARG 137  20.984 -14.231 -14.231
 1022    H    ASP 138           HN       ASP 138  16.281  -9.351  -9.351
 1023    HA   ASP 138           HA       ASP 138  13.700 -10.556 -10.556
 1024   1HB   ASP 138           HB2      ASP 138  13.500 -10.676 -10.676
 1025   2HB   ASP 138           HB1      ASP 138  15.160 -11.222 -11.222
 1026    H    ALA 139           HN       ALA 139  13.639 -12.879 -12.879
 1027    HA   ALA 139           HA       ALA 139  15.017 -14.647 -14.647
 1028   1HB   ALA 139           HB3      ALA 139  12.650 -14.925 -14.925
 1029   2HB   ALA 139           HB2      ALA 139  13.437 -15.520 -15.520
 1030   3HB   ALA 139           HB1      ALA 139  13.676 -16.358 -16.358
 1031    H    SER 140           HN       SER 140  15.943 -13.129 -13.129
 1032    HA   SER 140           HA       SER 140  17.581 -15.344 -15.344
 1033   1HB   SER 140           HB2      SER 140  16.199 -13.469 -13.469
 1034   2HB   SER 140           HB1      SER 140  17.780 -12.691 -12.691
 1035    HG   SER 140           HG       SER 140  18.660 -14.315 -14.315
 1036    H    GLY 141           HN       GLY 141  17.924 -12.006 -12.006
 1037   1HA   GLY 141           HA2      GLY 141  19.761 -11.755 -11.755
 1038   2HA   GLY 141           HA1      GLY 141  20.773 -12.596 -12.596
 1039    H    LEU 142           HN       LEU 142  18.926  -9.640  -9.640
 1040    HA   LEU 142           HA       LEU 142  20.951  -8.068  -8.068
 1041   1HB   LEU 142           HB2      LEU 142  18.278  -8.458  -8.458
 1042   2HB   LEU 142           HB1      LEU 142  19.236  -7.016  -7.016
 1043    HG   LEU 142           HG       LEU 142  20.013  -9.853  -9.853
 1044   1HD1  LEU 142          HD12      LEU 142  18.361  -8.603  -8.603
 1045   2HD1  LEU 142          HD11      LEU 142  19.689  -7.507  -7.507
 1046   3HD1  LEU 142          HD13      LEU 142  19.811  -9.218  -9.218
 1047   1HD2  LEU 142          HD22      LEU 142  21.627  -7.448  -7.448
 1048   2HD2  LEU 142          HD21      LEU 142  22.110  -9.143  -9.143
 1049   3HD2  LEU 142          HD23      LEU 142  21.864  -8.230  -8.230
 1050    H    THR 143           HN       THR 143  21.149  -6.602  -6.602
 1051    HA   THR 143           HA       THR 143  18.910  -5.693  -5.693
 1052    HB   THR 143           HB       THR 143  20.598  -4.183  -4.183
 1053    HG1  THR 143           HG1      THR 143  22.842  -4.856  -4.856
 1054   1HG2  THR 143          HG22      THR 143  20.295  -6.484  -6.484
 1055   2HG2  THR 143          HG21      THR 143  21.597  -7.010  -7.010
 1056   3HG2  THR 143          HG23      THR 143  21.930  -5.861  -5.861
 1057    HA   PRO 144           HA       PRO 144  17.334  -2.242  -2.242
 1058   1HB   PRO 144           HB2      PRO 144  18.013  -0.687  -0.687
 1059   2HB   PRO 144           HB1      PRO 144  16.512  -0.714  -0.714
 1060   1HG   PRO 144           HG1      PRO 144  16.706  -2.053  -2.053
 1061   2HG   PRO 144           HG2      PRO 144  15.826  -2.736  -2.736
 1062   1HD   PRO 144           HD2      PRO 144  18.488  -3.475  -3.475
 1063   2HD   PRO 144           HD1      PRO 144  17.286  -4.484  -4.484
 1064    H    LEU 145           HN       LEU 145  20.365  -1.888  -1.888
 1065    HA   LEU 145           HA       LEU 145  21.228   0.447   0.447
 1066   1HB   LEU 145           HB1      LEU 145  22.031  -0.855  -0.855
 1067   2HB   LEU 145           HB2      LEU 145  23.303  -1.289  -1.289
 1068    HG   LEU 145           HG       LEU 145  22.482   1.500   1.500
 1069   1HD1  LEU 145          HD11      LEU 145  24.026  -0.169  -0.169
 1070   2HD1  LEU 145          HD13      LEU 145  25.240   0.478   0.478
 1071   3HD1  LEU 145          HD12      LEU 145  24.315   1.569   1.569
 1072   1HD2  LEU 145          HD21      LEU 145  23.105   1.282   1.282
 1073   2HD2  LEU 145          HD23      LEU 145  24.148   2.345   2.345
 1074   3HD2  LEU 145          HD22      LEU 145  24.691   0.719   0.719
 1075    H    GLU 146           HN       GLU 146  22.029  -3.005  -3.005
 1076    HA   GLU 146           HA       GLU 146  23.864  -2.743  -2.743
 1077   1HB   GLU 146           HB2      GLU 146  22.243  -5.068  -5.068
 1078   2HB   GLU 146           HB1      GLU 146  23.348  -5.226  -5.226
 1079   1HG   GLU 146           HG2      GLU 146  24.012  -5.647  -5.647
 1080   2HG   GLU 146           HG1      GLU 146  25.154  -5.235  -5.235
 1081    H    LEU 147           HN       LEU 147  20.430  -3.712  -3.712
 1082    HA   LEU 147           HA       LEU 147  20.106  -4.135  -4.135
 1083   1HB   LEU 147           HB2      LEU 147  18.441  -3.999  -3.999
 1084   2HB   LEU 147           HB1      LEU 147  17.819  -2.759  -2.759
 1085    HG   LEU 147           HG       LEU 147  18.038  -5.719  -5.719
 1086   1HD1  LEU 147          HD11      LEU 147  15.985  -4.066  -4.066
 1087   2HD1  LEU 147          HD13      LEU 147  15.604  -4.390  -4.390
 1088   3HD1  LEU 147          HD12      LEU 147  15.843  -5.729  -5.729
 1089   1HD2  LEU 147          HD23      LEU 147  18.559  -3.729  -3.729
 1090   2HD2  LEU 147          HD22      LEU 147  18.261  -5.444  -5.444
 1091   3HD2  LEU 147          HD21      LEU 147  16.920  -4.299  -4.299
 1092    H    ALA 148           HN       ALA 148  20.464  -1.156  -1.156
 1093    HA   ALA 148           HA       ALA 148  19.449   0.549   0.549
 1094   1HB   ALA 148           HB1      ALA 148  19.604   1.152   1.152
 1095   2HB   ALA 148           HB3      ALA 148  21.348   1.306   1.306
 1096   3HB   ALA 148           HB2      ALA 148  20.252   2.362   2.362
 1097    H    ARG 149           HN       ARG 149  22.455  -1.029  -1.029
 1098    HA   ARG 149           HA       ARG 149  24.106   0.697   0.697
 1099   1HB   ARG 149           HB2      ARG 149  24.935  -0.858  -0.858
 1100   2HB   ARG 149           HB1      ARG 149  24.594  -2.202  -2.202
 1101   1HG   ARG 149           HG1      ARG 149  26.425  -1.832  -1.832
 1102   2HG   ARG 149           HG2      ARG 149  26.260  -0.077  -0.077
 1103   1HD   ARG 149           HD1      ARG 149  26.885  -0.830  -0.830
 1104   2HD   ARG 149           HD2      ARG 149  27.889  -1.877  -1.877
 1105    HE   ARG 149           HE       ARG 149  28.166   0.667   0.667
 1106   1HH1  ARG 149          HH21      ARG 149  28.776  -0.934  -0.934
 1107   2HH1  ARG 149          HH22      ARG 149  30.101   0.095   0.095
 1108   1HH2  ARG 149          HH11      ARG 149  29.910   2.033   2.033
 1109   2HH2  ARG 149          HH12      ARG 149  30.745   1.781   1.781
 1110    H    GLN 150           HN       GLN 150  22.603  -2.466  -2.466
 1111    HA   GLN 150           HA       GLN 150  23.522  -2.747  -2.747
 1112   1HB   GLN 150           HB1      GLN 150  21.235  -4.123  -4.123
 1113   2HB   GLN 150           HB2      GLN 150  22.667  -4.744  -4.744
 1114   1HG   GLN 150           HG2      GLN 150  20.932  -3.123  -3.123
 1115   2HG   GLN 150           HG1      GLN 150  20.186  -4.600  -4.600
 1116   1HE2  GLN 150          HE22      GLN 150  23.676  -5.220  -5.220
 1117   2HE2  GLN 150          HE21      GLN 150  23.584  -4.069  -4.069
 1118    H    ARG 151           HN       ARG 151  20.138  -2.097  -2.097
 1119    HA   ARG 151           HA       ARG 151  19.624  -0.850  -0.850
 1120   1HB   ARG 151           HB2      ARG 151  18.040  -1.268  -1.268
 1121   2HB   ARG 151           HB1      ARG 151  17.437  -0.201  -0.201
 1122   1HG   ARG 151           HG2      ARG 151  16.438  -2.101  -2.101
 1123   2HG   ARG 151           HG1      ARG 151  17.990  -2.338  -2.338
 1124   1HD   ARG 151           HD2      ARG 151  18.239  -3.315  -3.315
 1125   2HD   ARG 151           HD1      ARG 151  16.739  -3.960  -3.960
 1126    HE   ARG 151           HE       ARG 151  19.396  -4.689  -4.689
 1127   1HH1  ARG 151          HH21      ARG 151  16.145  -4.346  -4.346
 1128   2HH1  ARG 151          HH22      ARG 151  16.349  -5.521  -5.521
 1129   1HH2  ARG 151          HH11      ARG 151  19.674  -6.236  -6.236
 1130   2HH2  ARG 151          HH12      ARG 151  18.354  -6.594  -6.594
 1131    H    GLY 152           HN       GLY 152  21.637   0.544   0.544
 1132   1HA   GLY 152           HA1      GLY 152  21.276   2.708   2.708
 1133   2HA   GLY 152           HA2      GLY 152  22.527   2.578   2.578
 1134    H    ALA 153           HN       ALA 153  18.982   2.730   2.730
 1135    HA   ALA 153           HA       ALA 153  18.662   4.131   4.131
 1136   1HB   ALA 153           HB1      ALA 153  16.802   3.419   3.419
 1137   2HB   ALA 153           HB3      ALA 153  17.172   4.743   4.743
 1138   3HB   ALA 153           HB2      ALA 153  16.618   5.091   5.091
 1139    H    GLN 154           HN       GLN 154  19.032   5.681   5.681
 1140    HA   GLN 154           HA       GLN 154  20.607   7.834   7.834
 1141   1HB   GLN 154           HB2      GLN 154  18.580   8.800   8.800
 1142   2HB   GLN 154           HB1      GLN 154  19.147   9.527   9.527
 1143   1HG   GLN 154           HG2      GLN 154  16.989   9.090   9.090
 1144   2HG   GLN 154           HG1      GLN 154  17.743   7.587   7.587
 1145   1HE2  GLN 154          HE22      GLN 154  16.565   6.302   6.302
 1146   2HE2  GLN 154          HE21      GLN 154  18.111   6.894   6.894
 1147    H    ASN 155           HN       ASN 155  20.174   9.312   9.312
 1148    HA   ASN 155           HA       ASN 155  22.268   7.989   7.989
 1149   1HB   ASN 155           HB1      ASN 155  21.782   9.791   9.791
 1150   2HB   ASN 155           HB2      ASN 155  22.247  10.368  10.368
 1151   1HD2  ASN 155          HD22      ASN 155  19.543  12.554  12.554
 1152   2HD2  ASN 155          HD21      ASN 155  21.257  12.364  12.364
 1153    H    LEU 156           HN       LEU 156  20.469   6.067   6.067
 1154    HA   LEU 156           HA       LEU 156  18.452   5.957   5.957
 1155   1HB   LEU 156           HB1      LEU 156  19.754   4.091   4.091
 1156   2HB   LEU 156           HB2      LEU 156  19.107   3.342   3.342
 1157    HG   LEU 156           HG       LEU 156  17.615   4.875   4.875
 1158   1HD1  LEU 156          HD12      LEU 156  17.862   2.063   2.063
 1159   2HD1  LEU 156          HD11      LEU 156  16.236   2.615   2.615
 1160   3HD1  LEU 156          HD13      LEU 156  17.531   2.749   2.749
 1161   1HD2  LEU 156          HD22      LEU 156  16.950   4.451   4.451
 1162   2HD2  LEU 156          HD21      LEU 156  16.419   5.707   5.707
 1163   3HD2  LEU 156          HD23      LEU 156  15.668   4.112   4.112
 1164    H    MET 157           HN       MET 157  21.495   4.087   4.087
 1165    HA   MET 157           HA       MET 157  21.379   3.186   3.186
 1166   1HB   MET 157           HB2      MET 157  23.561   2.501   2.501
 1167   2HB   MET 157           HB1      MET 157  23.062   2.723   2.723
 1168   1HG   MET 157           HG2      MET 157  25.108   3.755   3.755
 1169   2HG   MET 157           HG1      MET 157  24.014   5.110   5.110
 1170   1HE   MET 157           HE3      MET 157  25.787   2.279   2.279
 1171   2HE   MET 157           HE2      MET 157  27.230   3.277   3.277
 1172   3HE   MET 157           HE1      MET 157  26.539   2.997   2.997
 1173    H    ASP 158           HN       ASP 158  21.971   6.361   6.361
 1174    HA   ASP 158           HA       ASP 158  23.375   7.329   7.329
 1175   1HB   ASP 158           HB2      ASP 158  22.060   9.488   9.488
 1176   2HB   ASP 158           HB1      ASP 158  22.515   8.370   8.370
 1177    H    ILE 159           HN       ILE 159  19.982   7.362   7.362
 1178    HA   ILE 159           HA       ILE 159  19.076   8.887   8.887
 1179    HB   ILE 159           HB       ILE 159  17.258   7.029   7.029
 1180   1HG1  ILE 159          HG12      ILE 159  17.467   9.606   9.606
 1181   2HG1  ILE 159          HG11      ILE 159  19.002   8.753   8.753
 1182   1HG2  ILE 159          HG21      ILE 159  17.071   9.747   9.747
 1183   2HG2  ILE 159          HG23      ILE 159  15.819   9.117   9.117
 1184   3HG2  ILE 159          HG22      ILE 159  16.203   8.277   8.277
 1185   1HD1  ILE 159          HD12      ILE 159  17.401   6.760   6.760
 1186   2HD1  ILE 159          HD11      ILE 159  16.416   8.118   8.118
 1187   3HD1  ILE 159          HD13      ILE 159  18.059   7.925   7.925
 1188    H    LEU 160           HN       LEU 160  19.249   5.436   5.436
 1189    HA   LEU 160           HA       LEU 160  17.878   4.612   4.612
 1190   1HB   LEU 160           HB2      LEU 160  19.681   3.073   3.073
 1191   2HB   LEU 160           HB1      LEU 160  18.718   2.354   2.354
 1192    HG   LEU 160           HG       LEU 160  16.702   3.441   3.441
 1193   1HD1  LEU 160          HD21      LEU 160  18.848   3.567   3.567
 1194   2HD1  LEU 160          HD23      LEU 160  17.128   3.524   3.524
 1195   3HD1  LEU 160          HD22      LEU 160  17.785   4.861   4.861
 1196   1HD2  LEU 160          HD11      LEU 160  17.676   0.951   0.951
 1197   2HD2  LEU 160          HD13      LEU 160  16.255   1.410   1.410
 1198   3HD2  LEU 160          HD12      LEU 160  17.828   1.284   1.284
 1199    H    GLN 161           HN       GLN 161  21.272   4.959   4.959
 1200    HA   GLN 161           HA       GLN 161  22.382   3.785   3.785
 1201   1HB   GLN 161           HB2      GLN 161  23.806   4.081   4.081
 1202   2HB   GLN 161           HB1      GLN 161  23.433   5.793   5.793
 1203   1HG   GLN 161           HG1      GLN 161  24.621   6.184   6.184
 1204   2HG   GLN 161           HG2      GLN 161  24.984   4.462   4.462
 1205   1HE2  GLN 161          HE22      GLN 161  26.816   6.610   6.610
 1206   2HE2  GLN 161          HE21      GLN 161  25.188   6.965   6.965
 1207    H    GLY 162           HN       GLY 162  21.648   7.173   7.173
 1208   1HA   GLY 162           HA2      GLY 162  22.585   8.237   8.237
 1209   2HA   GLY 162           HA1      GLY 162  21.470   9.029   9.029
 1210    H    HIS 163           HN       HIS 163  19.342   7.253   7.253
 1211    HA   HIS 163           HA       HIS 163  18.088   8.008   8.008
 1212   1HB   HIS 163           HB2      HIS 163  17.284   6.646   6.646
 1213   2HB   HIS 163           HB1      HIS 163  16.343   6.238   6.238
 1214    HD2  HIS 163           HD2      HIS 163  14.972   7.952   7.952
 1215    HE1  HIS 163           HE1      HIS 163  15.335  11.175  11.175
 1216    HE2  HIS 163           HE2      HIS 163  14.058  10.268  10.268
 1217    H    MET 164           HN       MET 164  20.062   5.421   5.421
 1218    HA   MET 164           HA       MET 164  18.891   3.381   3.381
 1219   1HB   MET 164           HB1      MET 164  21.262   3.701   3.701
 1220   2HB   MET 164           HB2      MET 164  21.576   2.747   2.747
 1221   1HG   MET 164           HG1      MET 164  19.907   1.163   1.163
 1222   2HG   MET 164           HG2      MET 164  19.299   2.190   2.190
 1223   1HE   MET 164           HE1      MET 164  22.365   0.812   0.812
 1224   2HE   MET 164           HE3      MET 164  22.833  -0.462  -0.462
 1225   3HE   MET 164           HE2      MET 164  23.531   1.151   1.151
 1226    H    MET 165           HN       MET 165  21.752   5.463   5.463
 1227    HA   MET 165           HA       MET 165  22.665   6.363   6.363
 1228   1HB   MET 165           HB1      MET 165  20.063   6.161   6.161
 1229   2HB   MET 165           HB2      MET 165  20.788   5.065   5.065
 1230   1HG   MET 165           HG1      MET 165  22.427   7.001   7.001
 1231   2HG   MET 165           HG2      MET 165  21.223   8.001   8.001
 1232   1HE   MET 165           HE2      MET 165  21.601   5.198   5.198
 1233   2HE   MET 165           HE1      MET 165  22.328   6.614   6.614
 1234   3HE   MET 165           HE3      MET 165  20.842   5.928   5.928
 1235    H    ILE 166           HN       ILE 166  23.493   3.890   3.890
 1236    HA   ILE 166           HA       ILE 166  23.830   1.681   1.681
 1237    HB   ILE 166           HB       ILE 166  26.311   1.712   1.712
 1238   1HG1  ILE 166          HG12      ILE 166  25.710   3.795   3.795
 1239   2HG1  ILE 166          HG11      ILE 166  25.811   4.405   4.405
 1240   1HG2  ILE 166          HG21      ILE 166  24.108   1.990   1.990
 1241   2HG2  ILE 166          HG23      ILE 166  25.704   1.309   1.309
 1242   3HG2  ILE 166          HG22      ILE 166  24.612   0.509   0.509
 1243   1HD1  ILE 166          HD13      ILE 166  28.022   2.967   2.967
 1244   2HD1  ILE 166          HD12      ILE 166  27.915   3.238   3.238
 1245   3HD1  ILE 166          HD11      ILE 166  27.981   4.612   4.612
 1246    HA   PRO 167           HA       PRO 167  25.072   3.650   3.650
 1247   1HB   PRO 167           HB1      PRO 167  24.465   0.882   0.882
 1248   2HB   PRO 167           HB2      PRO 167  23.918   2.422   2.422
 1249   1HG   PRO 167           HG1      PRO 167  22.263   0.877   0.877
 1250   2HG   PRO 167           HG2      PRO 167  22.213   2.644   2.644
 1251   1HD   PRO 167           HD2      PRO 167  23.394   0.622   0.622
 1252   2HD   PRO 167           HD1      PRO 167  22.512   2.118   2.118
 1253    H    MET 168           HN       MET 168  27.233   3.540   3.540
 1254    HA   MET 168           HA       MET 168  28.825   1.185   1.185
 1255   1HB   MET 168           HB2      MET 168  28.951   3.308   3.308
 1256   2HB   MET 168           HB1      MET 168  30.474   3.206   3.206
 1257   1HG   MET 168           HG1      MET 168  30.158   0.625   0.625
 1258   2HG   MET 168           HG2      MET 168  29.202   1.262   1.262
 1259   1HE   MET 168           HE2      MET 168  31.032  -0.179  -0.179
 1260   2HE   MET 168           HE1      MET 168  30.299   1.249   1.249
 1261   3HE   MET 168           HE3      MET 168  32.027   0.951   0.951

  Start of MODEL   12
    1   1H    GLY   1           HT3      GLY   1 -27.477 -13.114 -13.114
    2   2H    GLY   1           HT2      GLY   1 -25.899 -13.084 -13.084
    3   3H    GLY   1           HT1      GLY   1 -27.181 -12.510 -12.510
    4   1HA   GLY   1           HA1      GLY   1 -27.993 -14.598 -14.598
    5   2HA   GLY   1           HA2      GLY   1 -26.252 -14.831 -14.831
    6    H    SER   2           HN       SER   2 -25.229 -15.877 -15.877
    7    HA   SER   2           HA       SER   2 -26.891 -17.882 -17.882
    8   1HB   SER   2           HB1      SER   2 -24.646 -18.431 -18.431
    9   2HB   SER   2           HB2      SER   2 -23.925 -17.363 -17.363
   10    HG   SER   2           HG       SER   2 -25.461 -18.936 -18.936
   11    H    MET   3           HN       MET   3 -25.871 -14.776 -14.776
   12    HA   MET   3           HA       MET   3 -25.784 -15.198 -15.198
   13   1HB   MET   3           HB2      MET   3 -24.571 -13.378 -13.378
   14   2HB   MET   3           HB1      MET   3 -26.058 -12.481 -12.481
   15   1HG   MET   3           HG1      MET   3 -25.545 -13.197 -13.197
   16   2HG   MET   3           HG2      MET   3 -23.899 -13.217 -13.217
   17   1HE   MET   3           HE2      MET   3 -22.550 -11.687 -11.687
   18   2HE   MET   3           HE1      MET   3 -22.894 -10.132 -10.132
   19   3HE   MET   3           HE3      MET   3 -22.654 -10.231 -10.231
   20    H    LEU   4           HN       LEU   4 -27.322 -14.595 -14.595
   21    HA   LEU   4           HA       LEU   4 -29.900 -13.640 -13.640
   22   1HB   LEU   4           HB2      LEU   4 -30.072 -15.568 -15.568
   23   2HB   LEU   4           HB1      LEU   4 -31.094 -15.381 -15.381
   24    HG   LEU   4           HG       LEU   4 -28.925 -16.400 -16.400
   25   1HD1  LEU   4          HD11      LEU   4 -28.718 -17.140 -17.140
   26   2HD1  LEU   4          HD13      LEU   4 -28.306 -18.344 -18.344
   27   3HD1  LEU   4          HD12      LEU   4 -27.448 -16.804 -16.804
   28   1HD2  LEU   4          HD21      LEU   4 -31.311 -17.643 -17.643
   29   2HD2  LEU   4          HD23      LEU   4 -30.869 -17.512 -17.512
   30   3HD2  LEU   4          HD22      LEU   4 -30.070 -18.701 -18.701
   31    H    LEU   5           HN       LEU   5 -28.174 -14.437 -14.437
   32    HA   LEU   5           HA       LEU   5 -29.610 -12.420 -12.420
   33   1HB   LEU   5           HB2      LEU   5 -27.788 -14.610 -14.610
   34   2HB   LEU   5           HB1      LEU   5 -27.440 -13.179 -13.179
   35    HG   LEU   5           HG       LEU   5 -28.987 -14.816 -14.816
   36   1HD1  LEU   5          HD23      LEU   5 -29.696 -11.960 -11.960
   37   2HD1  LEU   5          HD22      LEU   5 -30.770 -12.973 -12.973
   38   3HD1  LEU   5          HD21      LEU   5 -29.097 -12.735 -12.735
   39   1HD2  LEU   5          HD13      LEU   5 -30.273 -14.714 -14.714
   40   2HD2  LEU   5          HD12      LEU   5 -30.769 -15.605 -15.605
   41   3HD2  LEU   5          HD11      LEU   5 -31.374 -13.973 -13.973
   42    H    GLU   6           HN       GLU   6 -27.923 -11.152 -11.152
   43    HA   GLU   6           HA       GLU   6 -25.664 -10.044 -10.044
   44   1HB   GLU   6           HB2      GLU   6 -27.718  -8.901  -8.901
   45   2HB   GLU   6           HB1      GLU   6 -27.938  -8.149  -8.149
   46   1HG   GLU   6           HG1      GLU   6 -25.581  -7.844  -7.844
   47   2HG   GLU   6           HG2      GLU   6 -26.792  -6.625  -6.625
   48    H    GLU   7           HN       GLU   7 -25.728 -11.332 -11.332
   49    HA   GLU   7           HA       GLU   7 -26.195  -9.978  -9.978
   50   1HB   GLU   7           HB1      GLU   7 -23.712 -11.627 -11.627
   51   2HB   GLU   7           HB2      GLU   7 -24.586 -11.391 -11.391
   52   1HG   GLU   7           HG2      GLU   7 -26.428 -12.461 -12.461
   53   2HG   GLU   7           HG1      GLU   7 -24.941 -13.393 -13.393
   54    H    VAL   8           HN       VAL   8 -23.753  -9.361  -9.361
   55    HA   VAL   8           HA       VAL   8 -21.805  -8.015  -8.015
   56    HB   VAL   8           HB       VAL   8 -22.957  -7.382  -7.382
   57   1HG1  VAL   8          HG12      VAL   8 -20.743  -6.094  -6.094
   58   2HG1  VAL   8          HG11      VAL   8 -20.589  -6.278  -6.278
   59   3HG1  VAL   8          HG13      VAL   8 -21.944  -5.373  -5.373
   60   1HG2  VAL   8          HG21      VAL   8 -21.419  -9.507  -9.507
   61   2HG2  VAL   8          HG23      VAL   8 -21.630  -8.989  -8.989
   62   3HG2  VAL   8          HG22      VAL   8 -20.250  -8.413  -8.413
   63    H    CYS   9           HN       CYS   9 -24.472  -6.322  -6.322
   64    HA   CYS   9           HA       CYS   9 -25.224  -4.161  -4.161
   65   1HB   CYS   9           HB1      CYS   9 -26.197  -6.004  -6.004
   66   2HB   CYS   9           HB2      CYS   9 -25.776  -4.598  -4.598
   67    HG   CYS   9           HG       CYS   9 -27.498  -3.875  -3.875
   68    H    VAL  10           HN       VAL  10 -23.416  -2.877  -2.877
   69    HA   VAL  10           HA       VAL  10 -22.422  -0.946  -0.946
   70    HB   VAL  10           HB       VAL  10 -22.052  -2.645  -2.645
   71   1HG1  VAL  10          HG13      VAL  10 -20.801  -0.208  -0.208
   72   2HG1  VAL  10          HG12      VAL  10 -21.651   0.028   0.028
   73   3HG1  VAL  10          HG11      VAL  10 -20.418  -1.227  -1.227
   74   1HG2  VAL  10          HG21      VAL  10 -24.284  -1.125  -1.125
   75   2HG2  VAL  10          HG23      VAL  10 -24.083  -1.993  -1.993
   76   3HG2  VAL  10          HG22      VAL  10 -23.575  -0.308  -0.308
   77    H    GLY  11           HN       GLY  11 -21.273  -4.247  -4.247
   78   1HA   GLY  11           HA2      GLY  11 -18.509  -3.658  -3.658
   79   2HA   GLY  11           HA1      GLY  11 -19.233  -5.223  -5.223
   80    H    ASP  12           HN       ASP  12 -20.797  -3.441  -3.441
   81    HA   ASP  12           HA       ASP  12 -18.703  -3.693  -3.693
   82   1HB   ASP  12           HB1      ASP  12 -20.541  -5.361  -5.361
   83   2HB   ASP  12           HB2      ASP  12 -20.417  -4.296  -4.296
   84    H    ARG  13           HN       ARG  13 -19.734  -1.394  -1.394
   85    HA   ARG  13           HA       ARG  13 -20.239   0.478   0.478
   86   1HB   ARG  13           HB1      ARG  13 -22.066  -0.021  -0.021
   87   2HB   ARG  13           HB2      ARG  13 -21.125   1.178   1.178
   88   1HG   ARG  13           HG2      ARG  13 -22.647   2.536   2.536
   89   2HG   ARG  13           HG1      ARG  13 -21.392   2.531   2.531
   90   1HD   ARG  13           HD2      ARG  13 -22.612   0.645   0.645
   91   2HD   ARG  13           HD1      ARG  13 -23.915   0.885   0.885
   92    HE   ARG  13           HE       ARG  13 -24.607   2.680   2.680
   93   1HH1  ARG  13          HH21      ARG  13 -21.301   1.971   1.971
   94   2HH1  ARG  13          HH22      ARG  13 -21.235   3.137   3.137
   95   1HH2  ARG  13          HH11      ARG  13 -24.533   4.221   4.221
   96   2HH2  ARG  13          HH12      ARG  13 -23.073   4.415   4.415
   97    H    LEU  14           HN       LEU  14 -19.031   0.310   0.310
   98    HA   LEU  14           HA       LEU  14 -17.529   2.715   2.715
   99   1HB   LEU  14           HB2      LEU  14 -17.931   2.305   2.305
  100   2HB   LEU  14           HB1      LEU  14 -17.899   0.567   0.567
  101    HG   LEU  14           HG       LEU  14 -15.366   0.771   0.771
  102   1HD1  LEU  14          HD22      LEU  14 -15.527   3.287   3.287
  103   2HD1  LEU  14          HD21      LEU  14 -15.785   3.420   3.420
  104   3HD1  LEU  14          HD23      LEU  14 -14.290   2.720   2.720
  105   1HD2  LEU  14          HD13      LEU  14 -16.807   1.465   1.465
  106   2HD2  LEU  14          HD12      LEU  14 -16.374  -0.141  -0.141
  107   3HD2  LEU  14          HD11      LEU  14 -15.112   0.984   0.984
  108    H    SER  15           HN       SER  15 -16.691  -0.720  -0.720
  109    HA   SER  15           HA       SER  15 -13.928  -0.482  -0.482
  110   1HB   SER  15           HB2      SER  15 -14.362  -2.600  -2.600
  111   2HB   SER  15           HB1      SER  15 -14.494  -2.691  -2.691
  112    HG   SER  15           HG       SER  15 -16.686  -2.076  -2.076
  113    H    GLY  16           HN       GLY  16 -16.441   0.099   0.099
  114   1HA   GLY  16           HA1      GLY  16 -14.716   0.168   0.168
  115   2HA   GLY  16           HA2      GLY  16 -16.361   0.780   0.780
  116    H    ALA  17           HN       ALA  17 -16.316   2.755   2.755
  117    HA   ALA  17           HA       ALA  17 -15.182   4.905   4.905
  118   1HB   ALA  17           HB2      ALA  17 -17.063   4.848   4.848
  119   2HB   ALA  17           HB1      ALA  17 -15.748   5.063   5.063
  120   3HB   ALA  17           HB3      ALA  17 -16.022   6.267   6.267
  121    H    ALA  18           HN       ALA  18 -14.149   3.564   3.564
  122    HA   ALA  18           HA       ALA  18 -11.844   5.070   5.070
  123   1HB   ALA  18           HB3      ALA  18 -12.806   3.664   3.664
  124   2HB   ALA  18           HB2      ALA  18 -12.281   2.222   2.222
  125   3HB   ALA  18           HB1      ALA  18 -11.085   3.347   3.347
  126    H    ALA  19           HN       ALA  19 -12.315   2.021   2.021
  127    HA   ALA  19           HA       ALA  19  -9.558   1.674   1.674
  128   1HB   ALA  19           HB1      ALA  19 -11.228  -0.171  -0.171
  129   2HB   ALA  19           HB3      ALA  19 -11.933   0.420   0.420
  130   3HB   ALA  19           HB2      ALA  19 -10.271  -0.171  -0.171
  131    H    ARG  20           HN       ARG  20 -12.239   3.344   3.344
  132    HA   ARG  20           HA       ARG  20 -11.052   3.577   3.577
  133   1HB   ARG  20           HB2      ARG  20 -12.994   4.558   4.558
  134   2HB   ARG  20           HB1      ARG  20 -13.569   3.925   3.925
  135   1HG   ARG  20           HG1      ARG  20 -13.305   6.040   6.040
  136   2HG   ARG  20           HG2      ARG  20 -12.457   6.699   6.699
  137   1HD   ARG  20           HD2      ARG  20 -14.793   5.847   5.847
  138   2HD   ARG  20           HD1      ARG  20 -15.329   6.364   6.364
  139    HE   ARG  20           HE       ARG  20 -14.868   8.544   8.544
  140   1HH1  ARG  20          HH21      ARG  20 -13.553   6.387   6.387
  141   2HH1  ARG  20          HH22      ARG  20 -13.183   7.651   7.651
  142   1HH2  ARG  20          HH11      ARG  20 -14.382  10.220  10.220
  143   2HH2  ARG  20          HH12      ARG  20 -13.655   9.832   9.832
  144    H    GLY  21           HN       GLY  21 -10.047   4.821   4.821
  145   1HA   GLY  21           HA1      GLY  21  -8.751   6.612   6.612
  146   2HA   GLY  21           HA2      GLY  21  -8.148   6.533   6.533
  147    H    ASP  22           HN       ASP  22 -10.704   7.892   7.892
  148    HA   ASP  22           HA       ASP  22 -10.585  10.364  10.364
  149   1HB   ASP  22           HB1      ASP  22 -13.367   9.510   9.510
  150   2HB   ASP  22           HB2      ASP  22 -12.475   8.524   8.524
  151    H    VAL  23           HN       VAL  23  -9.957  11.463  11.463
  152    HA   VAL  23           HA       VAL  23 -10.849  11.128  11.128
  153    HB   VAL  23           HB       VAL  23  -8.971  12.524  12.524
  154   1HG1  VAL  23          HG13      VAL  23 -10.741  14.172  14.172
  155   2HG1  VAL  23          HG12      VAL  23  -9.172  14.725  14.725
  156   3HG1  VAL  23          HG11      VAL  23  -9.276  13.291  13.291
  157   1HG2  VAL  23          HG22      VAL  23 -10.914  13.226  13.226
  158   2HG2  VAL  23          HG21      VAL  23  -9.429  14.164  14.164
  159   3HG2  VAL  23          HG23      VAL  23 -10.893  14.678  14.678
  160    H    GLN  24           HN       GLN  24 -12.441  12.605  12.605
  161    HA   GLN  24           HA       GLN  24 -14.336  14.123  14.123
  162   1HB   GLN  24           HB2      GLN  24 -13.748  13.601  13.601
  163   2HB   GLN  24           HB1      GLN  24 -15.479  13.603  13.603
  164   1HG   GLN  24           HG2      GLN  24 -15.378  15.808  15.808
  165   2HG   GLN  24           HG1      GLN  24 -14.586  15.818  15.818
  166   1HE2  GLN  24          HE22      GLN  24 -12.662  17.341  17.341
  167   2HE2  GLN  24          HE21      GLN  24 -14.373  17.192  17.192
  168    H    GLU  25           HN       GLU  25 -14.499  11.035  11.035
  169    HA   GLU  25           HA       GLU  25 -17.169  10.476  10.476
  170   1HB   GLU  25           HB2      GLU  25 -15.214   9.312   9.312
  171   2HB   GLU  25           HB1      GLU  25 -15.909   8.062   8.062
  172   1HG   GLU  25           HG1      GLU  25 -18.064   9.623   9.623
  173   2HG   GLU  25           HG2      GLU  25 -17.032   9.403   9.403
  174    H    VAL  26           HN       VAL  26 -13.968   9.471   9.471
  175    HA   VAL  26           HA       VAL  26 -14.665   7.449   7.449
  176    HB   VAL  26           HB       VAL  26 -12.321   8.209   8.209
  177   1HG1  VAL  26          HG11      VAL  26 -12.959  10.277  10.277
  178   2HG1  VAL  26          HG13      VAL  26 -11.340   9.910   9.910
  179   3HG1  VAL  26          HG12      VAL  26 -12.552  10.573  10.573
  180   1HG2  VAL  26          HG22      VAL  26 -13.390   7.120   7.120
  181   2HG2  VAL  26          HG21      VAL  26 -11.874   6.740   6.740
  182   3HG2  VAL  26          HG23      VAL  26 -11.937   8.054   8.054
  183    H    ARG  27           HN       ARG  27 -14.708  10.945  10.945
  184    HA   ARG  27           HA       ARG  27 -15.484  10.748  10.748
  185   1HB   ARG  27           HB2      ARG  27 -15.504  13.021  13.021
  186   2HB   ARG  27           HB1      ARG  27 -16.045  13.209  13.209
  187   1HG   ARG  27           HG2      ARG  27 -13.889  12.764  12.764
  188   2HG   ARG  27           HG1      ARG  27 -13.312  12.189  12.189
  189   1HD   ARG  27           HD1      ARG  27 -12.437  14.378  14.378
  190   2HD   ARG  27           HD2      ARG  27 -13.717  14.490  14.490
  191    HE   ARG  27           HE       ARG  27 -14.917  15.810  15.810
  192   1HH1  ARG  27          HH11      ARG  27 -12.342  14.249  14.249
  193   2HH1  ARG  27          HH12      ARG  27 -12.591  15.167  15.167
  194   1HH2  ARG  27          HH21      ARG  27 -15.255  17.025  17.025
  195   2HH2  ARG  27          HH22      ARG  27 -14.247  16.746  16.746
  196    H    ARG  28           HN       ARG  28 -17.241  11.598  11.598
  197    HA   ARG  28           HA       ARG  28 -19.748  12.029  12.029
  198   1HB   ARG  28           HB2      ARG  28 -19.126  10.710  10.710
  199   2HB   ARG  28           HB1      ARG  28 -20.646  11.477  11.477
  200   1HG   ARG  28           HG1      ARG  28 -18.516  13.331  13.331
  201   2HG   ARG  28           HG2      ARG  28 -18.389  12.645  12.645
  202   1HD   ARG  28           HD1      ARG  28 -19.831  14.744  14.744
  203   2HD   ARG  28           HD2      ARG  28 -20.498  13.409  13.409
  204    HE   ARG  28           HE       ARG  28 -21.178  13.377  13.377
  205   1HH1  ARG  28          HH11      ARG  28 -22.073  14.443  14.443
  206   2HH1  ARG  28          HH12      ARG  28 -23.751  14.620  14.620
  207   1HH2  ARG  28          HH21      ARG  28 -23.386  13.605  13.605
  208   2HH2  ARG  28          HH22      ARG  28 -24.498  14.146  14.146
  209    H    LEU  29           HN       LEU  29 -18.075   9.032   9.032
  210    HA   LEU  29           HA       LEU  29 -20.359   7.348   7.348
  211   1HB   LEU  29           HB2      LEU  29 -17.394   6.860   6.860
  212   2HB   LEU  29           HB1      LEU  29 -18.542   5.574   5.574
  213    HG   LEU  29           HG       LEU  29 -17.527   6.268   6.268
  214   1HD1  LEU  29          HD22      LEU  29 -19.193   4.342   4.342
  215   2HD1  LEU  29          HD21      LEU  29 -20.107   5.002   5.002
  216   3HD1  LEU  29          HD23      LEU  29 -18.495   4.337   4.337
  217   1HD2  LEU  29          HD12      LEU  29 -18.923   8.307   8.307
  218   2HD2  LEU  29          HD11      LEU  29 -19.322   7.186   7.186
  219   3HD2  LEU  29          HD13      LEU  29 -20.359   7.290   7.290
  220    H    LEU  30           HN       LEU  30 -17.472   7.372   7.372
  221    HA   LEU  30           HA       LEU  30 -18.953   6.397   6.397
  222   1HB   LEU  30           HB1      LEU  30 -16.164   7.534   7.534
  223   2HB   LEU  30           HB2      LEU  30 -16.875   6.437   6.437
  224    HG   LEU  30           HG       LEU  30 -16.708   5.516   5.516
  225   1HD1  LEU  30          HD11      LEU  30 -14.337   5.625   5.625
  226   2HD1  LEU  30          HD13      LEU  30 -14.404   4.760   4.760
  227   3HD1  LEU  30          HD12      LEU  30 -14.519   6.520   6.520
  228   1HD2  LEU  30          HD22      LEU  30 -17.336   4.410   4.410
  229   2HD2  LEU  30          HD21      LEU  30 -17.205   3.577   3.577
  230   3HD2  LEU  30          HD23      LEU  30 -15.801   3.694   3.694
  231    H    HIS  31           HN       HIS  31 -17.522   9.536   9.536
  232    HA   HIS  31           HA       HIS  31 -18.122  10.783  10.783
  233   1HB   HIS  31           HB2      HIS  31 -16.734  11.474  11.474
  234   2HB   HIS  31           HB1      HIS  31 -18.064  12.627  12.627
  235    HD2  HIS  31           HD2      HIS  31 -14.627  12.117  12.117
  236    HE1  HIS  31           HE1      HIS  31 -16.582  14.971  14.971
  237    HE2  HIS  31           HE2      HIS  31 -14.338  14.009  14.009
  238    H    ARG  32           HN       ARG  32 -20.233   9.689   9.689
  239    HA   ARG  32           HA       ARG  32 -22.364  11.326  11.326
  240   1HB   ARG  32           HB1      ARG  32 -21.820  12.691  12.691
  241   2HB   ARG  32           HB2      ARG  32 -21.657  11.303  11.303
  242   1HG   ARG  32           HG2      ARG  32 -23.693  12.102  12.102
  243   2HG   ARG  32           HG1      ARG  32 -24.183  10.942  10.942
  244   1HD   ARG  32           HD1      ARG  32 -24.731  12.581  12.581
  245   2HD   ARG  32           HD2      ARG  32 -23.627  13.756  13.756
  246    HE   ARG  32           HE       ARG  32 -25.558  13.305  13.305
  247   1HH1  ARG  32          HH21      ARG  32 -25.478  14.434  14.434
  248   2HH1  ARG  32          HH22      ARG  32 -26.870  15.449  15.449
  249   1HH2  ARG  32          HH11      ARG  32 -27.396  14.635  14.635
  250   2HH2  ARG  32          HH12      ARG  32 -27.962  15.561  15.561
  251    H    GLU  33           HN       GLU  33 -22.241   9.317   9.317
  252    HA   GLU  33           HA       GLU  33 -24.581   7.986   7.986
  253   1HB   GLU  33           HB2      GLU  33 -23.441   7.505   7.505
  254   2HB   GLU  33           HB1      GLU  33 -21.945   7.124   7.124
  255   1HG   GLU  33           HG1      GLU  33 -23.794   5.233   5.233
  256   2HG   GLU  33           HG2      GLU  33 -24.065   5.383   5.383
  257    H    LEU  34           HN       LEU  34 -21.720   7.518   7.518
  258    HA   LEU  34           HA       LEU  34 -21.339   6.331   6.331
  259   1HB   LEU  34           HB1      LEU  34 -24.017   6.973   6.973
  260   2HB   LEU  34           HB2      LEU  34 -24.028   5.234   5.234
  261    HG   LEU  34           HG       LEU  34 -22.627   5.396   5.396
  262   1HD1  LEU  34          HD22      LEU  34 -21.915   7.929   7.929
  263   2HD1  LEU  34          HD21      LEU  34 -22.433   8.139   8.139
  264   3HD1  LEU  34          HD23      LEU  34 -21.124   7.021   7.021
  265   1HD2  LEU  34          HD13      LEU  34 -25.198   6.273   6.273
  266   2HD2  LEU  34          HD12      LEU  34 -24.282   6.033   6.033
  267   3HD2  LEU  34          HD11      LEU  34 -24.393   7.641   7.641
  268    H    VAL  35           HN       VAL  35 -20.091   4.855   4.855
  269    HA   VAL  35           HA       VAL  35 -21.430   2.288   2.288
  270    HB   VAL  35           HB       VAL  35 -18.878   2.230   2.230
  271   1HG1  VAL  35          HG22      VAL  35 -21.428   1.546   1.546
  272   2HG1  VAL  35          HG21      VAL  35 -21.121   2.866   2.866
  273   3HG1  VAL  35          HG23      VAL  35 -20.054   1.461   1.461
  274   1HG2  VAL  35          HG12      VAL  35 -18.921   4.726   4.726
  275   2HG2  VAL  35          HG11      VAL  35 -18.740   4.144   4.144
  276   3HG2  VAL  35          HG13      VAL  35 -20.301   4.744   4.744
  277    H    HIS  36           HN       HIS  36 -20.753   0.480   0.480
  278    HA   HIS  36           HA       HIS  36 -19.044   0.707   0.707
  279   1HB   HIS  36           HB2      HIS  36 -21.022  -1.047  -1.047
  280   2HB   HIS  36           HB1      HIS  36 -19.559  -2.020  -2.020
  281    HD2  HIS  36           HD2      HIS  36 -21.213   0.248   0.248
  282    HE1  HIS  36           HE1      HIS  36 -19.242  -3.057  -3.057
  283    HE2  HIS  36           HE2      HIS  36 -20.504  -0.905  -0.905
  284    HA   PRO  37           HA       PRO  37 -15.199   0.010   0.010
  285   1HB   PRO  37           HB2      PRO  37 -13.664  -0.382  -0.382
  286   2HB   PRO  37           HB1      PRO  37 -14.213   1.215   1.215
  287   1HG   PRO  37           HG1      PRO  37 -15.333  -0.578  -0.578
  288   2HG   PRO  37           HG2      PRO  37 -15.074   1.176   1.176
  289   1HD   PRO  37           HD1      PRO  37 -17.504   0.071   0.071
  290   2HD   PRO  37           HD2      PRO  37 -17.004   1.614   1.614
  291    H    ASP  38           HN       ASP  38 -16.822  -2.228  -2.228
  292    HA   ASP  38           HA       ASP  38 -14.923  -4.375  -4.375
  293   1HB   ASP  38           HB2      ASP  38 -16.581  -3.944  -3.944
  294   2HB   ASP  38           HB1      ASP  38 -17.705  -4.842  -4.842
  295    H    ALA  39           HN       ALA  39 -17.848  -3.204  -3.204
  296    HA   ALA  39           HA       ALA  39 -18.905  -5.340  -5.340
  297   1HB   ALA  39           HB3      ALA  39 -19.449  -2.790  -2.790
  298   2HB   ALA  39           HB2      ALA  39 -18.434  -2.855  -2.855
  299   3HB   ALA  39           HB1      ALA  39 -19.876  -3.864  -3.864
  300    H    LEU  40           HN       LEU  40 -18.633  -6.195  -6.195
  301    HA   LEU  40           HA       LEU  40 -15.977  -5.879  -5.879
  302   1HB   LEU  40           HB2      LEU  40 -17.114  -8.599  -8.599
  303   2HB   LEU  40           HB1      LEU  40 -15.541  -8.237  -8.237
  304    HG   LEU  40           HG       LEU  40 -15.184  -6.948  -6.948
  305   1HD1  LEU  40          HD22      LEU  40 -17.505  -7.236  -7.236
  306   2HD1  LEU  40          HD21      LEU  40 -17.263  -8.984  -8.984
  307   3HD1  LEU  40          HD23      LEU  40 -16.342  -7.948  -7.948
  308   1HD2  LEU  40          HD13      LEU  40 -14.107  -9.101  -9.101
  309   2HD2  LEU  40          HD12      LEU  40 -13.984  -8.767  -8.767
  310   3HD2  LEU  40          HD11      LEU  40 -15.168  -9.933  -9.933
  311    H    ASN  41           HN       ASN  41 -15.878  -6.228  -6.228
  312    HA   ASN  41           HA       ASN  41 -18.332  -6.089  -6.089
  313   1HB   ASN  41           HB2      ASN  41 -16.800  -6.244  -6.244
  314   2HB   ASN  41           HB1      ASN  41 -16.475  -4.912  -4.912
  315   1HD2  ASN  41          HD22      ASN  41 -13.166  -6.050  -6.050
  316   2HD2  ASN  41          HD21      ASN  41 -14.394  -5.002  -5.002
  317    H    ARG  42           HN       ARG  42 -18.682  -7.560  -7.560
  318    HA   ARG  42           HA       ARG  42 -19.482 -10.037 -10.037
  319   1HB   ARG  42           HB1      ARG  42 -19.653  -8.787  -8.787
  320   2HB   ARG  42           HB2      ARG  42 -18.192  -9.674  -9.674
  321   1HG   ARG  42           HG1      ARG  42 -20.389 -11.285 -11.285
  322   2HG   ARG  42           HG2      ARG  42 -20.682 -10.570 -10.570
  323   1HD   ARG  42           HD2      ARG  42 -18.656 -11.584 -11.584
  324   2HD   ARG  42           HD1      ARG  42 -18.279 -12.238 -12.238
  325    HE   ARG  42           HE       ARG  42 -20.695 -13.300 -13.300
  326   1HH1  ARG  42          HH21      ARG  42 -17.796 -13.117 -13.117
  327   2HH1  ARG  42          HH22      ARG  42 -18.107 -14.597 -14.597
  328   1HH2  ARG  42          HH11      ARG  42 -21.116 -15.247 -15.247
  329   2HH2  ARG  42          HH12      ARG  42 -19.995 -15.808 -15.808
  330    H    PHE  43           HN       PHE  43 -16.208  -9.099  -9.099
  331    HA   PHE  43           HA       PHE  43 -15.088 -11.661 -11.661
  332   1HB   PHE  43           HB2      PHE  43 -13.689  -9.191  -9.191
  333   2HB   PHE  43           HB1      PHE  43 -12.947 -10.584 -10.584
  334    HD1  PHE  43           HD2      PHE  43 -15.394 -10.680 -10.680
  335    HD2  PHE  43           HD1      PHE  43 -12.557  -7.733  -7.733
  336    HE1  PHE  43           HE2      PHE  43 -15.621  -9.574  -9.574
  337    HE2  PHE  43           HE1      PHE  43 -12.779  -6.621  -6.621
  338    HZ   PHE  43           HZ       PHE  43 -14.308  -7.539  -7.539
  339    H    GLY  44           HN       GLY  44 -15.149  -9.468  -9.468
  340   1HA   GLY  44           HA1      GLY  44 -15.777 -10.502 -10.502
  341   2HA   GLY  44           HA2      GLY  44 -14.739 -11.848 -11.848
  342    H    LYS  45           HN       LYS  45 -13.934  -8.467  -8.467
  343    HA   LYS  45           HA       LYS  45 -11.733  -8.786  -8.786
  344   1HB   LYS  45           HB2      LYS  45 -11.948  -7.013  -7.013
  345   2HB   LYS  45           HB1      LYS  45 -10.607  -6.979  -6.979
  346   1HG   LYS  45           HG2      LYS  45  -9.817  -9.050  -9.050
  347   2HG   LYS  45           HG1      LYS  45 -11.369  -9.531  -9.531
  348   1HD   LYS  45           HD2      LYS  45 -10.572  -8.921  -8.921
  349   2HD   LYS  45           HD1      LYS  45 -10.645  -7.251  -7.251
  350   1HE   LYS  45           HE2      LYS  45  -8.412  -7.113  -7.113
  351   2HE   LYS  45           HE1      LYS  45  -8.277  -8.781  -8.781
  352   1HZ   LYS  45           HZ3      LYS  45  -8.619  -9.451  -9.451
  353   2HZ   LYS  45           HZ2      LYS  45  -8.451  -7.824  -7.824
  354   3HZ   LYS  45           HZ1      LYS  45  -7.165  -8.641  -8.641
  355    H    THR  46           HN       THR  46 -10.958  -6.603  -6.603
  356    HA   THR  46           HA       THR  46 -13.311  -5.219  -5.219
  357    HB   THR  46           HB       THR  46 -11.429  -4.253  -4.253
  358    HG1  THR  46           HG1      THR  46 -10.245  -6.672  -6.672
  359   1HG2  THR  46          HG23      THR  46 -12.374  -7.102  -7.102
  360   2HG2  THR  46          HG22      THR  46 -11.577  -6.217  -6.217
  361   3HG2  THR  46          HG21      THR  46 -13.144  -5.677  -5.677
  362    H    ALA  47           HN       ALA  47 -13.014  -2.846  -2.846
  363    HA   ALA  47           HA       ALA  47 -12.633  -1.433  -1.433
  364   1HB   ALA  47           HB3      ALA  47 -14.002  -0.691  -0.691
  365   2HB   ALA  47           HB2      ALA  47 -12.502  -0.271  -0.271
  366   3HB   ALA  47           HB1      ALA  47 -12.950   0.559   0.559
  367    H    LEU  48           HN       LEU  48 -10.500  -1.747  -1.747
  368    HA   LEU  48           HA       LEU  48  -8.454  -0.064  -0.064
  369   1HB   LEU  48           HB1      LEU  48  -8.931  -1.200  -1.200
  370   2HB   LEU  48           HB2      LEU  48  -7.764  -2.356  -2.356
  371    HG   LEU  48           HG       LEU  48  -6.356  -0.932  -0.932
  372   1HD1  LEU  48          HD22      LEU  48  -5.774  -0.961  -0.961
  373   2HD1  LEU  48          HD21      LEU  48  -6.630   0.570   0.570
  374   3HD1  LEU  48          HD23      LEU  48  -5.206   0.472   0.472
  375   1HD2  LEU  48          HD11      LEU  48  -8.256   0.567   0.567
  376   2HD2  LEU  48          HD13      LEU  48  -6.711   1.379   1.379
  377   3HD2  LEU  48          HD12      LEU  48  -7.970   1.470   1.470
  378    H    GLN  49           HN       GLN  49  -9.144  -3.473  -3.473
  379    HA   GLN  49           HA       GLN  49  -6.633  -4.122  -4.122
  380   1HB   GLN  49           HB2      GLN  49  -8.199  -5.753  -5.753
  381   2HB   GLN  49           HB1      GLN  49  -9.238  -5.620  -5.620
  382   1HG   GLN  49           HG1      GLN  49  -8.078  -7.248  -7.248
  383   2HG   GLN  49           HG2      GLN  49  -6.686  -6.167  -6.167
  384   1HE2  GLN  49          HE22      GLN  49  -4.883  -8.319  -8.319
  385   2HE2  GLN  49          HE21      GLN  49  -4.988  -7.315  -7.315
  386    H    VAL  50           HN       VAL  50  -9.874  -3.433  -3.433
  387    HA   VAL  50           HA       VAL  50  -9.129  -3.745  -3.745
  388    HB   VAL  50           HB       VAL  50 -11.319  -2.610  -2.610
  389   1HG1  VAL  50          HG11      VAL  50 -11.028  -5.077  -5.077
  390   2HG1  VAL  50          HG13      VAL  50 -11.537  -4.872  -4.872
  391   3HG1  VAL  50          HG12      VAL  50 -12.647  -4.478  -4.478
  392   1HG2  VAL  50          HG21      VAL  50 -11.086  -2.062  -2.062
  393   2HG2  VAL  50          HG23      VAL  50 -12.036  -1.244  -1.244
  394   3HG2  VAL  50          HG22      VAL  50 -12.653  -2.712  -2.712
  395    H    MET  51           HN       MET  51  -9.444  -0.974  -0.974
  396    HA   MET  51           HA       MET  51  -9.423   1.197   1.197
  397   1HB   MET  51           HB2      MET  51  -8.039   2.342   2.342
  398   2HB   MET  51           HB1      MET  51  -9.114   1.228   1.228
  399   1HG   MET  51           HG1      MET  51  -7.307   0.517   0.517
  400   2HG   MET  51           HG2      MET  51  -6.873  -0.293  -0.293
  401   1HE   MET  51           HE3      MET  51  -7.229   3.246   3.246
  402   2HE   MET  51           HE2      MET  51  -5.845   3.224   3.224
  403   3HE   MET  51           HE1      MET  51  -5.724   4.039   4.039
  404    H    MET  52           HN       MET  52  -7.966   2.449   2.449
  405    HA   MET  52           HA       MET  52  -5.644   0.959   0.959
  406   1HB   MET  52           HB2      MET  52  -5.951   1.999   1.999
  407   2HB   MET  52           HB1      MET  52  -7.568   1.554   1.554
  408   1HG   MET  52           HG2      MET  52  -8.174   3.744   3.744
  409   2HG   MET  52           HG1      MET  52  -6.505   4.286   4.286
  410   1HE   MET  52           HE2      MET  52  -5.053   5.095   5.095
  411   2HE   MET  52           HE1      MET  52  -5.801   5.824   5.824
  412   3HE   MET  52           HE3      MET  52  -6.337   6.290   6.290
  413    H    PHE  53           HN       PHE  53  -5.851   2.836   2.836
  414    HA   PHE  53           HA       PHE  53  -4.712   4.579   4.579
  415   1HB   PHE  53           HB2      PHE  53  -2.670   3.521   3.521
  416   2HB   PHE  53           HB1      PHE  53  -2.300   4.774   4.774
  417    HD1  PHE  53           HD2      PHE  53  -3.491   1.280   1.280
  418    HD2  PHE  53           HD1      PHE  53  -1.710   4.215   4.215
  419    HE1  PHE  53           HE2      PHE  53  -3.019  -0.461  -0.461
  420    HE2  PHE  53           HE1      PHE  53  -1.238   2.474   2.474
  421    HZ   PHE  53           HZ       PHE  53  -1.893   0.135   0.135
  422    H    GLY  54           HN       GLY  54  -3.114   5.019   5.019
  423   1HA   GLY  54           HA2      GLY  54  -2.848   7.021   7.021
  424   2HA   GLY  54           HA1      GLY  54  -4.569   6.758   6.758
  425    H    SER  55           HN       SER  55  -6.056   7.994   7.994
  426    HA   SER  55           HA       SER  55  -5.365  10.598  10.598
  427   1HB   SER  55           HB2      SER  55  -7.613  10.575  10.575
  428   2HB   SER  55           HB1      SER  55  -7.756   8.906   8.906
  429    HG   SER  55           HG       SER  55  -8.679  10.658  10.658
  430    HA   PRO  56           HA       PRO  56  -3.874  10.242  10.242
  431   1HB   PRO  56           HB1      PRO  56  -4.032  12.799  12.799
  432   2HB   PRO  56           HB2      PRO  56  -2.938  12.289  12.289
  433   1HG   PRO  56           HG2      PRO  56  -5.513  13.753  13.753
  434   2HG   PRO  56           HG1      PRO  56  -4.100  13.831  13.831
  435   1HD   PRO  56           HD2      PRO  56  -6.492  12.367  12.367
  436   2HD   PRO  56           HD1      PRO  56  -5.005  12.295  12.295
  437    H    ALA  57           HN       ALA  57  -6.754  12.362  12.362
  438    HA   ALA  57           HA       ALA  57  -7.498  11.951  11.951
  439   1HB   ALA  57           HB2      ALA  57  -8.281  13.711  13.711
  440   2HB   ALA  57           HB1      ALA  57  -9.584  12.546  12.546
  441   3HB   ALA  57           HB3      ALA  57  -9.315  13.263  13.263
  442    H    VAL  58           HN       VAL  58  -7.931  10.022  10.022
  443    HA   VAL  58           HA       VAL  58 -10.200   8.552   8.552
  444    HB   VAL  58           HB       VAL  58  -9.336   8.454   8.454
  445   1HG1  VAL  58          HG22      VAL  58  -6.889   8.579   8.579
  446   2HG1  VAL  58          HG21      VAL  58  -6.978   6.825   6.825
  447   3HG1  VAL  58          HG23      VAL  58  -7.211   7.857   7.857
  448   1HG2  VAL  58          HG12      VAL  58  -9.387   5.927   5.927
  449   2HG2  VAL  58          HG11      VAL  58 -10.529   6.531   6.531
  450   3HG2  VAL  58          HG13      VAL  58  -8.975   5.879   5.879
  451    H    ALA  59           HN       ALA  59  -6.748   7.982   7.982
  452    HA   ALA  59           HA       ALA  59  -7.028   5.501   5.501
  453   1HB   ALA  59           HB2      ALA  59  -4.895   7.594   7.594
  454   2HB   ALA  59           HB1      ALA  59  -4.764   6.235   6.235
  455   3HB   ALA  59           HB3      ALA  59  -4.864   5.944   5.944
  456    H    LEU  60           HN       LEU  60  -6.753   8.790   8.790
  457    HA   LEU  60           HA       LEU  60  -6.903   8.073   8.073
  458   1HB   LEU  60           HB1      LEU  60  -6.123  10.256  10.256
  459   2HB   LEU  60           HB2      LEU  60  -7.743  10.640  10.640
  460    HG   LEU  60           HG       LEU  60  -8.237  11.508  11.508
  461   1HD1  LEU  60          HD23      LEU  60  -7.514   8.780   8.780
  462   2HD1  LEU  60          HD22      LEU  60  -7.793  10.067  10.067
  463   3HD1  LEU  60          HD21      LEU  60  -9.067   9.616   9.616
  464   1HD2  LEU  60          HD13      LEU  60  -5.575  11.697  11.697
  465   2HD2  LEU  60          HD12      LEU  60  -6.520  12.335  12.335
  466   3HD2  LEU  60          HD11      LEU  60  -5.722  10.769  10.769
  467    H    GLU  61           HN       GLU  61  -9.448   9.165   9.165
  468    HA   GLU  61           HA       GLU  61 -11.557   9.070   9.070
  469   1HB   GLU  61           HB1      GLU  61 -11.232   9.519   9.519
  470   2HB   GLU  61           HB2      GLU  61 -12.617   8.470   8.470
  471   1HG   GLU  61           HG2      GLU  61 -13.271  10.809  10.809
  472   2HG   GLU  61           HG1      GLU  61 -13.573  10.101  10.101
  473    H    LEU  62           HN       LEU  62 -10.767   6.704   6.704
  474    HA   LEU  62           HA       LEU  62 -12.648   4.798   4.798
  475   1HB   LEU  62           HB2      LEU  62 -12.015   3.728   3.728
  476   2HB   LEU  62           HB1      LEU  62 -10.946   5.084   5.084
  477    HG   LEU  62           HG       LEU  62  -9.156   3.807   3.807
  478   1HD1  LEU  62          HD21      LEU  62 -11.382   1.992   1.992
  479   2HD1  LEU  62          HD23      LEU  62  -9.997   1.198   1.198
  480   3HD1  LEU  62          HD22      LEU  62  -9.813   2.017   2.017
  481   1HD2  LEU  62          HD11      LEU  62 -10.299   2.641   2.641
  482   2HD2  LEU  62          HD13      LEU  62  -9.127   3.952   3.952
  483   3HD2  LEU  62          HD12      LEU  62  -8.680   2.319   2.319
  484    H    LEU  63           HN       LEU  63  -9.139   4.973   4.973
  485    HA   LEU  63           HA       LEU  63  -9.015   2.641   2.641
  486   1HB   LEU  63           HB2      LEU  63  -6.833   3.199   3.199
  487   2HB   LEU  63           HB1      LEU  63  -7.116   4.072   4.072
  488    HG   LEU  63           HG       LEU  63  -7.656   6.090   6.090
  489   1HD1  LEU  63          HD11      LEU  63  -7.189   4.130   4.130
  490   2HD1  LEU  63          HD13      LEU  63  -5.863   5.289   5.289
  491   3HD1  LEU  63          HD12      LEU  63  -7.531   5.846   5.846
  492   1HD2  LEU  63          HD22      LEU  63  -5.027   4.904   4.904
  493   2HD2  LEU  63          HD21      LEU  63  -5.737   6.442   6.442
  494   3HD2  LEU  63          HD23      LEU  63  -5.037   6.269   6.269
  495    H    LYS  64           HN       LYS  64  -9.470   6.042   6.042
  496    HA   LYS  64           HA       LYS  64  -9.451   5.646   5.646
  497   1HB   LYS  64           HB1      LYS  64  -9.241   7.858   7.858
  498   2HB   LYS  64           HB2      LYS  64 -10.936   7.768   7.768
  499   1HG   LYS  64           HG2      LYS  64 -11.549   7.693   7.693
  500   2HG   LYS  64           HG1      LYS  64  -9.844   7.873   7.873
  501   1HD   LYS  64           HD1      LYS  64 -10.632  10.052  10.052
  502   2HD   LYS  64           HD2      LYS  64  -9.945   9.983   9.983
  503   1HE   LYS  64           HE2      LYS  64 -12.314  11.014  11.014
  504   2HE   LYS  64           HE1      LYS  64 -12.000  10.004  10.004
  505   1HZ   LYS  64           HZ3      LYS  64 -13.144   8.958   8.958
  506   2HZ   LYS  64           HZ2      LYS  64 -14.089   9.484   9.484
  507   3HZ   LYS  64           HZ1      LYS  64 -13.047   8.167   8.167
  508    H    GLN  65           HN       GLN  65 -11.938   5.248   5.248
  509    HA   GLN  65           HA       GLN  65 -14.265   5.318   5.318
  510   1HB   GLN  65           HB2      GLN  65 -13.900   4.731   4.731
  511   2HB   GLN  65           HB1      GLN  65 -13.662   3.075   3.075
  512   1HG   GLN  65           HG2      GLN  65 -15.928   3.375   3.375
  513   2HG   GLN  65           HG1      GLN  65 -15.905   3.092   3.092
  514   1HE2  GLN  65          HE22      GLN  65 -18.258   5.746   5.746
  515   2HE2  GLN  65          HE21      GLN  65 -18.101   4.029   4.029
  516    H    GLY  66           HN       GLY  66 -11.723   2.941   2.941
  517   1HA   GLY  66           HA1      GLY  66 -11.893   1.975   1.975
  518   2HA   GLY  66           HA2      GLY  66 -13.373   1.276   1.276
  519    H    ALA  67           HN       ALA  67 -11.867   1.088   1.088
  520    HA   ALA  67           HA       ALA  67 -11.235  -1.618  -1.618
  521   1HB   ALA  67           HB2      ALA  67 -11.713  -0.236  -0.236
  522   2HB   ALA  67           HB1      ALA  67 -10.038   0.308   0.308
  523   3HB   ALA  67           HB3      ALA  67 -10.400  -1.403  -1.403
  524    H    SER  68           HN       SER  68  -9.230  -2.734  -2.734
  525    HA   SER  68           HA       SER  68  -7.067  -1.330  -1.330
  526   1HB   SER  68           HB2      SER  68  -7.456  -4.318  -4.318
  527   2HB   SER  68           HB1      SER  68  -6.348  -3.474  -3.474
  528    HG   SER  68           HG       SER  68  -8.490  -2.461  -2.461
  529    HA   PRO  69           HA       PRO  69  -4.751  -1.539  -1.539
  530   1HB   PRO  69           HB2      PRO  69  -2.374  -0.711  -0.711
  531   2HB   PRO  69           HB1      PRO  69  -3.709   0.390   0.390
  532   1HG   PRO  69           HG1      PRO  69  -2.885  -0.814  -0.814
  533   2HG   PRO  69           HG2      PRO  69  -3.390   0.847   0.847
  534   1HD   PRO  69           HD1      PRO  69  -5.058  -0.969  -0.969
  535   2HD   PRO  69           HD2      PRO  69  -5.632   0.300   0.300
  536    H    ASN  70           HN       ASN  70  -4.441  -3.513  -3.513
  537    HA   ASN  70           HA       ASN  70  -2.154  -4.989  -4.989
  538   1HB   ASN  70           HB2      ASN  70  -3.584  -5.040  -5.040
  539   2HB   ASN  70           HB1      ASN  70  -2.484  -6.332  -6.332
  540   1HD2  ASN  70          HD22      ASN  70  -0.991  -2.581  -2.581
  541   2HD2  ASN  70          HD21      ASN  70  -2.611  -2.791  -2.791
  542    H    VAL  71           HN       VAL  71  -3.802  -5.453  -5.453
  543    HA   VAL  71           HA       VAL  71  -5.298  -7.900  -7.900
  544    HB   VAL  71           HB       VAL  71  -6.708  -7.437  -7.437
  545   1HG1  VAL  71          HG21      VAL  71  -6.615  -5.809  -5.809
  546   2HG1  VAL  71          HG23      VAL  71  -7.572  -5.119  -5.119
  547   3HG1  VAL  71          HG22      VAL  71  -7.945  -6.731  -6.731
  548   1HG2  VAL  71          HG13      VAL  71  -5.102  -4.891  -4.891
  549   2HG2  VAL  71          HG12      VAL  71  -5.284  -6.096  -6.096
  550   3HG2  VAL  71          HG11      VAL  71  -6.653  -5.084  -5.084
  551    H    GLN  72           HN       GLN  72  -4.607  -9.727  -9.727
  552    HA   GLN  72           HA       GLN  72  -2.685  -9.567  -9.567
  553   1HB   GLN  72           HB2      GLN  72  -3.165 -12.038 -12.038
  554   2HB   GLN  72           HB1      GLN  72  -1.719 -11.553 -11.553
  555   1HG   GLN  72           HG1      GLN  72  -1.362  -9.759  -9.759
  556   2HG   GLN  72           HG2      GLN  72  -2.759 -10.352 -10.352
  557   1HE2  GLN  72          HE22      GLN  72   0.572 -12.736 -12.736
  558   2HE2  GLN  72          HE21      GLN  72   0.118 -11.775 -11.775
  559    H    ASP  73           HN       ASP  73  -2.937 -10.792 -10.792
  560    HA   ASP  73           HA       ASP  73  -5.533 -12.153 -12.153
  561   1HB   ASP  73           HB2      ASP  73  -4.089 -10.531 -10.531
  562   2HB   ASP  73           HB1      ASP  73  -5.495  -9.988  -9.988
  563    H    ALA  74           HN       ALA  74  -5.354 -14.233 -14.233
  564    HA   ALA  74           HA       ALA  74  -4.416 -16.251 -16.251
  565   1HB   ALA  74           HB3      ALA  74  -3.821 -14.493 -14.493
  566   2HB   ALA  74           HB2      ALA  74  -3.182 -16.137 -16.137
  567   3HB   ALA  74           HB1      ALA  74  -4.923 -15.865 -15.865
  568    H    SER  75           HN       SER  75  -1.790 -14.633 -14.633
  569    HA   SER  75           HA       SER  75   0.159 -16.064 -16.064
  570   1HB   SER  75           HB1      SER  75   1.575 -14.129 -14.129
  571   2HB   SER  75           HB2      SER  75   1.138 -15.706 -15.706
  572    HG   SER  75           HG       SER  75  -0.279 -13.268 -13.268
  573    H    GLY  76           HN       GLY  76   0.537 -12.624 -12.624
  574   1HA   GLY  76           HA2      GLY  76   0.103 -11.725 -11.725
  575   2HA   GLY  76           HA1      GLY  76   1.809 -12.082 -12.082
  576    H    THR  77           HN       THR  77  -0.561 -10.685 -10.685
  577    HA   THR  77           HA       THR  77   1.234  -8.373  -8.373
  578    HB   THR  77           HB       THR  77  -0.875  -8.686  -8.686
  579    HG1  THR  77           HG1      THR  77   0.084 -10.488 -10.488
  580   1HG2  THR  77          HG21      THR  77   1.227  -7.224  -7.224
  581   2HG2  THR  77          HG23      THR  77   2.073  -8.719  -8.719
  582   3HG2  THR  77          HG22      THR  77   0.772  -8.131  -8.131
  583    H    SER  78           HN       SER  78   0.340  -7.316  -7.316
  584    HA   SER  78           HA       SER  78  -2.463  -6.594  -6.594
  585   1HB   SER  78           HB2      SER  78  -0.411  -5.434  -5.434
  586   2HB   SER  78           HB1      SER  78  -2.129  -5.715  -5.715
  587    HG   SER  78           HG       SER  78  -0.254  -7.798  -7.798
  588    HA   PRO  79           HA       PRO  79  -2.563  -2.620  -2.620
  589   1HB   PRO  79           HB1      PRO  79  -2.936  -1.404  -1.404
  590   2HB   PRO  79           HB2      PRO  79  -3.864  -1.151  -1.151
  591   1HG   PRO  79           HG2      PRO  79  -4.822  -2.690  -2.690
  592   2HG   PRO  79           HG1      PRO  79  -5.047  -3.132  -3.132
  593   1HD   PRO  79           HD2      PRO  79  -3.204  -4.287  -4.287
  594   2HD   PRO  79           HD1      PRO  79  -4.022  -5.077  -5.077
  595    H    VAL  80           HN       VAL  80  -0.668  -2.831  -2.831
  596    HA   VAL  80           HA       VAL  80   0.877  -0.544  -0.544
  597    HB   VAL  80           HB       VAL  80   0.870  -2.847  -2.847
  598   1HG1  VAL  80          HG13      VAL  80   2.810  -3.592  -3.592
  599   2HG1  VAL  80          HG12      VAL  80   3.701  -2.213  -2.213
  600   3HG1  VAL  80          HG11      VAL  80   3.128  -3.476  -3.476
  601   1HG2  VAL  80          HG21      VAL  80   2.315  -0.216  -0.216
  602   2HG2  VAL  80          HG23      VAL  80   0.799  -0.666  -0.666
  603   3HG2  VAL  80          HG22      VAL  80   2.317  -1.379  -1.379
  604    H    HIS  81           HN       HIS  81   1.370  -3.738  -3.738
  605    HA   HIS  81           HA       HIS  81   3.879  -3.114  -3.114
  606   1HB   HIS  81           HB2      HIS  81   1.868  -5.252  -5.252
  607   2HB   HIS  81           HB1      HIS  81   3.531  -5.178  -5.178
  608    HD2  HIS  81           HD2      HIS  81   5.060  -6.868  -6.868
  609    HE1  HIS  81           HE1      HIS  81   3.018  -6.611  -6.611
  610    HE2  HIS  81           HE2      HIS  81   5.045  -7.554  -7.554
  611    H    ASP  82           HN       ASP  82   0.568  -3.256  -3.256
  612    HA   ASP  82           HA       ASP  82   1.117  -2.618  -2.618
  613   1HB   ASP  82           HB1      ASP  82  -1.331  -1.349  -1.349
  614   2HB   ASP  82           HB2      ASP  82  -1.185  -2.922  -2.922
  615    H    ALA  83           HN       ALA  83   0.290  -0.409  -0.409
  616    HA   ALA  83           HA       ALA  83   0.331   1.982   1.982
  617   1HB   ALA  83           HB2      ALA  83  -0.020   1.291   1.291
  618   2HB   ALA  83           HB1      ALA  83   1.550   2.088   2.088
  619   3HB   ALA  83           HB3      ALA  83   0.158   2.952   2.952
  620    H    ALA  84           HN       ALA  84   3.058   0.347   0.347
  621    HA   ALA  84           HA       ALA  84   5.003   2.270   2.270
  622   1HB   ALA  84           HB1      ALA  84   5.276   0.561   0.561
  623   2HB   ALA  84           HB3      ALA  84   5.427  -0.671  -0.671
  624   3HB   ALA  84           HB2      ALA  84   6.633   0.610   0.610
  625    H    ARG  85           HN       ARG  85   4.166  -0.832  -0.832
  626    HA   ARG  85           HA       ARG  85   6.032  -0.595  -0.595
  627   1HB   ARG  85           HB1      ARG  85   4.716  -2.671  -2.671
  628   2HB   ARG  85           HB2      ARG  85   3.465  -2.129  -2.129
  629   1HG   ARG  85           HG1      ARG  85   4.535  -2.991  -2.991
  630   2HG   ARG  85           HG2      ARG  85   6.031  -2.161  -2.161
  631   1HD   ARG  85           HD2      ARG  85   6.838  -4.215  -4.215
  632   2HD   ARG  85           HD1      ARG  85   5.924  -4.136  -4.136
  633    HE   ARG  85           HE       ARG  85   4.163  -5.086  -5.086
  634   1HH1  ARG  85          HH21      ARG  85   7.242  -6.070  -6.070
  635   2HH1  ARG  85          HH22      ARG  85   6.947  -7.761  -7.761
  636   1HH2  ARG  85          HH11      ARG  85   3.762  -7.311  -7.311
  637   2HH2  ARG  85          HH12      ARG  85   4.969  -8.466  -8.466
  638    H    THR  86           HN       THR  86   2.660   0.374   0.374
  639    HA   THR  86           HA       THR  86   2.249   1.072   1.072
  640    HB   THR  86           HB       THR  86   0.292   2.349   2.349
  641    HG1  THR  86           HG1      THR  86   0.895   1.367   1.367
  642   1HG2  THR  86          HG21      THR  86   0.771  -0.491  -0.491
  643   2HG2  THR  86          HG23      THR  86  -0.574   0.264   0.264
  644   3HG2  THR  86          HG22      THR  86  -0.530   0.282   0.282
  645    H    GLY  87           HN       GLY  87   3.711   2.708   2.708
  646   1HA   GLY  87           HA1      GLY  87   5.075   4.587   4.587
  647   2HA   GLY  87           HA2      GLY  87   4.663   4.798   4.798
  648    H    PHE  88           HN       PHE  88   3.318   5.139   5.139
  649    HA   PHE  88           HA       PHE  88   2.222   7.719   7.719
  650   1HB   PHE  88           HB2      PHE  88   0.506   5.326   5.326
  651   2HB   PHE  88           HB1      PHE  88  -0.049   6.937   6.937
  652    HD1  PHE  88           HD1      PHE  88   1.044   8.504   8.504
  653    HD2  PHE  88           HD2      PHE  88  -0.960   4.743   4.743
  654    HE1  PHE  88           HE1      PHE  88   0.236   8.868   8.868
  655    HE2  PHE  88           HE2      PHE  88  -1.771   5.099   5.099
  656    HZ   PHE  88           HZ       PHE  88  -1.175   7.160   7.160
  657    H    LEU  89           HN       LEU  89   4.181   7.600   7.600
  658    HA   LEU  89           HA       LEU  89   3.849   6.909   6.909
  659   1HB   LEU  89           HB2      LEU  89   5.990   7.580   7.580
  660   2HB   LEU  89           HB1      LEU  89   5.399   9.203   9.203
  661    HG   LEU  89           HG       LEU  89   5.166   9.562   9.562
  662   1HD1  LEU  89          HD22      LEU  89   4.869   7.051   7.051
  663   2HD1  LEU  89          HD21      LEU  89   6.632   6.984   6.984
  664   3HD1  LEU  89          HD23      LEU  89   5.786   7.992   7.992
  665   1HD2  LEU  89          HD11      LEU  89   7.248  10.153  10.153
  666   2HD2  LEU  89          HD13      LEU  89   7.511   9.759   9.759
  667   3HD2  LEU  89          HD12      LEU  89   7.915   8.582   8.582
  668    H    ASP  90           HN       ASP  90   2.237   9.383   9.383
  669    HA   ASP  90           HA       ASP  90   1.813  11.289  11.289
  670   1HB   ASP  90           HB2      ASP  90  -0.123  12.002  12.002
  671   2HB   ASP  90           HB1      ASP  90  -0.132  10.475  10.475
  672    H    THR  91           HN       THR  91  -0.712   9.043   9.043
  673    HA   THR  91           HA       THR  91  -2.053   9.196   9.196
  674    HB   THR  91           HB       THR  91  -2.945   8.681   8.681
  675    HG1  THR  91           HG1      THR  91  -4.816   8.331   8.331
  676   1HG2  THR  91          HG22      THR  91  -2.475   5.962   5.962
  677   2HG2  THR  91          HG21      THR  91  -3.746   6.287   6.287
  678   3HG2  THR  91          HG23      THR  91  -2.058   6.553   6.553
  679    H    LEU  92           HN       LEU  92   0.150   6.949   6.949
  680    HA   LEU  92           HA       LEU  92  -0.193   4.699   4.699
  681   1HB   LEU  92           HB2      LEU  92   1.287   4.584   4.584
  682   2HB   LEU  92           HB1      LEU  92   2.274   5.898   5.898
  683    HG   LEU  92           HG       LEU  92   2.056   3.260   3.260
  684   1HD1  LEU  92          HD13      LEU  92   2.984   3.350   3.350
  685   2HD1  LEU  92          HD12      LEU  92   4.442   3.844   3.844
  686   3HD1  LEU  92          HD11      LEU  92   3.671   2.304   2.304
  687   1HD2  LEU  92          HD22      LEU  92   3.580   5.754   5.754
  688   2HD2  LEU  92          HD21      LEU  92   3.086   4.557   4.557
  689   3HD2  LEU  92          HD23      LEU  92   4.506   4.265   4.265
  690    H    LYS  93           HN       LYS  93   2.106   7.357   7.357
  691    HA   LYS  93           HA       LYS  93   3.007   6.519   6.519
  692   1HB   LYS  93           HB1      LYS  93   3.962   8.649   8.649
  693   2HB   LYS  93           HB2      LYS  93   3.910   8.392   8.392
  694   1HG   LYS  93           HG1      LYS  93   2.154   9.898   9.898
  695   2HG   LYS  93           HG2      LYS  93   1.722   9.863   9.863
  696   1HD   LYS  93           HD1      LYS  93   2.819  11.872  11.872
  697   2HD   LYS  93           HD2      LYS  93   4.160  10.798  10.798
  698   1HE   LYS  93           HE2      LYS  93   5.192  11.184  11.184
  699   2HE   LYS  93           HE1      LYS  93   3.703  10.984  10.984
  700   1HZ   LYS  93           HZ3      LYS  93   3.750  13.422  13.422
  701   2HZ   LYS  93           HZ2      LYS  93   5.029  13.324  13.324
  702   3HZ   LYS  93           HZ1      LYS  93   3.433  13.171  13.171
  703    H    VAL  94           HN       VAL  94   0.123   8.327   8.327
  704    HA   VAL  94           HA       VAL  94  -0.615   9.299   9.299
  705    HB   VAL  94           HB       VAL  94  -2.339   8.375   8.375
  706   1HG1  VAL  94          HG22      VAL  94  -3.141   9.752   9.752
  707   2HG1  VAL  94          HG21      VAL  94  -4.159   9.669   9.669
  708   3HG1  VAL  94          HG23      VAL  94  -3.697   8.188   8.188
  709   1HG2  VAL  94          HG13      VAL  94  -0.762  10.405  10.405
  710   2HG2  VAL  94          HG12      VAL  94  -2.444  10.609  10.609
  711   3HG2  VAL  94          HG11      VAL  94  -1.910  11.195  11.195
  712    H    LEU  95           HN       LEU  95  -1.872   6.341   6.341
  713    HA   LEU  95           HA       LEU  95  -2.954   5.349   5.349
  714   1HB   LEU  95           HB1      LEU  95  -3.592   3.413   3.413
  715   2HB   LEU  95           HB2      LEU  95  -3.891   4.829   4.829
  716    HG   LEU  95           HG       LEU  95  -1.292   3.967   3.967
  717   1HD1  LEU  95          HD23      LEU  95  -2.136   1.821   1.821
  718   2HD1  LEU  95          HD22      LEU  95  -3.163   1.646   1.646
  719   3HD1  LEU  95          HD21      LEU  95  -1.410   1.692   1.692
  720   1HD2  LEU  95          HD13      LEU  95  -3.552   4.823   4.823
  721   2HD2  LEU  95          HD12      LEU  95  -2.091   4.243   4.243
  722   3HD2  LEU  95          HD11      LEU  95  -3.443   3.143   3.143
  723    H    VAL  96           HN       VAL  96   0.015   4.892   4.892
  724    HA   VAL  96           HA       VAL  96   0.914   2.597   2.597
  725    HB   VAL  96           HB       VAL  96   2.293   4.604   4.604
  726   1HG1  VAL  96          HG11      VAL  96   3.533   2.478   2.478
  727   2HG1  VAL  96          HG13      VAL  96   4.244   2.902   2.902
  728   3HG1  VAL  96          HG12      VAL  96   4.077   4.128   4.128
  729   1HG2  VAL  96          HG21      VAL  96   1.274   1.826   1.826
  730   2HG2  VAL  96          HG23      VAL  96   1.208   3.162   3.162
  731   3HG2  VAL  96          HG22      VAL  96   2.709   2.263   2.263
  732    H    GLU  97           HN       GLU  97   1.634   6.069   6.069
  733    HA   GLU  97           HA       GLU  97   3.526   5.924   5.924
  734   1HB   GLU  97           HB2      GLU  97   3.068   8.240   8.240
  735   2HB   GLU  97           HB1      GLU  97   2.925   7.972   7.972
  736   1HG   GLU  97           HG1      GLU  97   0.590   8.051   8.051
  737   2HG   GLU  97           HG2      GLU  97   1.173   9.440   9.440
  738    H    HIS  98           HN       HIS  98   0.038   5.718   5.718
  739    HA   HIS  98           HA       HIS  98  -0.234   6.090   6.090
  740   1HB   HIS  98           HB2      HIS  98  -1.945   5.485   5.485
  741   2HB   HIS  98           HB1      HIS  98  -2.305   4.384   4.384
  742    HD2  HIS  98           HD2      HIS  98  -4.613   6.425   6.425
  743    HE1  HIS  98           HE1      HIS  98  -2.997   8.729   8.729
  744    HE2  HIS  98           HE2      HIS  98  -5.086   8.212   8.212
  745    H    GLY  99           HN       GLY  99   1.040   3.538   3.538
  746   1HA   GLY  99           HA2      GLY  99   2.165   1.977   1.977
  747   2HA   GLY  99           HA1      GLY  99   0.491   1.549   1.549
  748    H    ALA 100           HN       ALA 100  -0.772   0.924   0.924
  749    HA   ALA 100           HA       ALA 100  -1.065  -0.790  -0.790
  750   1HB   ALA 100           HB2      ALA 100  -0.153   1.218   1.218
  751   2HB   ALA 100           HB1      ALA 100   1.356   0.309   0.309
  752   3HB   ALA 100           HB3      ALA 100  -0.117  -0.360  -0.360
  753    H    ASP 101           HN       ASP 101   0.637  -2.235  -2.235
  754    HA   ASP 101           HA       ASP 101   2.224  -3.721  -3.721
  755   1HB   ASP 101           HB2      ASP 101   1.250  -4.939  -4.939
  756   2HB   ASP 101           HB1      ASP 101   0.149  -4.768  -4.768
  757    H    VAL 102           HN       VAL 102   3.799  -1.915  -1.915
  758    HA   VAL 102           HA       VAL 102   5.074  -2.287  -2.287
  759    HB   VAL 102           HB       VAL 102   6.782  -0.673  -0.673
  760   1HG1  VAL 102          HG13      VAL 102   4.554  -0.181  -0.181
  761   2HG1  VAL 102          HG12      VAL 102   4.072   0.542   0.542
  762   3HG1  VAL 102          HG11      VAL 102   5.504   1.134   1.134
  763   1HG2  VAL 102          HG21      VAL 102   6.084  -1.343  -1.343
  764   2HG2  VAL 102          HG23      VAL 102   6.477   0.343   0.343
  765   3HG2  VAL 102          HG22      VAL 102   4.792  -0.166  -0.166
  766    H    ASN 103           HN       ASN 103   5.072  -4.220  -4.220
  767    HA   ASN 103           HA       ASN 103   7.908  -4.953  -4.953
  768   1HB   ASN 103           HB1      ASN 103   6.522  -5.867  -5.867
  769   2HB   ASN 103           HB2      ASN 103   8.164  -5.264  -5.264
  770   1HD2  ASN 103          HD22      ASN 103   7.405  -1.948  -1.948
  771   2HD2  ASN 103          HD21      ASN 103   8.550  -3.051  -3.051
  772    H    ALA 104           HN       ALA 104   5.453  -5.819  -5.819
  773    HA   ALA 104           HA       ALA 104   5.629  -8.702  -8.702
  774   1HB   ALA 104           HB2      ALA 104   3.289  -7.039  -7.039
  775   2HB   ALA 104           HB1      ALA 104   3.332  -8.779  -8.779
  776   3HB   ALA 104           HB3      ALA 104   3.418  -8.149  -8.149
  777    H    LEU 105           HN       LEU 105   6.385  -9.966  -9.966
  778    HA   LEU 105           HA       LEU 105   7.076  -8.778  -8.778
  779   1HB   LEU 105           HB2      LEU 105   7.514 -11.660 -11.660
  780   2HB   LEU 105           HB1      LEU 105   8.476 -10.601 -10.601
  781    HG   LEU 105           HG       LEU 105   8.303 -10.361 -10.361
  782   1HD1  LEU 105          HD12      LEU 105   9.488 -12.421 -12.421
  783   2HD1  LEU 105          HD11      LEU 105  10.812 -11.262 -11.262
  784   3HD1  LEU 105          HD13      LEU 105   9.989 -11.815 -11.815
  785   1HD2  LEU 105          HD22      LEU 105   9.677  -8.866  -8.866
  786   2HD2  LEU 105          HD21      LEU 105   9.044  -8.307  -8.307
  787   3HD2  LEU 105          HD23      LEU 105  10.585  -9.162  -9.162
  788    H    ASP 106           HN       ASP 106   6.650  -9.957  -9.957
  789    HA   ASP 106           HA       ASP 106   3.867 -10.734 -10.734
  790   1HB   ASP 106           HB1      ASP 106   5.902 -10.239 -10.239
  791   2HB   ASP 106           HB2      ASP 106   4.638  -9.133  -9.133
  792    H    SER 107           HN       SER 107   6.420 -12.028 -12.028
  793    HA   SER 107           HA       SER 107   5.844 -14.723 -14.723
  794   1HB   SER 107           HB2      SER 107   4.589 -14.699 -14.699
  795   2HB   SER 107           HB1      SER 107   5.826 -13.788 -13.788
  796    HG   SER 107           HG       SER 107   5.870 -16.503 -16.503
  797    H    THR 108           HN       THR 108   8.029 -12.726 -12.726
  798    HA   THR 108           HA       THR 108  10.195 -14.613 -14.613
  799    HB   THR 108           HB       THR 108  10.821 -11.865 -11.865
  800    HG1  THR 108           HG1      THR 108   9.310 -13.389 -13.389
  801   1HG2  THR 108          HG22      THR 108  11.883 -14.395 -14.395
  802   2HG2  THR 108          HG21      THR 108  11.170 -13.938 -13.938
  803   3HG2  THR 108          HG23      THR 108  12.367 -12.891 -12.891
  804    H    GLY 109           HN       GLY 109   8.844 -12.786 -12.786
  805   1HA   GLY 109           HA2      GLY 109   9.567 -12.101 -12.101
  806   2HA   GLY 109           HA1      GLY 109  11.150 -12.750 -12.750
  807    H    SER 110           HN       SER 110  10.058 -10.582 -10.582
  808    HA   SER 110           HA       SER 110  12.060  -8.656  -8.656
  809   1HB   SER 110           HB1      SER 110  11.350  -7.485  -7.485
  810   2HB   SER 110           HB2      SER 110  11.726  -9.184  -9.184
  811    HG   SER 110           HG       SER 110   9.166  -9.049  -9.049
  812    H    LEU 111           HN       LEU 111  11.406  -7.689  -7.689
  813    HA   LEU 111           HA       LEU 111   9.037  -6.835  -6.835
  814   1HB   LEU 111           HB2      LEU 111  11.740  -6.071  -6.071
  815   2HB   LEU 111           HB1      LEU 111  10.798  -4.598  -4.598
  816    HG   LEU 111           HG       LEU 111   9.503  -6.521  -6.521
  817   1HD1  LEU 111          HD13      LEU 111  12.355  -6.394  -6.394
  818   2HD1  LEU 111          HD12      LEU 111  11.628  -5.674  -5.674
  819   3HD1  LEU 111          HD11      LEU 111  11.211  -7.323  -7.323
  820   1HD2  LEU 111          HD23      LEU 111  10.052  -3.691  -3.691
  821   2HD2  LEU 111          HD22      LEU 111   8.733  -4.533  -4.533
  822   3HD2  LEU 111          HD21      LEU 111  10.270  -4.289  -4.289
  823    HA   PRO 112           HA       PRO 112   6.859  -4.159  -4.159
  824   1HB   PRO 112           HB2      PRO 112   6.824  -2.312  -2.312
  825   2HB   PRO 112           HB1      PRO 112   5.503  -2.777  -2.777
  826   1HG   PRO 112           HG1      PRO 112   5.731  -3.886  -3.886
  827   2HG   PRO 112           HG2      PRO 112   5.234  -4.853  -4.853
  828   1HD   PRO 112           HD1      PRO 112   7.826  -4.821  -4.821
  829   2HD   PRO 112           HD2      PRO 112   7.041  -6.144  -6.144
  830    H    ILE 113           HN       ILE 113   9.532  -2.946  -2.946
  831    HA   ILE 113           HA       ILE 113   9.905  -0.543  -0.543
  832    HB   ILE 113           HB       ILE 113  10.767  -0.509  -0.509
  833   1HG1  ILE 113          HG11      ILE 113  13.112   0.043   0.043
  834   2HG1  ILE 113          HG12      ILE 113  13.156  -0.889  -0.889
  835   1HG2  ILE 113          HG21      ILE 113  11.713  -3.201  -3.201
  836   2HG2  ILE 113          HG23      ILE 113  12.830  -2.249  -2.249
  837   3HG2  ILE 113          HG22      ILE 113  11.186  -2.535  -2.535
  838   1HD1  ILE 113          HD11      ILE 113  11.245   0.768   0.768
  839   2HD1  ILE 113          HD13      ILE 113  11.984   1.783   1.783
  840   3HD1  ILE 113          HD12      ILE 113  12.945   1.219   1.219
  841    H    HIS 114           HN       HIS 114  11.175  -3.815  -3.815
  842    HA   HIS 114           HA       HIS 114  13.319  -3.402  -3.402
  843   1HB   HIS 114           HB1      HIS 114  11.508  -5.754  -5.754
  844   2HB   HIS 114           HB2      HIS 114  12.783  -5.827  -5.827
  845    HD2  HIS 114           HD2      HIS 114  15.250  -6.397  -6.397
  846    HE1  HIS 114           HE1      HIS 114  14.319  -5.996  -5.996
  847    HE2  HIS 114           HE2      HIS 114  16.148  -6.513  -6.513
  848    H    LEU 115           HN       LEU 115   9.897  -4.004  -4.004
  849    HA   LEU 115           HA       LEU 115  10.089  -4.177  -4.177
  850   1HB   LEU 115           HB2      LEU 115   7.717  -2.841  -2.841
  851   2HB   LEU 115           HB1      LEU 115   7.793  -4.079  -4.079
  852    HG   LEU 115           HG       LEU 115   8.076  -4.452  -4.452
  853   1HD1  LEU 115          HD12      LEU 115   5.817  -4.296  -4.296
  854   2HD1  LEU 115          HD11      LEU 115   6.192  -5.996  -5.996
  855   3HD1  LEU 115          HD13      LEU 115   6.013  -5.391  -5.391
  856   1HD2  LEU 115          HD21      LEU 115   9.609  -5.826  -5.826
  857   2HD2  LEU 115          HD23      LEU 115   8.861  -6.569  -6.569
  858   3HD2  LEU 115          HD22      LEU 115   8.127  -6.765  -6.765
  859    H    ALA 116           HN       ALA 116   9.667  -1.373  -1.373
  860    HA   ALA 116           HA       ALA 116   9.256   0.590   0.590
  861   1HB   ALA 116           HB1      ALA 116   9.155   0.825   0.825
  862   2HB   ALA 116           HB3      ALA 116  10.907   1.017   1.017
  863   3HB   ALA 116           HB2      ALA 116   9.872   2.173   2.173
  864    H    ILE 117           HN       ILE 117  12.320  -0.601  -0.601
  865    HA   ILE 117           HA       ILE 117  14.065   1.045   1.045
  866    HB   ILE 117           HB       ILE 117  14.447  -1.801  -1.801
  867   1HG1  ILE 117          HG11      ILE 117  15.526   0.762   0.762
  868   2HG1  ILE 117          HG12      ILE 117  14.004   0.040   0.040
  869   1HG2  ILE 117          HG22      ILE 117  16.395   0.147   0.147
  870   2HG2  ILE 117          HG21      ILE 117  16.909  -1.189  -1.189
  871   3HG2  ILE 117          HG23      ILE 117  16.065  -1.518  -1.518
  872   1HD1  ILE 117          HD11      ILE 117  16.548  -1.528  -1.528
  873   2HD1  ILE 117          HD13      ILE 117  16.108  -0.446  -0.446
  874   3HD1  ILE 117          HD12      ILE 117  15.056  -1.798  -1.798
  875    H    ARG 118           HN       ARG 118  12.577  -2.032  -2.032
  876    HA   ARG 118           HA       ARG 118  13.986  -2.409  -2.409
  877   1HB   ARG 118           HB1      ARG 118  11.138  -3.272  -3.272
  878   2HB   ARG 118           HB2      ARG 118  12.326  -4.030  -4.030
  879   1HG   ARG 118           HG1      ARG 118  13.369  -3.956  -3.956
  880   2HG   ARG 118           HG2      ARG 118  11.734  -4.618  -4.618
  881   1HD   ARG 118           HD1      ARG 118  12.309  -6.281  -6.281
  882   2HD   ARG 118           HD2      ARG 118  13.906  -5.567  -5.567
  883    HE   ARG 118           HE       ARG 118  14.598  -6.551  -6.551
  884   1HH1  ARG 118          HH11      ARG 118  11.171  -6.974  -6.974
  885   2HH1  ARG 118          HH12      ARG 118  11.022  -8.149  -8.149
  886   1HH2  ARG 118          HH21      ARG 118  14.416  -8.096  -8.096
  887   2HH2  ARG 118          HH22      ARG 118  12.869  -8.787  -8.787
  888    H    GLU 119           HN       GLU 119  11.480  -0.242  -0.242
  889    HA   GLU 119           HA       GLU 119  10.696   0.279   0.279
  890   1HB   GLU 119           HB1      GLU 119   9.796   1.554   1.554
  891   2HB   GLU 119           HB2      GLU 119   9.120   1.900   1.900
  892   1HG   GLU 119           HG2      GLU 119   9.134  -0.866  -0.866
  893   2HG   GLU 119           HG1      GLU 119   7.845   0.290   0.290
  894    H    GLY 120           HN       GLY 120  12.014   2.161   2.161
  895   1HA   GLY 120           HA2      GLY 120  14.040   3.489   3.489
  896   2HA   GLY 120           HA1      GLY 120  13.328   3.897   3.897
  897    H    HIS 121           HN       HIS 121  10.758   3.941   3.941
  898    HA   HIS 121           HA       HIS 121  10.338   6.664   6.664
  899   1HB   HIS 121           HB2      HIS 121   9.275   4.636   4.636
  900   2HB   HIS 121           HB1      HIS 121   8.616   6.252   6.252
  901    HD2  HIS 121           HD2      HIS 121   8.327   2.732   2.732
  902    HE1  HIS 121           HE1      HIS 121   6.241   5.344   5.344
  903    HE2  HIS 121           HE2      HIS 121   6.818   2.925   2.925
  904    H    SER 122           HN       SER 122  12.294   7.678   7.678
  905    HA   SER 122           HA       SER 122  13.825   7.418   7.418
  906   1HB   SER 122           HB1      SER 122  14.053   9.947   9.947
  907   2HB   SER 122           HB2      SER 122  14.338   9.159   9.159
  908    HG   SER 122           HG       SER 122  12.017   9.639   9.639
  909    H    SER 123           HN       SER 123  10.607   8.862   8.862
  910    HA   SER 123           HA       SER 123  10.651   9.696   9.696
  911   1HB   SER 123           HB1      SER 123   8.552  10.545  10.545
  912   2HB   SER 123           HB2      SER 123   9.111  10.415  10.415
  913    HG   SER 123           HG       SER 123   7.268   9.348   9.348
  914    H    VAL 124           HN       VAL 124   8.675   7.182   7.182
  915    HA   VAL 124           HA       VAL 124   7.762   5.959   5.959
  916    HB   VAL 124           HB       VAL 124   8.203   4.852   4.852
  917   1HG1  VAL 124          HG13      VAL 124   8.386   3.002   3.002
  918   2HG1  VAL 124          HG12      VAL 124   6.855   3.474   3.474
  919   3HG1  VAL 124          HG11      VAL 124   6.890   2.899   2.899
  920   1HG2  VAL 124          HG23      VAL 124   6.471   6.562   6.562
  921   2HG2  VAL 124          HG22      VAL 124   5.778   4.992   4.992
  922   3HG2  VAL 124          HG21      VAL 124   5.700   5.585   5.585
  923    H    VAL 125           HN       VAL 125  10.464   4.848   4.848
  924    HA   VAL 125           HA       VAL 125  11.322   2.740   2.740
  925    HB   VAL 125           HB       VAL 125  13.283   4.552   4.552
  926   1HG1  VAL 125          HG13      VAL 125  13.980   2.503   2.503
  927   2HG1  VAL 125          HG12      VAL 125  13.203   1.550   1.550
  928   3HG1  VAL 125          HG11      VAL 125  14.560   2.604   2.604
  929   1HG2  VAL 125          HG22      VAL 125  10.997   3.193   3.193
  930   2HG2  VAL 125          HG21      VAL 125  12.089   4.382   4.382
  931   3HG2  VAL 125          HG23      VAL 125  12.525   2.674   2.674
  932    H    SER 126           HN       SER 126  12.546   6.093   6.093
  933    HA   SER 126           HA       SER 126  14.242   5.679   5.679
  934   1HB   SER 126           HB1      SER 126  14.529   7.598   7.598
  935   2HB   SER 126           HB2      SER 126  12.955   8.230   8.230
  936    HG   SER 126           HG       SER 126  13.803   8.981   8.981
  937    H    PHE 127           HN       PHE 127  10.864   6.446   6.446
  938    HA   PHE 127           HA       PHE 127  10.522   7.218   7.218
  939   1HB   PHE 127           HB1      PHE 127   8.930   7.991   7.991
  940   2HB   PHE 127           HB2      PHE 127   8.528   6.337   6.337
  941    HD1  PHE 127           HD2      PHE 127   8.164   8.926   8.926
  942    HD2  PHE 127           HD1      PHE 127   7.041   5.009   5.009
  943    HE1  PHE 127           HE2      PHE 127   6.362   8.907   8.907
  944    HE2  PHE 127           HE1      PHE 127   5.237   4.982   4.982
  945    HZ   PHE 127           HZ       PHE 127   4.897   6.933   6.933
  946    H    LEU 128           HN       LEU 128   9.851   4.235   4.235
  947    HA   LEU 128           HA       LEU 128   8.877   2.791   2.791
  948   1HB   LEU 128           HB2      LEU 128   9.418   2.290   2.290
  949   2HB   LEU 128           HB1      LEU 128   9.931   0.936   0.936
  950    HG   LEU 128           HG       LEU 128   7.314   1.797   1.797
  951   1HD1  LEU 128          HD21      LEU 128   7.543   2.473   2.473
  952   2HD1  LEU 128          HD23      LEU 128   7.182   0.759   0.759
  953   3HD1  LEU 128          HD22      LEU 128   6.059   1.796   1.796
  954   1HD2  LEU 128          HD11      LEU 128   8.805  -0.566  -0.566
  955   2HD2  LEU 128          HD13      LEU 128   7.230  -0.383  -0.383
  956   3HD2  LEU 128          HD12      LEU 128   7.331  -0.718  -0.718
  957    H    ALA 129           HN       ALA 129  11.963   3.849   3.849
  958    HA   ALA 129           HA       ALA 129  13.539   1.657   1.657
  959   1HB   ALA 129           HB1      ALA 129  14.012   4.575   4.575
  960   2HB   ALA 129           HB3      ALA 129  15.210   3.621   3.621
  961   3HB   ALA 129           HB2      ALA 129  14.784   3.197   3.197
  962    HA   PRO 130           HA       PRO 130  13.782   3.788   3.788
  963   1HB   PRO 130           HB2      PRO 130  12.161   5.930   5.930
  964   2HB   PRO 130           HB1      PRO 130  13.805   6.076   6.076
  965   1HG   PRO 130           HG2      PRO 130  11.199   6.106   6.106
  966   2HG   PRO 130           HG1      PRO 130  12.618   7.147   7.147
  967   1HD   PRO 130           HD2      PRO 130  12.103   5.059   5.059
  968   2HD   PRO 130           HD1      PRO 130  13.758   5.550   5.550
  969    H    GLU 131           HN       GLU 131  10.525   4.240   4.240
  970    HA   GLU 131           HA       GLU 131   9.004   3.605   3.605
  971   1HB   GLU 131           HB1      GLU 131   8.467   2.999   2.999
  972   2HB   GLU 131           HB2      GLU 131   7.263   2.850   2.850
  973   1HG   GLU 131           HG2      GLU 131   8.656   5.367   5.367
  974   2HG   GLU 131           HG1      GLU 131   6.967   4.935   4.935
  975    H    SER 132           HN       SER 132  10.322   1.392   1.392
  976    HA   SER 132           HA       SER 132   9.309  -0.942  -0.942
  977   1HB   SER 132           HB2      SER 132  11.176  -0.524  -0.524
  978   2HB   SER 132           HB1      SER 132  10.841  -2.129  -2.129
  979    HG   SER 132           HG       SER 132   9.347  -1.845  -1.845
  980    H    ASP 133           HN       ASP 133  10.280  -2.189  -2.189
  981    HA   ASP 133           HA       ASP 133  12.195  -1.440  -1.440
  982   1HB   ASP 133           HB2      ASP 133  11.237  -4.065  -4.065
  983   2HB   ASP 133           HB1      ASP 133  12.825  -4.097  -4.097
  984    H    LEU 134           HN       LEU 134  13.935  -0.308  -0.308
  985    HA   LEU 134           HA       LEU 134  15.519  -0.934  -0.934
  986   1HB   LEU 134           HB1      LEU 134  15.852   0.698   0.698
  987   2HB   LEU 134           HB2      LEU 134  17.296   0.320   0.320
  988    HG   LEU 134           HG       LEU 134  14.928   1.956   1.956
  989   1HD1  LEU 134          HD13      LEU 134  17.831   2.372   2.372
  990   2HD1  LEU 134          HD12      LEU 134  17.048   3.304   3.304
  991   3HD1  LEU 134          HD11      LEU 134  16.463   3.417   3.417
  992   1HD2  LEU 134          HD22      LEU 134  16.944   0.606   0.606
  993   2HD2  LEU 134          HD21      LEU 134  15.184   0.505   0.505
  994   3HD2  LEU 134          HD23      LEU 134  16.000   2.010   2.010
  995    H    HIS 135           HN       HIS 135  17.479  -1.997  -1.997
  996    HA   HIS 135           HA       HIS 135  19.263  -3.362  -3.362
  997   1HB   HIS 135           HB2      HIS 135  18.966  -2.493  -2.493
  998   2HB   HIS 135           HB1      HIS 135  17.981  -3.924  -3.924
  999    HD2  HIS 135           HD2      HIS 135  21.379  -3.959  -3.959
 1000    HE1  HIS 135           HE1      HIS 135  21.725  -6.283  -6.283
 1001    HE2  HIS 135           HE2      HIS 135  22.806  -5.690  -5.690
 1002    H    HIS 136           HN       HIS 136  15.934  -4.126  -4.126
 1003    HA   HIS 136           HA       HIS 136  15.769  -6.806  -6.806
 1004   1HB   HIS 136           HB2      HIS 136  13.811  -6.797  -6.797
 1005   2HB   HIS 136           HB1      HIS 136  13.813  -5.406  -5.406
 1006    HD2  HIS 136           HD2      HIS 136  15.470  -5.774  -5.774
 1007    HE1  HIS 136           HE1      HIS 136  12.949  -2.376  -2.376
 1008    HE2  HIS 136           HE2      HIS 136  14.442  -3.808  -3.808
 1009    H    ARG 137           HN       ARG 137  15.371  -8.536  -8.536
 1010    HA   ARG 137           HA       ARG 137  17.361  -8.326  -8.326
 1011   1HB   ARG 137           HB1      ARG 137  16.866 -10.502 -10.502
 1012   2HB   ARG 137           HB2      ARG 137  17.441 -10.933 -10.933
 1013   1HG   ARG 137           HG2      ARG 137  19.468  -9.853  -9.853
 1014   2HG   ARG 137           HG1      ARG 137  18.851  -8.840  -8.840
 1015   1HD   ARG 137           HD2      ARG 137  18.555 -11.051 -11.051
 1016   2HD   ARG 137           HD1      ARG 137  19.637 -11.731 -11.731
 1017    HE   ARG 137           HE       ARG 137  21.060  -9.645  -9.645
 1018   1HH1  ARG 137          HH11      ARG 137  19.276 -11.983 -11.983
 1019   2HH1  ARG 137          HH12      ARG 137  20.317 -11.868 -11.868
 1020   1HH2  ARG 137          HH21      ARG 137  22.436  -9.487  -9.487
 1021   2HH2  ARG 137          HH22      ARG 137  22.116 -10.449 -10.449
 1022    H    ASP 138           HN       ASP 138  16.920 -10.581 -10.581
 1023    HA   ASP 138           HA       ASP 138  14.055 -10.559 -10.559
 1024   1HB   ASP 138           HB2      ASP 138  16.107  -9.476  -9.476
 1025   2HB   ASP 138           HB1      ASP 138  15.700 -11.016 -11.016
 1026    H    ALA 139           HN       ALA 139  13.336 -12.467 -12.467
 1027    HA   ALA 139           HA       ALA 139  14.262 -14.857 -14.857
 1028   1HB   ALA 139           HB3      ALA 139  12.357 -14.272 -14.272
 1029   2HB   ALA 139           HB2      ALA 139  12.764 -15.926 -15.926
 1030   3HB   ALA 139           HB1      ALA 139  12.006 -14.848 -14.848
 1031    H    SER 140           HN       SER 140  15.507 -13.061 -13.061
 1032    HA   SER 140           HA       SER 140  16.832 -15.405 -15.405
 1033   1HB   SER 140           HB1      SER 140  16.930 -14.310 -14.310
 1034   2HB   SER 140           HB2      SER 140  15.443 -13.622 -13.622
 1035    HG   SER 140           HG       SER 140  17.110 -12.002 -12.002
 1036    H    GLY 141           HN       GLY 141  17.309 -12.478 -12.478
 1037   1HA   GLY 141           HA2      GLY 141  19.329 -12.329 -12.329
 1038   2HA   GLY 141           HA1      GLY 141  20.213 -12.999 -12.999
 1039    H    LEU 142           HN       LEU 142  17.764 -10.545 -10.545
 1040    HA   LEU 142           HA       LEU 142  19.866  -8.695  -8.695
 1041   1HB   LEU 142           HB2      LEU 142  16.918  -8.824  -8.824
 1042   2HB   LEU 142           HB1      LEU 142  17.947  -7.495  -7.495
 1043    HG   LEU 142           HG       LEU 142  18.104 -10.366 -10.366
 1044   1HD1  LEU 142          HD12      LEU 142  16.600  -8.278  -8.278
 1045   2HD1  LEU 142          HD11      LEU 142  18.034  -8.216  -8.216
 1046   3HD1  LEU 142          HD13      LEU 142  17.082  -9.697  -9.697
 1047   1HD2  LEU 142          HD23      LEU 142  20.361  -9.452  -9.452
 1048   2HD2  LEU 142          HD22      LEU 142  20.031  -9.756  -9.756
 1049   3HD2  LEU 142          HD21      LEU 142  19.978  -8.109  -8.109
 1050    H    THR 143           HN       THR 143  18.909  -6.283  -6.283
 1051    HA   THR 143           HA       THR 143  17.431  -5.660  -5.660
 1052    HB   THR 143           HB       THR 143  19.857  -4.461  -4.461
 1053    HG1  THR 143           HG1      THR 143  20.285  -7.234  -7.234
 1054   1HG2  THR 143          HG22      THR 143  17.915  -6.196  -6.196
 1055   2HG2  THR 143          HG21      THR 143  19.533  -6.746  -6.746
 1056   3HG2  THR 143          HG23      THR 143  19.041  -5.091  -5.091
 1057    HA   PRO 144           HA       PRO 144  17.076  -1.535  -1.535
 1058   1HB   PRO 144           HB1      PRO 144  18.891  -0.502  -0.502
 1059   2HB   PRO 144           HB2      PRO 144  17.282   0.055   0.055
 1060   1HG   PRO 144           HG2      PRO 144  17.609  -1.397  -1.397
 1061   2HG   PRO 144           HG1      PRO 144  16.207  -1.654  -1.654
 1062   1HD   PRO 144           HD2      PRO 144  18.672  -3.305  -3.305
 1063   2HD   PRO 144           HD1      PRO 144  17.004  -3.816  -3.816
 1064    H    LEU 145           HN       LEU 145  20.388  -1.659  -1.659
 1065    HA   LEU 145           HA       LEU 145  21.493  -0.106  -0.106
 1066   1HB   LEU 145           HB2      LEU 145  22.403  -1.351  -1.351
 1067   2HB   LEU 145           HB1      LEU 145  23.551  -1.645  -1.645
 1068    HG   LEU 145           HG       LEU 145  22.606   1.036   1.036
 1069   1HD1  LEU 145          HD13      LEU 145  24.730  -0.674  -0.674
 1070   2HD1  LEU 145          HD12      LEU 145  25.429   0.713   0.713
 1071   3HD1  LEU 145          HD11      LEU 145  24.385   0.962   0.962
 1072   1HD2  LEU 145          HD21      LEU 145  23.946   0.249   0.249
 1073   2HD2  LEU 145          HD23      LEU 145  22.885   1.615   1.615
 1074   3HD2  LEU 145          HD22      LEU 145  24.578   1.669   1.669
 1075    H    GLU 146           HN       GLU 146  21.437  -3.590  -3.590
 1076    HA   GLU 146           HA       GLU 146  23.054  -4.464  -4.464
 1077   1HB   GLU 146           HB2      GLU 146  21.688  -5.708  -5.708
 1078   2HB   GLU 146           HB1      GLU 146  20.639  -6.081  -6.081
 1079   1HG   GLU 146           HG1      GLU 146  23.260  -6.586  -6.586
 1080   2HG   GLU 146           HG2      GLU 146  23.128  -7.269  -7.269
 1081    H    LEU 147           HN       LEU 147  19.486  -4.311  -4.311
 1082    HA   LEU 147           HA       LEU 147  19.078  -4.904  -4.904
 1083   1HB   LEU 147           HB2      LEU 147  17.528  -3.932  -3.932
 1084   2HB   LEU 147           HB1      LEU 147  17.207  -2.891  -2.891
 1085    HG   LEU 147           HG       LEU 147  16.818  -5.879  -5.879
 1086   1HD1  LEU 147          HD13      LEU 147  15.071  -4.545  -4.545
 1087   2HD1  LEU 147          HD12      LEU 147  14.883  -3.605  -3.605
 1088   3HD1  LEU 147          HD11      LEU 147  14.479  -5.322  -5.322
 1089   1HD2  LEU 147          HD23      LEU 147  17.665  -4.599  -4.599
 1090   2HD2  LEU 147          HD22      LEU 147  16.639  -6.033  -6.033
 1091   3HD2  LEU 147          HD21      LEU 147  15.917  -4.431  -4.431
 1092    H    ALA 148           HN       ALA 148  19.410  -1.682  -1.682
 1093    HA   ALA 148           HA       ALA 148  19.205  -0.141  -0.141
 1094   1HB   ALA 148           HB1      ALA 148  19.582   0.450   0.450
 1095   2HB   ALA 148           HB3      ALA 148  21.229   0.697   0.697
 1096   3HB   ALA 148           HB2      ALA 148  19.897   1.605   1.605
 1097    H    ARG 149           HN       ARG 149  21.940  -1.946  -1.946
 1098    HA   ARG 149           HA       ARG 149  23.915  -0.914  -0.914
 1099   1HB   ARG 149           HB1      ARG 149  24.049  -2.528  -2.528
 1100   2HB   ARG 149           HB2      ARG 149  24.036  -3.767  -3.767
 1101   1HG   ARG 149           HG2      ARG 149  26.044  -2.997  -2.997
 1102   2HG   ARG 149           HG1      ARG 149  25.963  -1.469  -1.469
 1103   1HD   ARG 149           HD2      ARG 149  25.909  -3.493  -3.493
 1104   2HD   ARG 149           HD1      ARG 149  27.150  -3.965  -3.965
 1105    HE   ARG 149           HE       ARG 149  28.412  -2.131  -2.131
 1106   1HH1  ARG 149          HH11      ARG 149  25.266  -2.014  -2.014
 1107   2HH1  ARG 149          HH12      ARG 149  25.693  -0.753  -0.753
 1108   1HH2  ARG 149          HH21      ARG 149  28.986  -0.467  -0.467
 1109   2HH2  ARG 149          HH22      ARG 149  27.807   0.128   0.128
 1110    H    GLN 150           HN       GLN 150  21.443  -3.331  -3.331
 1111    HA   GLN 150           HA       GLN 150  22.385  -4.577  -4.577
 1112   1HB   GLN 150           HB1      GLN 150  20.201  -4.876  -4.876
 1113   2HB   GLN 150           HB2      GLN 150  19.492  -4.497  -4.497
 1114   1HG   GLN 150           HG2      GLN 150  20.176  -6.432  -6.432
 1115   2HG   GLN 150           HG1      GLN 150  21.617  -6.552  -6.552
 1116   1HE2  GLN 150          HE22      GLN 150  20.081  -9.068  -9.068
 1117   2HE2  GLN 150          HE21      GLN 150  21.423  -8.523  -8.523
 1118    H    ARG 151           HN       ARG 151  19.409  -2.658  -2.658
 1119    HA   ARG 151           HA       ARG 151  19.771  -1.711  -1.711
 1120   1HB   ARG 151           HB2      ARG 151  17.732  -1.252  -1.252
 1121   2HB   ARG 151           HB1      ARG 151  17.759  -0.208  -0.208
 1122   1HG   ARG 151           HG2      ARG 151  16.975  -1.819  -1.819
 1123   2HG   ARG 151           HG1      ARG 151  17.790  -3.118  -3.118
 1124   1HD   ARG 151           HD2      ARG 151  16.021  -3.501  -3.501
 1125   2HD   ARG 151           HD1      ARG 151  15.694  -1.782  -1.782
 1126    HE   ARG 151           HE       ARG 151  14.204  -1.864  -1.864
 1127   1HH1  ARG 151          HH11      ARG 151  16.052  -4.814  -4.814
 1128   2HH1  ARG 151          HH12      ARG 151  15.050  -5.637  -5.637
 1129   1HH2  ARG 151          HH21      ARG 151  12.879  -2.939  -2.939
 1130   2HH2  ARG 151          HH22      ARG 151  13.246  -4.571  -4.571
 1131    H    GLY 152           HN       GLY 152  21.906  -0.794  -0.794
 1132   1HA   GLY 152           HA1      GLY 152  22.403   1.296   1.296
 1133   2HA   GLY 152           HA2      GLY 152  23.332   0.955   0.955
 1134    H    ALA 153           HN       ALA 153  20.058   2.188   2.188
 1135    HA   ALA 153           HA       ALA 153  19.985   3.906   3.906
 1136   1HB   ALA 153           HB3      ALA 153  18.343   3.419   3.419
 1137   2HB   ALA 153           HB2      ALA 153  18.338   5.112   5.112
 1138   3HB   ALA 153           HB1      ALA 153  17.869   3.859   3.859
 1139    H    GLN 154           HN       GLN 154  21.631   4.127   4.127
 1140    HA   GLN 154           HA       GLN 154  23.418   5.599   5.599
 1141   1HB   GLN 154           HB2      GLN 154  23.043   6.684   6.684
 1142   2HB   GLN 154           HB1      GLN 154  21.820   7.700   7.700
 1143   1HG   GLN 154           HG1      GLN 154  24.037   8.781   8.781
 1144   2HG   GLN 154           HG2      GLN 154  23.428   8.753   8.753
 1145   1HE2  GLN 154          HE21      GLN 154  24.746   5.949   5.949
 1146   2HE2  GLN 154          HE22      GLN 154  26.186   5.840   5.840
 1147    H    ASN 155           HN       ASN 155  20.800   7.973   7.973
 1148    HA   ASN 155           HA       ASN 155  21.298   8.906   8.906
 1149   1HB   ASN 155           HB1      ASN 155  19.546   9.535   9.535
 1150   2HB   ASN 155           HB2      ASN 155  18.483   9.119   9.119
 1151   1HD2  ASN 155          HD22      ASN 155  19.433  11.847  11.847
 1152   2HD2  ASN 155          HD21      ASN 155  18.837  10.227  10.227
 1153    H    LEU 156           HN       LEU 156  18.957   6.413   6.413
 1154    HA   LEU 156           HA       LEU 156  17.593   6.115   6.115
 1155   1HB   LEU 156           HB2      LEU 156  17.053   3.872   3.872
 1156   2HB   LEU 156           HB1      LEU 156  17.018   4.954   4.954
 1157    HG   LEU 156           HG       LEU 156  19.281   3.080   3.080
 1158   1HD1  LEU 156          HD12      LEU 156  16.872   2.816   2.816
 1159   2HD1  LEU 156          HD11      LEU 156  18.384   2.090   2.090
 1160   3HD1  LEU 156          HD13      LEU 156  17.680   1.614   1.614
 1161   1HD2  LEU 156          HD21      LEU 156  18.806   5.023   5.023
 1162   2HD2  LEU 156          HD23      LEU 156  20.214   4.870   4.870
 1163   3HD2  LEU 156          HD22      LEU 156  19.894   3.648   3.648
 1164    H    MET 157           HN       MET 157  20.543   4.296   4.296
 1165    HA   MET 157           HA       MET 157  20.770   2.900   2.900
 1166   1HB   MET 157           HB2      MET 157  22.762   2.125   2.125
 1167   2HB   MET 157           HB1      MET 157  22.015   2.675   2.675
 1168   1HG   MET 157           HG2      MET 157  23.321   4.652   4.652
 1169   2HG   MET 157           HG1      MET 157  23.911   4.358   4.358
 1170   1HE   MET 157           HE3      MET 157  24.953   2.274   2.274
 1171   2HE   MET 157           HE2      MET 157  25.015   0.909   0.909
 1172   3HE   MET 157           HE1      MET 157  26.476   1.838   1.838
 1173    H    ASP 158           HN       ASP 158  21.899   6.090   6.090
 1174    HA   ASP 158           HA       ASP 158  23.478   6.491   6.491
 1175   1HB   ASP 158           HB1      ASP 158  22.385   8.804   8.804
 1176   2HB   ASP 158           HB2      ASP 158  23.508   7.719   7.719
 1177    H    ILE 159           HN       ILE 159  20.144   6.853   6.853
 1178    HA   ILE 159           HA       ILE 159  19.453   8.676   8.676
 1179    HB   ILE 159           HB       ILE 159  17.813   6.767   6.767
 1180   1HG1  ILE 159          HG12      ILE 159  17.602   9.739   9.739
 1181   2HG1  ILE 159          HG11      ILE 159  19.015   8.973   8.973
 1182   1HG2  ILE 159          HG23      ILE 159  17.115   8.168   8.168
 1183   2HG2  ILE 159          HG22      ILE 159  16.141   8.731   8.731
 1184   3HG2  ILE 159          HG21      ILE 159  16.173   7.017   7.017
 1185   1HD1  ILE 159          HD11      ILE 159  16.703   7.542   7.542
 1186   2HD1  ILE 159          HD13      ILE 159  16.435   9.264   9.264
 1187   3HD1  ILE 159          HD12      ILE 159  17.842   8.467   8.467
 1188    H    LEU 160           HN       LEU 160  19.368   5.152   5.152
 1189    HA   LEU 160           HA       LEU 160  18.137   4.695   4.695
 1190   1HB   LEU 160           HB1      LEU 160  19.743   2.543   2.543
 1191   2HB   LEU 160           HB2      LEU 160  18.119   2.502   2.502
 1192    HG   LEU 160           HG       LEU 160  19.004   3.357   3.357
 1193   1HD1  LEU 160          HD11      LEU 160  17.921   1.009   1.009
 1194   2HD1  LEU 160          HD13      LEU 160  16.611   1.783   1.783
 1195   3HD1  LEU 160          HD12      LEU 160  18.134   1.421   1.421
 1196   1HD2  LEU 160          HD21      LEU 160  16.675   4.299   4.299
 1197   2HD2  LEU 160          HD23      LEU 160  17.568   5.080   5.080
 1198   3HD2  LEU 160          HD22      LEU 160  16.382   3.826   3.826
 1199    H    GLN 161           HN       GLN 161  21.469   4.176   4.176
 1200    HA   GLN 161           HA       GLN 161  22.599   3.292   3.292
 1201   1HB   GLN 161           HB2      GLN 161  24.678   3.782   3.782
 1202   2HB   GLN 161           HB1      GLN 161  23.628   3.507   3.507
 1203   1HG   GLN 161           HG1      GLN 161  24.034   5.525   5.525
 1204   2HG   GLN 161           HG2      GLN 161  23.598   6.282   6.282
 1205   1HE2  GLN 161          HE22      GLN 161  26.906   7.426   7.426
 1206   2HE2  GLN 161          HE21      GLN 161  25.249   7.818   7.818
 1207    H    GLY 162           HN       GLY 162  21.537   6.474   6.474
 1208   1HA   GLY 162           HA2      GLY 162  23.068   7.886   7.886
 1209   2HA   GLY 162           HA1      GLY 162  21.672   8.502   8.502
 1210    H    HIS 163           HN       HIS 163  19.613   7.009   7.009
 1211    HA   HIS 163           HA       HIS 163  19.130   7.801   7.801
 1212   1HB   HIS 163           HB1      HIS 163  17.475   6.133   6.133
 1213   2HB   HIS 163           HB2      HIS 163  16.914   6.717   6.717
 1214    HD2  HIS 163           HD2      HIS 163  14.988   7.963   7.963
 1215    HE1  HIS 163           HE1      HIS 163  17.686  11.143  11.143
 1216    HE2  HIS 163           HE2      HIS 163  15.256  10.424  10.424
 1217    H    MET 164           HN       MET 164  19.388   4.648   4.648
 1218    HA   MET 164           HA       MET 164  18.872   2.872   2.872
 1219   1HB   MET 164           HB2      MET 164  19.940   2.570   2.570
 1220   2HB   MET 164           HB1      MET 164  21.448   2.508   2.508
 1221   1HG   MET 164           HG2      MET 164  19.488   0.801   0.801
 1222   2HG   MET 164           HG1      MET 164  19.663   0.419   0.419
 1223   1HE   MET 164           HE3      MET 164  21.884   0.585   0.585
 1224   2HE   MET 164           HE2      MET 164  23.443   0.197   0.197
 1225   3HE   MET 164           HE1      MET 164  22.333  -1.098  -1.098
 1226    H    MET 165           HN       MET 165  22.199   4.086   4.086
 1227    HA   MET 165           HA       MET 165  23.921   4.364   4.364
 1228   1HB   MET 165           HB2      MET 165  21.626   5.549   5.549
 1229   2HB   MET 165           HB1      MET 165  22.512   4.738   4.738
 1230   1HG   MET 165           HG2      MET 165  24.569   5.937   5.937
 1231   2HG   MET 165           HG1      MET 165  23.495   6.892   6.892
 1232   1HE   MET 165           HE1      MET 165  21.310   7.726   7.726
 1233   2HE   MET 165           HE3      MET 165  21.116   8.491   8.491
 1234   3HE   MET 165           HE2      MET 165  22.106   9.263   9.263
 1235    H    ILE 166           HN       ILE 166  24.222   3.746   3.746
 1236    HA   ILE 166           HA       ILE 166  23.570   0.892   0.892
 1237    HB   ILE 166           HB       ILE 166  26.310   1.827   1.827
 1238   1HG1  ILE 166          HG11      ILE 166  25.870   2.426   2.426
 1239   2HG1  ILE 166          HG12      ILE 166  27.180   1.275   1.275
 1240   1HG2  ILE 166          HG22      ILE 166  24.973  -0.789  -0.789
 1241   2HG2  ILE 166          HG21      ILE 166  26.727  -0.637  -0.637
 1242   3HG2  ILE 166          HG23      ILE 166  25.894  -0.288  -0.288
 1243   1HD1  ILE 166          HD11      ILE 166  24.889  -0.277  -0.277
 1244   2HD1  ILE 166          HD13      ILE 166  24.774   1.010   1.010
 1245   3HD1  ILE 166          HD12      ILE 166  26.200  -0.027  -0.027
 1246    HA   PRO 167           HA       PRO 167  22.490   2.594   2.594
 1247   1HB   PRO 167           HB1      PRO 167  21.114   0.399   0.399
 1248   2HB   PRO 167           HB2      PRO 167  20.425   1.619   1.619
 1249   1HG   PRO 167           HG2      PRO 167  21.615  -1.047  -1.047
 1250   2HG   PRO 167           HG1      PRO 167  20.156  -0.278  -0.278
 1251   1HD   PRO 167           HD1      PRO 167  22.516  -0.296  -0.296
 1252   2HD   PRO 167           HD2      PRO 167  21.352   1.036   1.036
 1253    H    MET 168           HN       MET 168  22.549   1.502   1.502
 1254    HA   MET 168           HA       MET 168  24.005  -0.659  -0.659
 1255   1HB   MET 168           HB1      MET 168  26.300   0.353   0.353
 1256   2HB   MET 168           HB2      MET 168  25.922  -0.047  -0.047
 1257   1HG   MET 168           HG2      MET 168  25.184   2.417   2.417
 1258   2HG   MET 168           HG1      MET 168  26.114   2.637   2.637
 1259   1HE   MET 168           HE3      MET 168  28.017   3.875   3.875
 1260   2HE   MET 168           HE2      MET 168  29.154   3.865   3.865
 1261   3HE   MET 168           HE1      MET 168  27.535   4.530   4.530

  Start of MODEL   13
    1   1H    GLY   1           HT2      GLY   1 -29.350 -18.572 -18.572
    2   2H    GLY   1           HT1      GLY   1 -30.549 -18.563 -18.563
    3   3H    GLY   1           HT3      GLY   1 -29.034 -17.880 -17.880
    4   1HA   GLY   1           HA1      GLY   1 -29.668 -15.923 -15.923
    5   2HA   GLY   1           HA2      GLY   1 -31.284 -16.589 -16.589
    6    H    SER   2           HN       SER   2 -31.431 -15.059 -15.059
    7    HA   SER   2           HA       SER   2 -31.575 -14.643 -14.643
    8   1HB   SER   2           HB1      SER   2 -30.605 -17.503 -17.503
    9   2HB   SER   2           HB2      SER   2 -31.054 -16.553 -16.553
   10    HG   SER   2           HG       SER   2 -33.014 -17.144 -17.144
   11    H    MET   3           HN       MET   3 -28.768 -16.795 -16.795
   12    HA   MET   3           HA       MET   3 -26.714 -16.440 -16.440
   13   1HB   MET   3           HB1      MET   3 -26.985 -15.000 -15.000
   14   2HB   MET   3           HB2      MET   3 -26.163 -13.911 -13.911
   15   1HG   MET   3           HG1      MET   3 -25.286 -16.717 -16.717
   16   2HG   MET   3           HG2      MET   3 -24.613 -15.250 -15.250
   17   1HE   MET   3           HE2      MET   3 -24.043 -17.873 -17.873
   18   2HE   MET   3           HE1      MET   3 -22.377 -17.333 -17.333
   19   3HE   MET   3           HE3      MET   3 -23.428 -17.522 -17.522
   20    H    LEU   4           HN       LEU   4 -27.944 -15.942 -15.942
   21    HA   LEU   4           HA       LEU   4 -27.715 -13.132 -13.132
   22   1HB   LEU   4           HB2      LEU   4 -29.240 -15.481 -15.481
   23   2HB   LEU   4           HB1      LEU   4 -28.915 -14.106 -14.106
   24    HG   LEU   4           HG       LEU   4 -30.150 -13.582 -13.582
   25   1HD1  LEU   4          HD13      LEU   4 -31.457 -15.018 -15.018
   26   2HD1  LEU   4          HD12      LEU   4 -32.390 -13.874 -13.874
   27   3HD1  LEU   4          HD11      LEU   4 -31.631 -15.263 -15.263
   28   1HD2  LEU   4          HD22      LEU   4 -30.157 -12.361 -12.361
   29   2HD2  LEU   4          HD21      LEU   4 -29.744 -11.631 -11.631
   30   3HD2  LEU   4          HD23      LEU   4 -31.429 -11.975 -11.975
   31    H    LEU   5           HN       LEU   5 -25.827 -12.590 -12.590
   32    HA   LEU   5           HA       LEU   5 -24.813 -13.956 -13.956
   33   1HB   LEU   5           HB2      LEU   5 -23.987 -15.257 -15.257
   34   2HB   LEU   5           HB1      LEU   5 -22.923 -13.886 -13.886
   35    HG   LEU   5           HG       LEU   5 -22.191 -14.331 -14.331
   36   1HD1  LEU   5          HD21      LEU   5 -24.047 -16.445 -16.445
   37   2HD1  LEU   5          HD23      LEU   5 -22.435 -17.140 -17.140
   38   3HD1  LEU   5          HD22      LEU   5 -23.077 -16.087 -16.087
   39   1HD2  LEU   5          HD11      LEU   5 -21.223 -15.080 -15.080
   40   2HD2  LEU   5          HD13      LEU   5 -20.323 -15.012 -15.012
   41   3HD2  LEU   5          HD12      LEU   5 -21.076 -16.522 -16.522
   42    H    GLU   6           HN       GLU   6 -25.681 -11.415 -11.415
   43    HA   GLU   6           HA       GLU   6 -23.242  -9.774  -9.774
   44   1HB   GLU   6           HB1      GLU   6 -26.103  -9.227  -9.227
   45   2HB   GLU   6           HB2      GLU   6 -25.158  -7.915  -7.915
   46   1HG   GLU   6           HG1      GLU   6 -25.262  -8.811  -8.811
   47   2HG   GLU   6           HG2      GLU   6 -24.363  -7.456  -7.456
   48    H    GLU   7           HN       GLU   7 -22.612 -10.478 -10.478
   49    HA   GLU   7           HA       GLU   7 -24.306  -9.630  -9.630
   50   1HB   GLU   7           HB2      GLU   7 -23.105 -11.858 -11.858
   51   2HB   GLU   7           HB1      GLU   7 -21.603 -10.963 -10.963
   52   1HG   GLU   7           HG2      GLU   7 -23.872 -11.210 -11.210
   53   2HG   GLU   7           HG1      GLU   7 -22.182 -11.666 -11.666
   54    H    VAL   8           HN       VAL   8 -22.549  -7.939  -7.939
   55    HA   VAL   8           HA       VAL   8 -21.200  -6.363  -6.363
   56    HB   VAL   8           HB       VAL   8 -19.652  -5.548  -5.548
   57   1HG1  VAL   8          HG22      VAL   8 -19.961  -8.533  -8.533
   58   2HG1  VAL   8          HG21      VAL   8 -18.598  -7.768  -7.768
   59   3HG1  VAL   8          HG23      VAL   8 -18.860  -7.497  -7.497
   60   1HG2  VAL   8          HG13      VAL   8 -21.628  -6.599  -6.599
   61   2HG2  VAL   8          HG12      VAL   8 -20.332  -5.439  -5.439
   62   3HG2  VAL   8          HG11      VAL   8 -20.008  -7.168  -7.168
   63    H    CYS   9           HN       CYS   9 -23.976  -6.122  -6.122
   64    HA   CYS   9           HA       CYS   9 -24.879  -4.344  -4.344
   65   1HB   CYS   9           HB2      CYS   9 -26.239  -3.324  -3.324
   66   2HB   CYS   9           HB1      CYS   9 -26.500  -4.995  -4.995
   67    HG   CYS   9           HG       CYS   9 -24.735  -5.514  -5.514
   68    H    VAL  10           HN       VAL  10 -22.995  -3.480  -3.480
   69    HA   VAL  10           HA       VAL  10 -22.702  -0.760  -0.760
   70    HB   VAL  10           HB       VAL  10 -22.242   0.034   0.034
   71   1HG1  VAL  10          HG22      VAL  10 -24.685  -1.735  -1.735
   72   2HG1  VAL  10          HG21      VAL  10 -24.404  -0.420  -0.420
   73   3HG1  VAL  10          HG23      VAL  10 -24.578  -0.072  -0.072
   74   1HG2  VAL  10          HG12      VAL  10 -21.663  -2.709  -2.709
   75   2HG2  VAL  10          HG11      VAL  10 -21.363  -1.304  -1.304
   76   3HG2  VAL  10          HG13      VAL  10 -22.898  -2.165  -2.165
   77    H    GLY  11           HN       GLY  11 -21.113  -3.672  -3.672
   78   1HA   GLY  11           HA1      GLY  11 -18.549  -2.991  -2.991
   79   2HA   GLY  11           HA2      GLY  11 -18.928  -4.304  -4.304
   80    H    ASP  12           HN       ASP  12 -19.342  -3.603  -3.603
   81    HA   ASP  12           HA       ASP  12 -17.095  -2.466  -2.466
   82   1HB   ASP  12           HB1      ASP  12 -18.574  -3.748  -3.748
   83   2HB   ASP  12           HB2      ASP  12 -18.499  -2.125  -2.125
   84    H    ARG  13           HN       ARG  13 -19.790  -0.887  -0.887
   85    HA   ARG  13           HA       ARG  13 -19.660   1.617   1.617
   86   1HB   ARG  13           HB2      ARG  13 -21.370   0.597   0.597
   87   2HB   ARG  13           HB1      ARG  13 -20.344   1.417   1.417
   88   1HG   ARG  13           HG1      ARG  13 -21.900   3.035   3.035
   89   2HG   ARG  13           HG2      ARG  13 -20.682   3.461   3.461
   90   1HD   ARG  13           HD2      ARG  13 -22.356   1.555   1.555
   91   2HD   ARG  13           HD1      ARG  13 -23.419   2.692   2.692
   92    HE   ARG  13           HE       ARG  13 -21.434   4.072   4.072
   93   1HH1  ARG  13          HH11      ARG  13 -24.390   2.270   2.270
   94   2HH1  ARG  13          HH12      ARG  13 -24.849   3.076   3.076
   95   1HH2  ARG  13          HH21      ARG  13 -22.029   5.140   5.140
   96   2HH2  ARG  13          HH22      ARG  13 -23.507   4.707   4.707
   97    H    LEU  14           HN       LEU  14 -18.440   0.809   0.809
   98    HA   LEU  14           HA       LEU  14 -16.782   3.125   3.125
   99   1HB   LEU  14           HB1      LEU  14 -17.824   1.640   1.640
  100   2HB   LEU  14           HB2      LEU  14 -16.327   0.742   0.742
  101    HG   LEU  14           HG       LEU  14 -16.741   3.554   3.554
  102   1HD1  LEU  14          HD12      LEU  14 -15.346   1.099   1.099
  103   2HD1  LEU  14          HD11      LEU  14 -15.092   2.700   2.700
  104   3HD1  LEU  14          HD13      LEU  14 -16.700   1.975   1.975
  105   1HD2  LEU  14          HD22      LEU  14 -14.307   2.412   2.412
  106   2HD2  LEU  14          HD21      LEU  14 -15.058   3.991   3.991
  107   3HD2  LEU  14          HD23      LEU  14 -14.164   3.641   3.641
  108    H    SER  15           HN       SER  15 -16.155  -0.327  -0.327
  109    HA   SER  15           HA       SER  15 -13.361  -0.173  -0.173
  110   1HB   SER  15           HB2      SER  15 -15.204  -2.200  -2.200
  111   2HB   SER  15           HB1      SER  15 -14.598  -2.168  -2.168
  112    HG   SER  15           HG       SER  15 -13.123  -2.516  -2.516
  113    H    GLY  16           HN       GLY  16 -15.862   0.349   0.349
  114   1HA   GLY  16           HA1      GLY  16 -14.100   0.447   0.447
  115   2HA   GLY  16           HA2      GLY  16 -15.752   1.043   1.043
  116    H    ALA  17           HN       ALA  17 -15.675   3.000   3.000
  117    HA   ALA  17           HA       ALA  17 -14.676   5.196   5.196
  118   1HB   ALA  17           HB2      ALA  17 -16.126   4.748   4.748
  119   2HB   ALA  17           HB1      ALA  17 -14.771   5.793   5.793
  120   3HB   ALA  17           HB3      ALA  17 -15.888   6.271   6.271
  121    H    ALA  18           HN       ALA  18 -13.247   3.397   3.397
  122    HA   ALA  18           HA       ALA  18 -10.944   5.068   5.068
  123   1HB   ALA  18           HB3      ALA  18 -11.803   2.474   2.474
  124   2HB   ALA  18           HB2      ALA  18 -10.098   2.915   2.915
  125   3HB   ALA  18           HB1      ALA  18 -11.317   3.971   3.971
  126    H    ALA  19           HN       ALA  19 -11.475   1.809   1.809
  127    HA   ALA  19           HA       ALA  19  -8.869   1.394   1.394
  128   1HB   ALA  19           HB2      ALA  19 -10.829  -0.265  -0.265
  129   2HB   ALA  19           HB1      ALA  19 -11.269   0.273   0.273
  130   3HB   ALA  19           HB3      ALA  19  -9.698  -0.474  -0.474
  131    H    ARG  20           HN       ARG  20 -11.649   2.972   2.972
  132    HA   ARG  20           HA       ARG  20 -10.484   3.258   3.258
  133   1HB   ARG  20           HB1      ARG  20 -12.800   4.608   4.608
  134   2HB   ARG  20           HB2      ARG  20 -12.310   5.025   5.025
  135   1HG   ARG  20           HG2      ARG  20 -13.095   3.089   3.089
  136   2HG   ARG  20           HG1      ARG  20 -12.765   2.159   2.159
  137   1HD   ARG  20           HD1      ARG  20 -14.912   2.313   2.313
  138   2HD   ARG  20           HD2      ARG  20 -14.717   4.059   4.059
  139    HE   ARG  20           HE       ARG  20 -16.033   4.232   4.232
  140   1HH1  ARG  20          HH21      ARG  20 -14.248   1.251   1.251
  141   2HH1  ARG  20          HH22      ARG  20 -14.946   0.795   0.795
  142   1HH2  ARG  20          HH11      ARG  20 -16.956   3.645   3.645
  143   2HH2  ARG  20          HH12      ARG  20 -16.483   2.158   2.158
  144    H    GLY  21           HN       GLY  21 -10.086   4.913   4.913
  145   1HA   GLY  21           HA1      GLY  21  -8.678   6.640   6.640
  146   2HA   GLY  21           HA2      GLY  21  -8.035   6.576   6.576
  147    H    ASP  22           HN       ASP  22 -11.106   7.491   7.491
  148    HA   ASP  22           HA       ASP  22 -11.025   9.994   9.994
  149   1HB   ASP  22           HB1      ASP  22 -13.718   9.149   9.149
  150   2HB   ASP  22           HB2      ASP  22 -12.898   7.953   7.953
  151    H    VAL  23           HN       VAL  23 -10.223  11.227  11.227
  152    HA   VAL  23           HA       VAL  23 -10.947  11.160  11.160
  153    HB   VAL  23           HB       VAL  23  -9.076  12.505  12.505
  154   1HG1  VAL  23          HG13      VAL  23 -11.274  13.957  13.957
  155   2HG1  VAL  23          HG12      VAL  23  -9.893  14.895  14.895
  156   3HG1  VAL  23          HG11      VAL  23  -9.649  13.567  13.567
  157   1HG2  VAL  23          HG22      VAL  23 -10.273  12.970  12.970
  158   2HG2  VAL  23          HG21      VAL  23  -9.240  14.249  14.249
  159   3HG2  VAL  23          HG23      VAL  23 -10.991  14.358  14.358
  160    H    GLN  24           HN       GLN  24 -12.765  12.232  12.232
  161    HA   GLN  24           HA       GLN  24 -14.524  13.997  13.997
  162   1HB   GLN  24           HB2      GLN  24 -14.140  13.100  13.100
  163   2HB   GLN  24           HB1      GLN  24 -15.843  13.007  13.007
  164   1HG   GLN  24           HG1      GLN  24 -14.928  15.478  15.478
  165   2HG   GLN  24           HG2      GLN  24 -14.260  15.294  15.294
  166   1HE2  GLN  24          HE22      GLN  24 -17.828  16.708  16.708
  167   2HE2  GLN  24          HE21      GLN  24 -16.494  16.936  16.936
  168    H    GLU  25           HN       GLU  25 -14.925  10.702  10.702
  169    HA   GLU  25           HA       GLU  25 -17.471  10.331  10.331
  170   1HB   GLU  25           HB2      GLU  25 -15.583   8.268   8.268
  171   2HB   GLU  25           HB1      GLU  25 -17.284   8.020   8.020
  172   1HG   GLU  25           HG2      GLU  25 -16.125   8.932   8.932
  173   2HG   GLU  25           HG1      GLU  25 -17.833   8.717   8.717
  174    H    VAL  26           HN       VAL  26 -14.169   9.550   9.550
  175    HA   VAL  26           HA       VAL  26 -14.602   7.665   7.665
  176    HB   VAL  26           HB       VAL  26 -12.376   8.662   8.662
  177   1HG1  VAL  26          HG22      VAL  26 -12.800  10.965  10.965
  178   2HG1  VAL  26          HG21      VAL  26 -12.855  10.453  10.453
  179   3HG1  VAL  26          HG23      VAL  26 -11.352  10.321  10.321
  180   1HG2  VAL  26          HG12      VAL  26 -13.029   7.043   7.043
  181   2HG2  VAL  26          HG11      VAL  26 -11.392   7.350   7.350
  182   3HG2  VAL  26          HG13      VAL  26 -12.037   8.278   8.278
  183    H    ARG  27           HN       ARG  27 -14.565  11.208  11.208
  184    HA   ARG  27           HA       ARG  27 -15.314  11.091  11.091
  185   1HB   ARG  27           HB1      ARG  27 -15.841  13.604  13.604
  186   2HB   ARG  27           HB2      ARG  27 -14.175  13.042  13.042
  187   1HG   ARG  27           HG1      ARG  27 -13.889  13.598  13.598
  188   2HG   ARG  27           HG2      ARG  27 -15.399  12.829  12.829
  189   1HD   ARG  27           HD1      ARG  27 -16.125  15.126  15.126
  190   2HD   ARG  27           HD2      ARG  27 -14.809  15.614  15.614
  191    HE   ARG  27           HE       ARG  27 -16.950  14.075  14.075
  192   1HH1  ARG  27          HH11      ARG  27 -15.588  17.216  17.216
  193   2HH1  ARG  27          HH12      ARG  27 -16.448  17.995  17.995
  194   1HH2  ARG  27          HH21      ARG  27 -18.083  15.093  15.093
  195   2HH2  ARG  27          HH22      ARG  27 -17.866  16.789  16.789
  196    H    ARG  28           HN       ARG  28 -17.065  11.994  11.994
  197    HA   ARG  28           HA       ARG  28 -19.531  12.548  12.548
  198   1HB   ARG  28           HB2      ARG  28 -19.162  13.144  13.144
  199   2HB   ARG  28           HB1      ARG  28 -18.817  11.480  11.480
  200   1HG   ARG  28           HG2      ARG  28 -21.193  10.932  10.932
  201   2HG   ARG  28           HG1      ARG  28 -21.473  12.667  12.667
  202   1HD   ARG  28           HD1      ARG  28 -21.522  12.973  12.973
  203   2HD   ARG  28           HD2      ARG  28 -20.135  11.919  11.919
  204    HE   ARG  28           HE       ARG  28 -22.381  10.357  10.357
  205   1HH1  ARG  28          HH21      ARG  28 -21.128  12.341  12.341
  206   2HH1  ARG  28          HH22      ARG  28 -21.966  11.479  11.479
  207   1HH2  ARG  28          HH11      ARG  28 -23.490   9.217   9.217
  208   2HH2  ARG  28          HH12      ARG  28 -23.308   9.702   9.702
  209    H    LEU  29           HN       LEU  29 -17.981   9.513   9.513
  210    HA   LEU  29           HA       LEU  29 -20.298   7.876   7.876
  211   1HB   LEU  29           HB1      LEU  29 -17.362   7.400   7.400
  212   2HB   LEU  29           HB2      LEU  29 -18.492   6.120   6.120
  213    HG   LEU  29           HG       LEU  29 -17.402   6.708   6.708
  214   1HD1  LEU  29          HD23      LEU  29 -19.635   4.935   4.935
  215   2HD1  LEU  29          HD22      LEU  29 -19.070   4.932   4.932
  216   3HD1  LEU  29          HD21      LEU  29 -17.964   4.506   4.506
  217   1HD2  LEU  29          HD12      LEU  29 -19.298   8.495   8.495
  218   2HD2  LEU  29          HD11      LEU  29 -19.044   7.493   7.493
  219   3HD2  LEU  29          HD13      LEU  29 -20.346   7.108   7.108
  220    H    LEU  30           HN       LEU  30 -17.695   7.996   7.996
  221    HA   LEU  30           HA       LEU  30 -19.416   7.007   7.007
  222   1HB   LEU  30           HB1      LEU  30 -16.739   8.309   8.309
  223   2HB   LEU  30           HB2      LEU  30 -17.529   7.110   7.110
  224    HG   LEU  30           HG       LEU  30 -16.818   6.374   6.374
  225   1HD1  LEU  30          HD13      LEU  30 -14.869   6.526   6.526
  226   2HD1  LEU  30          HD12      LEU  30 -14.585   5.653   5.653
  227   3HD1  LEU  30          HD11      LEU  30 -14.785   7.406   7.406
  228   1HD2  LEU  30          HD22      LEU  30 -17.441   5.038   5.038
  229   2HD2  LEU  30          HD21      LEU  30 -17.823   4.565   4.565
  230   3HD2  LEU  30          HD23      LEU  30 -16.212   4.270   4.270
  231    H    HIS  31           HN       HIS  31 -18.091  10.178  10.178
  232    HA   HIS  31           HA       HIS  31 -19.118  11.476  11.476
  233   1HB   HIS  31           HB2      HIS  31 -18.436  12.876  12.876
  234   2HB   HIS  31           HB1      HIS  31 -18.305  13.483  13.483
  235    HD2  HIS  31           HD2      HIS  31 -15.611  13.898  13.898
  236    HE1  HIS  31           HE1      HIS  31 -14.456  10.070  10.070
  237    HE2  HIS  31           HE2      HIS  31 -13.631  12.341  12.341
  238    H    ARG  32           HN       ARG  32 -20.724  10.152  10.152
  239    HA   ARG  32           HA       ARG  32 -23.059  11.826  11.826
  240   1HB   ARG  32           HB2      ARG  32 -21.567  12.211  12.211
  241   2HB   ARG  32           HB1      ARG  32 -22.833  11.114  11.114
  242   1HG   ARG  32           HG1      ARG  32 -23.574  13.338  13.338
  243   2HG   ARG  32           HG2      ARG  32 -24.508  12.690  12.690
  244   1HD   ARG  32           HD1      ARG  32 -22.136  13.947  13.947
  245   2HD   ARG  32           HD2      ARG  32 -22.987  15.059  15.059
  246    HE   ARG  32           HE       ARG  32 -24.877  13.943  13.943
  247   1HH1  ARG  32          HH21      ARG  32 -22.060  15.977  15.977
  248   2HH1  ARG  32          HH22      ARG  32 -22.617  16.828  16.828
  249   1HH2  ARG  32          HH11      ARG  32 -25.623  15.055  15.055
  250   2HH2  ARG  32          HH12      ARG  32 -24.642  16.302  16.302
  251    H    GLU  33           HN       GLU  33 -22.212   9.261   9.261
  252    HA   GLU  33           HA       GLU  33 -24.638   7.876   7.876
  253   1HB   GLU  33           HB1      GLU  33 -23.178   7.592   7.592
  254   2HB   GLU  33           HB2      GLU  33 -21.948   6.852   6.852
  255   1HG   GLU  33           HG1      GLU  33 -24.316   5.399   5.399
  256   2HG   GLU  33           HG2      GLU  33 -24.174   5.644   5.644
  257    H    LEU  34           HN       LEU  34 -21.955   8.072   8.072
  258    HA   LEU  34           HA       LEU  34 -21.255   6.905   6.905
  259   1HB   LEU  34           HB1      LEU  34 -23.832   7.668   7.668
  260   2HB   LEU  34           HB2      LEU  34 -23.979   5.940   5.940
  261    HG   LEU  34           HG       LEU  34 -21.863   6.453   6.453
  262   1HD1  LEU  34          HD23      LEU  34 -23.343   9.003   9.003
  263   2HD1  LEU  34          HD22      LEU  34 -22.792   8.570   8.570
  264   3HD1  LEU  34          HD21      LEU  34 -21.628   8.720   8.720
  265   1HD2  LEU  34          HD12      LEU  34 -24.655   5.932   5.932
  266   2HD2  LEU  34          HD11      LEU  34 -23.316   5.473   5.473
  267   3HD2  LEU  34          HD13      LEU  34 -24.121   7.026   7.026
  268    H    VAL  35           HN       VAL  35 -20.208   5.315   5.315
  269    HA   VAL  35           HA       VAL  35 -21.581   2.727   2.727
  270    HB   VAL  35           HB       VAL  35 -18.912   3.385   3.385
  271   1HG1  VAL  35          HG23      VAL  35 -20.884   1.167   1.167
  272   2HG1  VAL  35          HG22      VAL  35 -19.949   1.588   1.588
  273   3HG1  VAL  35          HG21      VAL  35 -19.122   1.113   1.113
  274   1HG2  VAL  35          HG11      VAL  35 -20.962   4.885   4.885
  275   2HG2  VAL  35          HG13      VAL  35 -19.876   4.252   4.252
  276   3HG2  VAL  35          HG12      VAL  35 -21.427   3.467   3.467
  277    H    HIS  36           HN       HIS  36 -20.355   0.781   0.781
  278    HA   HIS  36           HA       HIS  36 -18.903   1.168   1.168
  279   1HB   HIS  36           HB1      HIS  36 -20.727  -0.719  -0.719
  280   2HB   HIS  36           HB2      HIS  36 -19.198  -1.586  -1.586
  281    HD2  HIS  36           HD2      HIS  36 -20.643   0.783   0.783
  282    HE1  HIS  36           HE1      HIS  36 -19.195  -2.823  -2.823
  283    HE2  HIS  36           HE2      HIS  36 -20.417  -0.651  -0.651
  284    HA   PRO  37           HA       PRO  37 -14.813   0.794   0.794
  285   1HB   PRO  37           HB1      PRO  37 -13.762  -0.754  -0.754
  286   2HB   PRO  37           HB2      PRO  37 -13.876   1.008   1.008
  287   1HG   PRO  37           HG1      PRO  37 -15.684  -1.007  -1.007
  288   2HG   PRO  37           HG2      PRO  37 -15.166   0.576   0.576
  289   1HD   PRO  37           HD1      PRO  37 -17.605   0.228   0.228
  290   2HD   PRO  37           HD2      PRO  37 -16.692   1.724   1.724
  291    H    ASP  38           HN       ASP  38 -16.323  -2.140  -2.140
  292    HA   ASP  38           HA       ASP  38 -14.634  -3.915  -3.915
  293   1HB   ASP  38           HB1      ASP  38 -15.460  -4.910  -4.910
  294   2HB   ASP  38           HB2      ASP  38 -16.516  -5.587  -5.587
  295    H    ALA  39           HN       ALA  39 -15.288  -2.394  -2.394
  296    HA   ALA  39           HA       ALA  39 -17.607  -3.579  -3.579
  297   1HB   ALA  39           HB2      ALA  39 -16.638  -0.893  -0.893
  298   2HB   ALA  39           HB1      ALA  39 -16.641  -1.394  -1.394
  299   3HB   ALA  39           HB3      ALA  39 -18.124  -1.486  -1.486
  300    H    LEU  40           HN       LEU  40 -17.213  -5.028  -5.028
  301    HA   LEU  40           HA       LEU  40 -14.639  -4.917  -4.917
  302   1HB   LEU  40           HB2      LEU  40 -16.119  -7.484  -7.484
  303   2HB   LEU  40           HB1      LEU  40 -14.423  -7.237  -7.237
  304    HG   LEU  40           HG       LEU  40 -14.151  -6.279  -6.279
  305   1HD1  LEU  40          HD23      LEU  40 -17.032  -6.783  -6.783
  306   2HD1  LEU  40          HD22      LEU  40 -16.187  -7.397  -7.397
  307   3HD1  LEU  40          HD21      LEU  40 -16.068  -5.690  -5.690
  308   1HD2  LEU  40          HD11      LEU  40 -14.668  -9.061  -9.061
  309   2HD2  LEU  40          HD13      LEU  40 -13.308  -8.349  -8.349
  310   3HD2  LEU  40          HD12      LEU  40 -14.799  -8.734  -8.734
  311    H    ASN  41           HN       ASN  41 -14.760  -6.231  -6.231
  312    HA   ASN  41           HA       ASN  41 -17.366  -5.773  -5.773
  313   1HB   ASN  41           HB2      ASN  41 -16.226  -5.064  -5.064
  314   2HB   ASN  41           HB1      ASN  41 -15.687  -4.071  -4.071
  315   1HD2  ASN  41          HD22      ASN  41 -12.357  -4.886  -4.886
  316   2HD2  ASN  41          HD21      ASN  41 -13.584  -3.930  -3.930
  317    H    ARG  42           HN       ARG  42 -16.919  -6.855  -6.855
  318    HA   ARG  42           HA       ARG  42 -17.461  -9.481  -9.481
  319   1HB   ARG  42           HB2      ARG  42 -16.040  -7.898  -7.898
  320   2HB   ARG  42           HB1      ARG  42 -16.087  -9.647  -9.647
  321   1HG   ARG  42           HG2      ARG  42 -18.077  -9.436  -9.436
  322   2HG   ARG  42           HG1      ARG  42 -18.705  -8.891  -8.891
  323   1HD   ARG  42           HD1      ARG  42 -19.193  -6.964  -6.964
  324   2HD   ARG  42           HD2      ARG  42 -17.459  -6.650  -6.650
  325    HE   ARG  42           HE       ARG  42 -17.541  -6.911  -6.911
  326   1HH1  ARG  42          HH21      ARG  42 -20.282  -8.543  -8.543
  327   2HH1  ARG  42          HH22      ARG  42 -20.973  -8.967  -8.967
  328   1HH2  ARG  42          HH11      ARG  42 -18.441  -7.466  -7.466
  329   2HH2  ARG  42          HH12      ARG  42 -19.927  -8.355  -8.355
  330    H    PHE  43           HN       PHE  43 -14.307  -8.031  -8.031
  331    HA   PHE  43           HA       PHE  43 -12.787 -10.419 -10.419
  332   1HB   PHE  43           HB1      PHE  43 -12.284  -7.643  -7.643
  333   2HB   PHE  43           HB2      PHE  43 -11.462  -8.560  -8.560
  334    HD1  PHE  43           HD1      PHE  43  -9.729 -10.194 -10.194
  335    HD2  PHE  43           HD2      PHE  43 -11.583  -7.753  -7.753
  336    HE1  PHE  43           HE1      PHE  43  -7.911 -10.732 -10.732
  337    HE2  PHE  43           HE2      PHE  43  -9.769  -8.287  -8.287
  338    HZ   PHE  43           HZ       PHE  43  -7.924  -9.770  -9.770
  339    H    GLY  44           HN       GLY  44 -13.886  -8.521  -8.521
  340   1HA   GLY  44           HA1      GLY  44 -14.832  -9.661  -9.661
  341   2HA   GLY  44           HA2      GLY  44 -13.747 -11.003 -11.003
  342    H    LYS  45           HN       LYS  45 -12.408  -7.869  -7.869
  343    HA   LYS  45           HA       LYS  45 -10.893  -8.287  -8.287
  344   1HB   LYS  45           HB1      LYS  45 -10.300  -6.589  -6.589
  345   2HB   LYS  45           HB2      LYS  45  -9.292  -6.642  -6.642
  346   1HG   LYS  45           HG2      LYS  45  -8.502  -8.738  -8.738
  347   2HG   LYS  45           HG1      LYS  45  -9.937  -9.198  -9.198
  348   1HD   LYS  45           HD2      LYS  45  -9.162  -8.285  -8.285
  349   2HD   LYS  45           HD1      LYS  45  -8.283  -7.001  -7.001
  350   1HE   LYS  45           HE2      LYS  45  -6.853  -8.717  -8.717
  351   2HE   LYS  45           HE1      LYS  45  -6.496  -8.456  -8.456
  352   1HZ   LYS  45           HZ2      LYS  45  -8.237 -10.649 -10.649
  353   2HZ   LYS  45           HZ1      LYS  45  -6.575 -10.830 -10.830
  354   3HZ   LYS  45           HZ3      LYS  45  -7.598 -10.453 -10.453
  355    H    THR  46           HN       THR  46 -10.194  -6.225  -6.225
  356    HA   THR  46           HA       THR  46 -12.568  -4.661  -4.661
  357    HB   THR  46           HB       THR  46 -11.089  -3.642  -3.642
  358    HG1  THR  46           HG1      THR  46  -9.309  -5.721  -5.721
  359   1HG2  THR  46          HG21      THR  46 -12.516  -5.834  -5.834
  360   2HG2  THR  46          HG23      THR  46 -10.928  -6.584  -6.584
  361   3HG2  THR  46          HG22      THR  46 -11.425  -5.331  -5.331
  362    H    ALA  47           HN       ALA  47 -12.410  -2.283  -2.283
  363    HA   ALA  47           HA       ALA  47 -11.729  -1.038  -1.038
  364   1HB   ALA  47           HB3      ALA  47 -13.315  -0.122  -0.122
  365   2HB   ALA  47           HB2      ALA  47 -11.964   0.269   0.269
  366   3HB   ALA  47           HB1      ALA  47 -12.112   1.066   1.066
  367    H    LEU  48           HN       LEU  48  -9.908  -1.192  -1.192
  368    HA   LEU  48           HA       LEU  48  -7.776   0.464   0.464
  369   1HB   LEU  48           HB1      LEU  48  -8.504  -0.717  -0.717
  370   2HB   LEU  48           HB2      LEU  48  -7.163  -1.746  -1.746
  371    HG   LEU  48           HG       LEU  48  -5.732   0.295   0.295
  372   1HD1  LEU  48          HD22      LEU  48  -7.893   1.754   1.754
  373   2HD1  LEU  48          HD21      LEU  48  -7.795   1.788   1.788
  374   3HD1  LEU  48          HD23      LEU  48  -6.453   2.396   2.396
  375   1HD2  LEU  48          HD11      LEU  48  -6.382  -1.182  -1.182
  376   2HD2  LEU  48          HD13      LEU  48  -5.114   0.042   0.042
  377   3HD2  LEU  48          HD12      LEU  48  -6.714   0.453   0.453
  378    H    GLN  49           HN       GLN  49  -8.061  -3.086  -3.086
  379    HA   GLN  49           HA       GLN  49  -5.564  -3.718  -3.718
  380   1HB   GLN  49           HB2      GLN  49  -7.115  -5.387  -5.387
  381   2HB   GLN  49           HB1      GLN  49  -8.185  -5.146  -5.146
  382   1HG   GLN  49           HG1      GLN  49  -6.923  -6.397  -6.397
  383   2HG   GLN  49           HG2      GLN  49  -5.408  -5.861  -5.861
  384   1HE2  GLN  49          HE22      GLN  49  -5.080  -9.040  -9.040
  385   2HE2  GLN  49          HE21      GLN  49  -4.467  -7.814  -7.814
  386    H    VAL  50           HN       VAL  50  -8.537  -3.853  -3.853
  387    HA   VAL  50           HA       VAL  50  -7.272  -3.880  -3.880
  388    HB   VAL  50           HB       VAL  50  -9.625  -4.471  -4.471
  389   1HG1  VAL  50          HG22      VAL  50  -9.868  -2.297  -2.297
  390   2HG1  VAL  50          HG21      VAL  50 -10.535  -1.664  -1.664
  391   3HG1  VAL  50          HG23      VAL  50 -11.239  -3.102  -3.102
  392   1HG2  VAL  50          HG13      VAL  50  -8.520  -2.921  -2.921
  393   2HG2  VAL  50          HG12      VAL  50  -9.870  -4.051  -4.051
  394   3HG2  VAL  50          HG11      VAL  50 -10.169  -2.345  -2.345
  395    H    MET  51           HN       MET  51  -7.880  -1.249  -1.249
  396    HA   MET  51           HA       MET  51  -8.090   0.995   0.995
  397   1HB   MET  51           HB1      MET  51  -7.386   0.537   0.537
  398   2HB   MET  51           HB2      MET  51  -5.820   1.037   1.037
  399   1HG   MET  51           HG2      MET  51  -7.755   2.871   2.871
  400   2HG   MET  51           HG1      MET  51  -8.024   2.644   2.644
  401   1HE   MET  51           HE2      MET  51  -5.554   1.749   1.749
  402   2HE   MET  51           HE1      MET  51  -4.037   2.393   2.393
  403   3HE   MET  51           HE3      MET  51  -4.862   3.212   3.212
  404    H    MET  52           HN       MET  52  -7.024   2.103   2.103
  405    HA   MET  52           HA       MET  52  -4.563   0.937   0.937
  406   1HB   MET  52           HB1      MET  52  -5.024   2.033   2.033
  407   2HB   MET  52           HB2      MET  52  -6.611   1.559   1.559
  408   1HG   MET  52           HG2      MET  52  -7.001   3.806   3.806
  409   2HG   MET  52           HG1      MET  52  -5.388   4.293   4.293
  410   1HE   MET  52           HE1      MET  52  -6.394   6.327   6.327
  411   2HE   MET  52           HE3      MET  52  -5.057   5.568   5.568
  412   3HE   MET  52           HE2      MET  52  -6.491   6.092   6.092
  413    H    PHE  53           HN       PHE  53  -4.992   2.843   2.843
  414    HA   PHE  53           HA       PHE  53  -3.996   4.679   4.679
  415   1HB   PHE  53           HB1      PHE  53  -1.608   3.669   3.669
  416   2HB   PHE  53           HB2      PHE  53  -1.581   4.610   4.610
  417    HD1  PHE  53           HD2      PHE  53  -3.188   1.451   1.451
  418    HD2  PHE  53           HD1      PHE  53  -1.023   3.440   3.440
  419    HE1  PHE  53           HE2      PHE  53  -3.162  -0.631  -0.631
  420    HE2  PHE  53           HE1      PHE  53  -0.995   1.360   1.360
  421    HZ   PHE  53           HZ       PHE  53  -2.071  -0.682  -0.682
  422    H    GLY  54           HN       GLY  54  -5.216   5.083   5.083
  423   1HA   GLY  54           HA1      GLY  54  -3.659   6.777   6.777
  424   2HA   GLY  54           HA2      GLY  54  -5.415   6.779   6.779
  425    H    SER  55           HN       SER  55  -6.310   7.860   7.860
  426    HA   SER  55           HA       SER  55  -5.016  10.468  10.468
  427   1HB   SER  55           HB1      SER  55  -7.772   9.448   9.448
  428   2HB   SER  55           HB2      SER  55  -7.331  10.715  10.715
  429    HG   SER  55           HG       SER  55  -7.168  12.122  12.122
  430    HA   PRO  56           HA       PRO  56  -3.391   9.627   9.627
  431   1HB   PRO  56           HB1      PRO  56  -3.177  12.171  12.171
  432   2HB   PRO  56           HB2      PRO  56  -2.079  11.493  11.493
  433   1HG   PRO  56           HG1      PRO  56  -4.471  13.253  13.253
  434   2HG   PRO  56           HG2      PRO  56  -2.874  13.355  13.355
  435   1HD   PRO  56           HD1      PRO  56  -5.003  12.268  12.268
  436   2HD   PRO  56           HD2      PRO  56  -3.350  11.669  11.669
  437    H    ALA  57           HN       ALA  57  -6.025  12.012  12.012
  438    HA   ALA  57           HA       ALA  57  -6.831  11.805  11.805
  439   1HB   ALA  57           HB1      ALA  57  -7.453  13.565  13.565
  440   2HB   ALA  57           HB3      ALA  57  -8.762  12.452  12.452
  441   3HB   ALA  57           HB2      ALA  57  -8.644  13.134  13.134
  442    H    VAL  58           HN       VAL  58  -7.596   9.919   9.919
  443    HA   VAL  58           HA       VAL  58  -9.839   8.551   8.551
  444    HB   VAL  58           HB       VAL  58  -7.802   7.996   7.996
  445   1HG1  VAL  58          HG13      VAL  58  -8.253   5.826   5.826
  446   2HG1  VAL  58          HG12      VAL  58  -9.982   6.075   6.075
  447   3HG1  VAL  58          HG11      VAL  58  -8.911   5.927   5.927
  448   1HG2  VAL  58          HG22      VAL  58 -10.085   9.440   9.440
  449   2HG2  VAL  58          HG21      VAL  58  -9.394   8.678   8.678
  450   3HG2  VAL  58          HG23      VAL  58 -10.688   7.874   7.874
  451    H    ALA  59           HN       ALA  59  -6.406   8.150   8.150
  452    HA   ALA  59           HA       ALA  59  -6.378   5.543   5.543
  453   1HB   ALA  59           HB2      ALA  59  -4.522   7.814   7.814
  454   2HB   ALA  59           HB1      ALA  59  -4.252   6.710   6.710
  455   3HB   ALA  59           HB3      ALA  59  -4.246   6.099   6.099
  456    H    LEU  60           HN       LEU  60  -6.007   8.603   8.603
  457    HA   LEU  60           HA       LEU  60  -6.407   7.464   7.464
  458   1HB   LEU  60           HB2      LEU  60  -5.289   9.606   9.606
  459   2HB   LEU  60           HB1      LEU  60  -6.778  10.314  10.314
  460    HG   LEU  60           HG       LEU  60  -7.808  10.070  10.070
  461   1HD1  LEU  60          HD22      LEU  60  -5.860   8.119   8.119
  462   2HD1  LEU  60          HD21      LEU  60  -5.447   9.414   9.414
  463   3HD1  LEU  60          HD23      LEU  60  -7.053   8.685   8.685
  464   1HD2  LEU  60          HD11      LEU  60  -5.339  11.594  11.594
  465   2HD2  LEU  60          HD13      LEU  60  -6.930  12.133  12.133
  466   3HD2  LEU  60          HD12      LEU  60  -5.809  11.405  11.405
  467    H    GLU  61           HN       GLU  61  -8.639   8.643   8.643
  468    HA   GLU  61           HA       GLU  61 -10.887   9.028   9.028
  469   1HB   GLU  61           HB2      GLU  61 -10.345   8.839   8.839
  470   2HB   GLU  61           HB1      GLU  61 -11.915   8.180   8.180
  471   1HG   GLU  61           HG1      GLU  61 -12.547  10.320  10.320
  472   2HG   GLU  61           HG2      GLU  61 -12.031  10.456  10.456
  473    H    LEU  62           HN       LEU  62 -10.495   6.340   6.340
  474    HA   LEU  62           HA       LEU  62 -12.404   4.707   4.707
  475   1HB   LEU  62           HB2      LEU  62 -12.085   3.317   3.317
  476   2HB   LEU  62           HB1      LEU  62 -11.149   4.644   4.644
  477    HG   LEU  62           HG       LEU  62  -9.121   3.522   3.522
  478   1HD1  LEU  62          HD23      LEU  62 -11.250   1.628   1.628
  479   2HD1  LEU  62          HD22      LEU  62  -9.857   0.887   0.887
  480   3HD1  LEU  62          HD21      LEU  62  -9.642   1.798   1.798
  481   1HD2  LEU  62          HD13      LEU  62 -10.593   2.483   2.483
  482   2HD2  LEU  62          HD12      LEU  62  -9.162   3.512   3.512
  483   3HD2  LEU  62          HD11      LEU  62  -9.040   1.802   1.802
  484    H    LEU  63           HN       LEU  63  -9.009   5.174   5.174
  485    HA   LEU  63           HA       LEU  63  -8.432   2.783   2.783
  486   1HB   LEU  63           HB2      LEU  63  -6.680   4.263   4.263
  487   2HB   LEU  63           HB1      LEU  63  -7.229   5.534   5.534
  488    HG   LEU  63           HG       LEU  63  -6.664   3.214   3.214
  489   1HD1  LEU  63          HD23      LEU  63  -5.136   3.118   3.118
  490   2HD1  LEU  63          HD22      LEU  63  -4.097   3.990   3.990
  491   3HD1  LEU  63          HD21      LEU  63  -4.715   2.394   2.394
  492   1HD2  LEU  63          HD11      LEU  63  -6.293   5.998   5.998
  493   2HD2  LEU  63          HD13      LEU  63  -5.991   4.841   4.841
  494   3HD2  LEU  63          HD12      LEU  63  -4.694   5.277   5.277
  495    H    LYS  64           HN       LYS  64  -9.013   6.005   6.005
  496    HA   LYS  64           HA       LYS  64  -9.304   5.055   5.055
  497   1HB   LYS  64           HB1      LYS  64  -9.649   7.236   7.236
  498   2HB   LYS  64           HB2      LYS  64  -8.974   7.484   7.484
  499   1HG   LYS  64           HG2      LYS  64 -11.213   7.718   7.718
  500   2HG   LYS  64           HG1      LYS  64 -11.909   7.442   7.442
  501   1HD   LYS  64           HD1      LYS  64 -11.427   9.528   9.528
  502   2HD   LYS  64           HD2      LYS  64  -9.890   9.580   9.580
  503   1HE   LYS  64           HE2      LYS  64 -12.418   9.641   9.641
  504   2HE   LYS  64           HE1      LYS  64 -11.920  11.101  11.101
  505   1HZ   LYS  64           HZ3      LYS  64 -10.181   9.618   9.618
  506   2HZ   LYS  64           HZ2      LYS  64 -11.117  10.960  10.960
  507   3HZ   LYS  64           HZ1      LYS  64  -9.872  11.126  11.126
  508    H    GLN  65           HN       GLN  65 -11.433   4.996   4.996
  509    HA   GLN  65           HA       GLN  65 -13.952   5.197   5.197
  510   1HB   GLN  65           HB2      GLN  65 -12.817   4.186   4.186
  511   2HB   GLN  65           HB1      GLN  65 -13.844   2.902   2.902
  512   1HG   GLN  65           HG1      GLN  65 -14.917   5.675   5.675
  513   2HG   GLN  65           HG2      GLN  65 -14.795   4.716   4.716
  514   1HE2  GLN  65          HE22      GLN  65 -17.385   2.506   2.506
  515   2HE2  GLN  65          HE21      GLN  65 -15.979   2.766   2.766
  516    H    GLY  66           HN       GLY  66 -11.590   2.745   2.745
  517   1HA   GLY  66           HA1      GLY  66 -12.094   1.613   1.613
  518   2HA   GLY  66           HA2      GLY  66 -13.604   1.144   1.144
  519    H    ALA  67           HN       ALA  67 -11.351   1.123   1.123
  520    HA   ALA  67           HA       ALA  67 -11.304  -1.712  -1.712
  521   1HB   ALA  67           HB3      ALA  67 -11.056   0.220   0.220
  522   2HB   ALA  67           HB2      ALA  67  -9.348  -0.132  -0.132
  523   3HB   ALA  67           HB1      ALA  67 -10.443  -1.414  -1.414
  524    H    SER  68           HN       SER  68  -8.876  -2.537  -2.537
  525    HA   SER  68           HA       SER  68  -6.951  -1.762  -1.762
  526   1HB   SER  68           HB2      SER  68  -8.577  -4.119  -4.119
  527   2HB   SER  68           HB1      SER  68  -6.895  -4.595  -4.595
  528    HG   SER  68           HG       SER  68  -6.654  -2.771  -2.771
  529    HA   PRO  69           HA       PRO  69  -4.318  -2.345  -2.345
  530   1HB   PRO  69           HB1      PRO  69  -1.945  -2.008  -2.008
  531   2HB   PRO  69           HB2      PRO  69  -3.023  -0.663  -0.663
  532   1HG   PRO  69           HG2      PRO  69  -2.676  -2.122  -2.122
  533   2HG   PRO  69           HG1      PRO  69  -2.830  -0.381  -0.381
  534   1HD   PRO  69           HD2      PRO  69  -4.902  -1.903  -1.903
  535   2HD   PRO  69           HD1      PRO  69  -5.124  -0.490  -0.490
  536    H    ASN  70           HN       ASN  70  -4.393  -4.317  -4.317
  537    HA   ASN  70           HA       ASN  70  -2.360  -6.167  -6.167
  538   1HB   ASN  70           HB1      ASN  70  -4.405  -6.546  -6.546
  539   2HB   ASN  70           HB2      ASN  70  -2.904  -7.441  -7.441
  540   1HD2  ASN  70          HD22      ASN  70  -0.838  -4.770  -4.770
  541   2HD2  ASN  70          HD21      ASN  70  -0.910  -6.023  -6.023
  542    H    VAL  71           HN       VAL  71  -3.394  -6.489  -6.489
  543    HA   VAL  71           HA       VAL  71  -5.385  -8.652  -8.652
  544    HB   VAL  71           HB       VAL  71  -6.359  -7.849  -7.849
  545   1HG1  VAL  71          HG21      VAL  71  -6.642  -6.671  -6.671
  546   2HG1  VAL  71          HG23      VAL  71  -7.014  -5.490  -5.490
  547   3HG1  VAL  71          HG22      VAL  71  -7.876  -7.027  -7.027
  548   1HG2  VAL  71          HG11      VAL  71  -4.175  -5.933  -5.933
  549   2HG2  VAL  71          HG13      VAL  71  -5.105  -6.426  -6.426
  550   3HG2  VAL  71          HG12      VAL  71  -5.732  -5.177  -5.177
  551    H    GLN  72           HN       GLN  72  -5.017 -10.396 -10.396
  552    HA   GLN  72           HA       GLN  72  -2.970 -10.250 -10.250
  553   1HB   GLN  72           HB2      GLN  72  -2.819 -12.495 -12.495
  554   2HB   GLN  72           HB1      GLN  72  -1.585 -11.912 -11.912
  555   1HG   GLN  72           HG2      GLN  72  -1.655  -9.759  -9.759
  556   2HG   GLN  72           HG1      GLN  72  -2.446 -10.780 -10.780
  557   1HE2  GLN  72          HE22      GLN  72   0.488 -12.919 -12.919
  558   2HE2  GLN  72          HE21      GLN  72  -1.202 -13.082 -13.082
  559    H    ASP  73           HN       ASP  73  -2.967 -12.106 -12.106
  560    HA   ASP  73           HA       ASP  73  -5.272 -13.886 -13.886
  561   1HB   ASP  73           HB2      ASP  73  -5.521 -13.315 -13.315
  562   2HB   ASP  73           HB1      ASP  73  -6.398 -12.429 -12.429
  563    H    ALA  74           HN       ALA  74  -3.141 -13.061 -13.061
  564    HA   ALA  74           HA       ALA  74  -2.475 -15.847 -15.847
  565   1HB   ALA  74           HB2      ALA  74  -2.310 -13.403 -13.403
  566   2HB   ALA  74           HB1      ALA  74  -0.890 -14.434 -14.434
  567   3HB   ALA  74           HB3      ALA  74  -2.494 -15.077 -15.077
  568    H    SER  75           HN       SER  75  -1.318 -16.284 -16.284
  569    HA   SER  75           HA       SER  75   0.650 -16.725 -16.725
  570   1HB   SER  75           HB2      SER  75   1.504 -16.165 -16.165
  571   2HB   SER  75           HB1      SER  75   2.385 -14.971 -14.971
  572    HG   SER  75           HG       SER  75   2.675 -17.700 -17.700
  573    H    GLY  76           HN       GLY  76   0.696 -13.359 -13.359
  574   1HA   GLY  76           HA1      GLY  76   0.165 -12.133 -12.133
  575   2HA   GLY  76           HA2      GLY  76   1.910 -12.323 -12.323
  576    H    THR  77           HN       THR  77  -0.656 -11.381 -11.381
  577    HA   THR  77           HA       THR  77   1.070  -9.185  -9.185
  578    HB   THR  77           HB       THR  77  -1.462 -10.139 -10.139
  579    HG1  THR  77           HG1      THR  77  -0.317 -11.615 -11.615
  580   1HG2  THR  77          HG22      THR  77   0.499  -8.133  -8.133
  581   2HG2  THR  77          HG21      THR  77   0.426  -9.360  -9.360
  582   3HG2  THR  77          HG23      THR  77  -1.036  -8.494  -8.494
  583    H    SER  78           HN       SER  78   0.428  -8.157  -8.157
  584    HA   SER  78           HA       SER  78  -2.238  -7.178  -7.178
  585   1HB   SER  78           HB2      SER  78  -0.249  -5.622  -5.622
  586   2HB   SER  78           HB1      SER  78  -1.526  -6.657  -6.657
  587    HG   SER  78           HG       SER  78   0.861  -7.200  -7.200
  588    HA   PRO  79           HA       PRO  79  -2.435  -3.364  -3.364
  589   1HB   PRO  79           HB1      PRO  79  -2.507  -1.441  -1.441
  590   2HB   PRO  79           HB2      PRO  79  -3.902  -2.290  -2.290
  591   1HG   PRO  79           HG2      PRO  79  -2.357  -2.844  -2.844
  592   2HG   PRO  79           HG1      PRO  79  -4.098  -2.995  -2.995
  593   1HD   PRO  79           HD1      PRO  79  -2.512  -5.147  -5.147
  594   2HD   PRO  79           HD2      PRO  79  -3.863  -5.049  -5.049
  595    H    VAL  80           HN       VAL  80  -0.196  -3.185  -3.185
  596    HA   VAL  80           HA       VAL  80   1.375  -1.065  -1.065
  597    HB   VAL  80           HB       VAL  80   3.231  -2.463  -2.463
  598   1HG1  VAL  80          HG23      VAL  80   1.802  -0.389  -0.389
  599   2HG1  VAL  80          HG22      VAL  80   0.956  -1.551  -1.551
  600   3HG1  VAL  80          HG21      VAL  80   2.688  -1.289  -1.289
  601   1HG2  VAL  80          HG11      VAL  80   1.451  -4.430  -4.430
  602   2HG2  VAL  80          HG13      VAL  80   2.575  -4.246  -4.246
  603   3HG2  VAL  80          HG12      VAL  80   0.915  -3.669  -3.669
  604    H    HIS  81           HN       HIS  81   1.229  -4.331  -4.331
  605    HA   HIS  81           HA       HIS  81   3.792  -4.413  -4.413
  606   1HB   HIS  81           HB1      HIS  81   1.624  -6.195  -6.195
  607   2HB   HIS  81           HB2      HIS  81   1.911  -6.105  -6.105
  608    HD2  HIS  81           HD2      HIS  81   4.284  -7.203  -7.203
  609    HE1  HIS  81           HE1      HIS  81   5.447  -8.713  -8.713
  610    HE2  HIS  81           HE2      HIS  81   6.041  -8.583  -8.583
  611    H    ASP  82           HN       ASP  82   0.586  -4.356  -4.356
  612    HA   ASP  82           HA       ASP  82   1.545  -3.560  -3.560
  613   1HB   ASP  82           HB1      ASP  82  -1.142  -2.608  -2.608
  614   2HB   ASP  82           HB2      ASP  82  -0.951  -4.217  -4.217
  615    H    ALA  83           HN       ALA  83   0.808  -1.738  -1.738
  616    HA   ALA  83           HA       ALA  83   0.327   0.789   0.789
  617   1HB   ALA  83           HB2      ALA  83   0.282  -0.030  -0.030
  618   2HB   ALA  83           HB1      ALA  83   1.990   0.408   0.408
  619   3HB   ALA  83           HB3      ALA  83   0.769   1.634   1.634
  620    H    ALA  84           HN       ALA  84   3.456  -0.619  -0.619
  621    HA   ALA  84           HA       ALA  84   5.036   1.555   1.555
  622   1HB   ALA  84           HB2      ALA  84   5.652  -0.459  -0.459
  623   2HB   ALA  84           HB1      ALA  84   6.028  -1.272  -1.272
  624   3HB   ALA  84           HB3      ALA  84   6.886   0.202   0.202
  625    H    ARG  85           HN       ARG  85   4.130  -1.426  -1.426
  626    HA   ARG  85           HA       ARG  85   5.592  -0.772  -0.772
  627   1HB   ARG  85           HB1      ARG  85   4.641  -3.078  -3.078
  628   2HB   ARG  85           HB2      ARG  85   3.270  -2.639  -2.639
  629   1HG   ARG  85           HG1      ARG  85   4.336  -3.395  -3.395
  630   2HG   ARG  85           HG2      ARG  85   5.627  -2.221  -2.221
  631   1HD   ARG  85           HD2      ARG  85   6.422  -3.960  -3.960
  632   2HD   ARG  85           HD1      ARG  85   5.462  -5.082  -5.082
  633    HE   ARG  85           HE       ARG  85   8.016  -4.073  -4.073
  634   1HH1  ARG  85          HH11      ARG  85   4.944  -4.845  -4.845
  635   2HH1  ARG  85          HH12      ARG  85   5.620  -5.187  -5.187
  636   1HH2  ARG  85          HH21      ARG  85   8.915  -4.520  -4.520
  637   2HH2  ARG  85          HH22      ARG  85   7.876  -5.001  -5.001
  638    H    THR  86           HN       THR  86   2.379  -0.118  -0.118
  639    HA   THR  86           HA       THR  86   1.218   0.578   0.578
  640    HB   THR  86           HB       THR  86  -0.436   1.832   1.832
  641    HG1  THR  86           HG1      THR  86   0.758   2.135   2.135
  642   1HG2  THR  86          HG23      THR  86  -0.050  -0.989  -0.989
  643   2HG2  THR  86          HG22      THR  86  -0.779  -0.651  -0.651
  644   3HG2  THR  86          HG21      THR  86  -1.546  -0.060  -0.060
  645    H    GLY  87           HN       GLY  87   3.650   2.046   2.046
  646   1HA   GLY  87           HA1      GLY  87   4.636   4.118   4.118
  647   2HA   GLY  87           HA2      GLY  87   3.880   4.256   4.256
  648    H    PHE  88           HN       PHE  88   3.233   4.651   4.651
  649    HA   PHE  88           HA       PHE  88   1.938   7.167   7.167
  650   1HB   PHE  88           HB2      PHE  88   0.341   4.725   4.725
  651   2HB   PHE  88           HB1      PHE  88  -0.169   6.305   6.305
  652    HD1  PHE  88           HD2      PHE  88   0.422   8.067   8.067
  653    HD2  PHE  88           HD1      PHE  88  -1.155   4.105   4.105
  654    HE1  PHE  88           HE2      PHE  88  -0.684   8.509   8.509
  655    HE2  PHE  88           HE1      PHE  88  -2.263   4.539   4.539
  656    HZ   PHE  88           HZ       PHE  88  -2.028   6.744   6.744
  657    H    LEU  89           HN       LEU  89   4.090   7.054   7.054
  658    HA   LEU  89           HA       LEU  89   4.095   6.240   6.240
  659   1HB   LEU  89           HB2      LEU  89   6.108   7.013   7.013
  660   2HB   LEU  89           HB1      LEU  89   5.429   8.614   8.614
  661    HG   LEU  89           HG       LEU  89   7.140   8.298   8.298
  662   1HD1  LEU  89          HD11      LEU  89   5.084  10.052  10.052
  663   2HD1  LEU  89          HD13      LEU  89   4.780   9.452   9.452
  664   3HD1  LEU  89          HD12      LEU  89   6.334  10.186  10.186
  665   1HD2  LEU  89          HD21      LEU  89   4.815   6.755   6.755
  666   2HD2  LEU  89          HD23      LEU  89   6.539   6.403   6.403
  667   3HD2  LEU  89          HD22      LEU  89   5.832   7.664   7.664
  668    H    ASP  90           HN       ASP  90   2.540   8.987   8.987
  669    HA   ASP  90           HA       ASP  90   2.128  10.593  10.593
  670   1HB   ASP  90           HB2      ASP  90   0.124  11.448  11.448
  671   2HB   ASP  90           HB1      ASP  90   0.442  10.205  10.205
  672    H    THR  91           HN       THR  91  -0.337   8.499   8.499
  673    HA   THR  91           HA       THR  91  -1.960   8.487   8.487
  674    HB   THR  91           HB       THR  91  -2.085   6.555   6.555
  675    HG1  THR  91           HG1      THR  91  -2.248   8.492   8.492
  676   1HG2  THR  91          HG22      THR  91  -4.142   7.490   7.490
  677   2HG2  THR  91          HG21      THR  91  -4.534   6.649   6.649
  678   3HG2  THR  91          HG23      THR  91  -3.561   5.847   5.847
  679    H    LEU  92           HN       LEU  92   0.684   6.573   6.573
  680    HA   LEU  92           HA       LEU  92   0.122   4.250   4.250
  681   1HB   LEU  92           HB1      LEU  92   1.549   3.939   3.939
  682   2HB   LEU  92           HB2      LEU  92   2.578   5.279   5.279
  683    HG   LEU  92           HG       LEU  92   2.364   2.784   2.784
  684   1HD1  LEU  92          HD11      LEU  92   3.622   3.118   3.118
  685   2HD1  LEU  92          HD13      LEU  92   4.784   2.678   2.678
  686   3HD1  LEU  92          HD12      LEU  92   3.375   1.659   1.659
  687   1HD2  LEU  92          HD22      LEU  92   3.674   5.286   5.286
  688   2HD2  LEU  92          HD21      LEU  92   3.722   3.890   3.890
  689   3HD2  LEU  92          HD23      LEU  92   4.902   4.042   4.042
  690    H    LYS  93           HN       LYS  93   2.128   7.122   7.122
  691    HA   LYS  93           HA       LYS  93   3.251   6.324   6.324
  692   1HB   LYS  93           HB1      LYS  93   4.118   8.529   8.529
  693   2HB   LYS  93           HB2      LYS  93   4.144   8.097   8.097
  694   1HG   LYS  93           HG2      LYS  93   2.642   9.675   9.675
  695   2HG   LYS  93           HG1      LYS  93   1.726   9.491   9.491
  696   1HD   LYS  93           HD1      LYS  93   2.638  11.579  11.579
  697   2HD   LYS  93           HD2      LYS  93   3.851  10.564  10.564
  698   1HE   LYS  93           HE2      LYS  93   5.288  10.678  10.678
  699   2HE   LYS  93           HE1      LYS  93   4.030  11.409  11.409
  700   1HZ   LYS  93           HZ1      LYS  93   4.321  13.080  13.080
  701   2HZ   LYS  93           HZ3      LYS  93   5.901  12.663  12.663
  702   3HZ   LYS  93           HZ2      LYS  93   4.863  13.361  13.361
  703    H    VAL  94           HN       VAL  94   0.274   7.998   7.998
  704    HA   VAL  94           HA       VAL  94  -0.292   9.011   9.011
  705    HB   VAL  94           HB       VAL  94  -2.732   8.891   8.891
  706   1HG1  VAL  94          HG12      VAL  94  -0.537  10.652  10.652
  707   2HG1  VAL  94          HG11      VAL  94  -1.751  10.699  10.699
  708   3HG1  VAL  94          HG13      VAL  94  -2.214  11.037  11.037
  709   1HG2  VAL  94          HG23      VAL  94  -1.272   8.254   8.254
  710   2HG2  VAL  94          HG22      VAL  94  -2.494   7.270   7.270
  711   3HG2  VAL  94          HG21      VAL  94  -2.935   8.820   8.820
  712    H    LEU  95           HN       LEU  95  -1.532   6.073   6.073
  713    HA   LEU  95           HA       LEU  95  -2.819   5.148   5.148
  714   1HB   LEU  95           HB1      LEU  95  -3.454   3.250   3.250
  715   2HB   LEU  95           HB2      LEU  95  -3.505   4.596   4.596
  716    HG   LEU  95           HG       LEU  95  -0.950   3.618   3.618
  717   1HD1  LEU  95          HD22      LEU  95  -2.253   1.611   1.611
  718   2HD1  LEU  95          HD21      LEU  95  -2.414   1.129   1.129
  719   3HD1  LEU  95          HD23      LEU  95  -0.816   1.423   1.423
  720   1HD2  LEU  95          HD11      LEU  95  -3.163   4.137   4.137
  721   2HD2  LEU  95          HD13      LEU  95  -1.628   3.517   3.517
  722   3HD2  LEU  95          HD12      LEU  95  -2.943   2.404   2.404
  723    H    VAL  96           HN       VAL  96   0.275   4.623   4.623
  724    HA   VAL  96           HA       VAL  96   1.036   2.384   2.384
  725    HB   VAL  96           HB       VAL  96   2.615   4.274   4.274
  726   1HG1  VAL  96          HG13      VAL  96   3.581   2.489   2.489
  727   2HG1  VAL  96          HG12      VAL  96   4.190   2.031   2.031
  728   3HG1  VAL  96          HG11      VAL  96   4.463   3.663   3.663
  729   1HG2  VAL  96          HG23      VAL  96   1.086   2.656   2.656
  730   2HG2  VAL  96          HG22      VAL  96   2.782   2.393   2.393
  731   3HG2  VAL  96          HG21      VAL  96   1.982   1.344   1.344
  732    H    GLU  97           HN       GLU  97   2.013   5.815   5.815
  733    HA   GLU  97           HA       GLU  97   3.701   5.745   5.745
  734   1HB   GLU  97           HB2      GLU  97   3.427   8.098   8.098
  735   2HB   GLU  97           HB1      GLU  97   3.260   7.701   7.701
  736   1HG   GLU  97           HG2      GLU  97   0.830   7.893   7.893
  737   2HG   GLU  97           HG1      GLU  97   1.611   9.361   9.361
  738    H    HIS  98           HN       HIS  98   0.208   5.737   5.737
  739    HA   HIS  98           HA       HIS  98  -0.373   6.461   6.461
  740   1HB   HIS  98           HB1      HIS  98  -1.852   5.709   5.709
  741   2HB   HIS  98           HB2      HIS  98  -2.060   4.319   4.319
  742    HD2  HIS  98           HD2      HIS  98  -4.195   6.991   6.991
  743    HE1  HIS  98           HE1      HIS  98  -4.158   7.099   7.099
  744    HE2  HIS  98           HE2      HIS  98  -5.264   8.004   8.004
  745    H    GLY  99           HN       GLY  99   1.134   3.641   3.641
  746   1HA   GLY  99           HA2      GLY  99   2.327   2.407   2.407
  747   2HA   GLY  99           HA1      GLY  99   0.746   2.286   2.286
  748    H    ALA 100           HN       ALA 100   0.410   2.060   2.060
  749    HA   ALA 100           HA       ALA 100  -0.611  -0.492  -0.492
  750   1HB   ALA 100           HB2      ALA 100  -0.519   1.418   1.418
  751   2HB   ALA 100           HB1      ALA 100   0.836   0.466   0.466
  752   3HB   ALA 100           HB3      ALA 100  -0.761  -0.268  -0.268
  753    H    ASP 101           HN       ASP 101   0.184  -2.507  -2.507
  754    HA   ASP 101           HA       ASP 101   2.676  -3.213  -3.213
  755   1HB   ASP 101           HB1      ASP 101   1.727  -5.107  -5.107
  756   2HB   ASP 101           HB2      ASP 101   0.434  -4.578  -4.578
  757    H    VAL 102           HN       VAL 102   4.372  -2.083  -2.083
  758    HA   VAL 102           HA       VAL 102   4.826  -2.291  -2.291
  759    HB   VAL 102           HB       VAL 102   6.855  -0.748  -0.748
  760   1HG1  VAL 102          HG12      VAL 102   4.098  -0.254  -0.254
  761   2HG1  VAL 102          HG11      VAL 102   4.846   1.122   1.122
  762   3HG1  VAL 102          HG13      VAL 102   5.602   0.427   0.427
  763   1HG2  VAL 102          HG21      VAL 102   6.199  -1.060  -1.060
  764   2HG2  VAL 102          HG23      VAL 102   6.446   0.602   0.602
  765   3HG2  VAL 102          HG22      VAL 102   4.811  -0.028  -0.028
  766    H    ASN 103           HN       ASN 103   5.233  -4.463  -4.463
  767    HA   ASN 103           HA       ASN 103   8.026  -5.064  -5.064
  768   1HB   ASN 103           HB2      ASN 103   7.114  -6.350  -6.350
  769   2HB   ASN 103           HB1      ASN 103   8.615  -5.493  -5.493
  770   1HD2  ASN 103          HD22      ASN 103   7.471  -2.378  -2.378
  771   2HD2  ASN 103          HD21      ASN 103   8.563  -3.156  -3.156
  772    H    ALA 104           HN       ALA 104   5.150  -5.799  -5.799
  773    HA   ALA 104           HA       ALA 104   5.190  -8.687  -8.687
  774   1HB   ALA 104           HB3      ALA 104   3.185  -6.730  -6.730
  775   2HB   ALA 104           HB2      ALA 104   3.169  -7.927  -7.927
  776   3HB   ALA 104           HB1      ALA 104   2.989  -8.441  -8.441
  777    H    LEU 105           HN       LEU 105   4.939 -10.104 -10.104
  778    HA   LEU 105           HA       LEU 105   6.090  -9.051  -9.051
  779   1HB   LEU 105           HB2      LEU 105   7.170 -11.668 -11.668
  780   2HB   LEU 105           HB1      LEU 105   7.963 -10.306 -10.306
  781    HG   LEU 105           HG       LEU 105   7.285 -10.223 -10.223
  782   1HD1  LEU 105          HD12      LEU 105   8.635 -12.309 -12.309
  783   2HD1  LEU 105          HD11      LEU 105   9.948 -11.165 -11.165
  784   3HD1  LEU 105          HD13      LEU 105   9.236 -11.310 -11.310
  785   1HD2  LEU 105          HD21      LEU 105   8.129  -8.266  -8.266
  786   2HD2  LEU 105          HD23      LEU 105   8.726  -8.453  -8.453
  787   3HD2  LEU 105          HD22      LEU 105   9.696  -9.021  -9.021
  788    H    ASP 106           HN       ASP 106   6.237 -11.093 -11.093
  789    HA   ASP 106           HA       ASP 106   3.668 -12.487 -12.487
  790   1HB   ASP 106           HB1      ASP 106   3.903 -10.615 -10.615
  791   2HB   ASP 106           HB2      ASP 106   3.235 -12.161 -12.161
  792    H    SER 107           HN       SER 107   4.143 -13.966 -13.966
  793    HA   SER 107           HA       SER 107   5.232 -16.297 -16.297
  794   1HB   SER 107           HB1      SER 107   5.778 -16.536 -16.536
  795   2HB   SER 107           HB2      SER 107   4.192 -16.814 -16.814
  796    HG   SER 107           HG       SER 107   5.086 -14.725 -14.725
  797    H    THR 108           HN       THR 108   6.878 -14.021 -14.021
  798    HA   THR 108           HA       THR 108   9.383 -15.273 -15.273
  799    HB   THR 108           HB       THR 108   9.611 -12.408 -12.408
  800    HG1  THR 108           HG1      THR 108   8.111 -12.095 -12.095
  801   1HG2  THR 108          HG21      THR 108  10.626 -14.715 -14.715
  802   2HG2  THR 108          HG23      THR 108   9.679 -13.924 -13.924
  803   3HG2  THR 108          HG22      THR 108  10.970 -13.043 -13.043
  804    H    GLY 109           HN       GLY 109   7.878 -12.891 -12.891
  805   1HA   GLY 109           HA2      GLY 109   8.468 -12.642 -12.642
  806   2HA   GLY 109           HA1      GLY 109  10.061 -13.285 -13.285
  807    H    SER 110           HN       SER 110   9.704 -11.264 -11.264
  808    HA   SER 110           HA       SER 110  11.454  -9.313  -9.313
  809   1HB   SER 110           HB1      SER 110   9.809  -8.415  -8.415
  810   2HB   SER 110           HB2      SER 110  11.556  -8.634  -8.634
  811    HG   SER 110           HG       SER 110  10.488 -10.070 -10.070
  812    H    LEU 111           HN       LEU 111  11.017  -7.842  -7.842
  813    HA   LEU 111           HA       LEU 111   8.457  -7.091  -7.091
  814   1HB   LEU 111           HB1      LEU 111  11.074  -6.633  -6.633
  815   2HB   LEU 111           HB2      LEU 111  10.455  -5.033  -5.033
  816    HG   LEU 111           HG       LEU 111   8.532  -6.528  -6.528
  817   1HD1  LEU 111          HD23      LEU 111  10.583  -7.693  -7.693
  818   2HD1  LEU 111          HD22      LEU 111  11.219  -6.135  -6.135
  819   3HD1  LEU 111          HD21      LEU 111   9.757  -6.785  -6.785
  820   1HD2  LEU 111          HD12      LEU 111   9.505  -3.899  -3.899
  821   2HD2  LEU 111          HD11      LEU 111   8.128  -4.452  -4.452
  822   3HD2  LEU 111          HD13      LEU 111   9.726  -4.346  -4.346
  823    HA   PRO 112           HA       PRO 112   6.718  -4.158  -4.158
  824   1HB   PRO 112           HB2      PRO 112   6.767  -2.325  -2.325
  825   2HB   PRO 112           HB1      PRO 112   5.455  -2.650  -2.650
  826   1HG   PRO 112           HG1      PRO 112   5.477  -3.779  -3.779
  827   2HG   PRO 112           HG2      PRO 112   4.917  -4.675  -4.675
  828   1HD   PRO 112           HD2      PRO 112   7.427  -4.968  -4.968
  829   2HD   PRO 112           HD1      PRO 112   6.542  -6.170  -6.170
  830    H    ILE 113           HN       ILE 113   9.357  -3.128  -3.128
  831    HA   ILE 113           HA       ILE 113  10.028  -0.808  -0.808
  832    HB   ILE 113           HB       ILE 113  10.710  -0.860  -0.860
  833   1HG1  ILE 113          HG11      ILE 113  13.074  -0.334  -0.334
  834   2HG1  ILE 113          HG12      ILE 113  13.187  -1.231  -1.231
  835   1HG2  ILE 113          HG23      ILE 113  12.081  -3.429  -3.429
  836   2HG2  ILE 113          HG22      ILE 113  12.492  -2.522  -2.522
  837   3HG2  ILE 113          HG21      ILE 113  10.858  -3.152  -3.152
  838   1HD1  ILE 113          HD12      ILE 113  11.379   0.457   0.457
  839   2HD1  ILE 113          HD11      ILE 113  11.971   1.432   1.432
  840   3HD1  ILE 113          HD13      ILE 113  13.075   0.932   0.932
  841    H    HIS 114           HN       HIS 114  11.168  -4.146  -4.146
  842    HA   HIS 114           HA       HIS 114  13.377  -3.833  -3.833
  843   1HB   HIS 114           HB1      HIS 114  11.601  -6.261  -6.261
  844   2HB   HIS 114           HB2      HIS 114  13.224  -6.255  -6.255
  845    HD2  HIS 114           HD2      HIS 114  15.081  -4.986  -4.986
  846    HE1  HIS 114           HE1      HIS 114  12.990  -7.146  -7.146
  847    HE2  HIS 114           HE2      HIS 114  15.142  -5.927  -5.927
  848    H    LEU 115           HN       LEU 115   9.958  -4.281  -4.281
  849    HA   LEU 115           HA       LEU 115  10.237  -4.784  -4.784
  850   1HB   LEU 115           HB1      LEU 115   7.892  -3.702  -3.702
  851   2HB   LEU 115           HB2      LEU 115   7.822  -4.232  -4.232
  852    HG   LEU 115           HG       LEU 115   8.625  -6.509  -6.509
  853   1HD1  LEU 115          HD21      LEU 115   8.063  -5.048  -5.048
  854   2HD1  LEU 115          HD23      LEU 115   7.700  -6.771  -6.771
  855   3HD1  LEU 115          HD22      LEU 115   9.345  -6.198  -6.198
  856   1HD2  LEU 115          HD12      LEU 115   6.175  -5.530  -5.530
  857   2HD2  LEU 115          HD11      LEU 115   6.481  -7.198  -7.198
  858   3HD2  LEU 115          HD13      LEU 115   5.954  -6.018  -6.018
  859    H    ALA 116           HN       ALA 116   9.391  -1.857  -1.857
  860    HA   ALA 116           HA       ALA 116   9.099  -0.104  -0.104
  861   1HB   ALA 116           HB2      ALA 116   8.760   0.216   0.216
  862   2HB   ALA 116           HB1      ALA 116  10.407   0.843   0.843
  863   3HB   ALA 116           HB3      ALA 116   9.136   1.598   1.598
  864    H    ILE 117           HN       ILE 117  12.017  -1.218  -1.218
  865    HA   ILE 117           HA       ILE 117  13.837   0.575   0.575
  866    HB   ILE 117           HB       ILE 117  14.265  -2.246  -2.246
  867   1HG1  ILE 117          HG12      ILE 117  14.954   0.414   0.414
  868   2HG1  ILE 117          HG11      ILE 117  13.535  -0.545  -0.545
  869   1HG2  ILE 117          HG22      ILE 117  16.153  -0.239  -0.239
  870   2HG2  ILE 117          HG21      ILE 117  16.704  -1.309  -1.309
  871   3HG2  ILE 117          HG23      ILE 117  16.097  -1.988  -1.988
  872   1HD1  ILE 117          HD12      ILE 117  15.189  -2.413  -2.413
  873   2HD1  ILE 117          HD11      ILE 117  16.415  -1.145  -1.145
  874   3HD1  ILE 117          HD13      ILE 117  15.071  -1.053  -1.053
  875    H    ARG 118           HN       ARG 118  12.673  -2.622  -2.622
  876    HA   ARG 118           HA       ARG 118  14.301  -2.912  -2.912
  877   1HB   ARG 118           HB2      ARG 118  11.496  -3.985  -3.985
  878   2HB   ARG 118           HB1      ARG 118  12.779  -4.639  -4.639
  879   1HG   ARG 118           HG1      ARG 118  14.003  -4.791  -4.791
  880   2HG   ARG 118           HG2      ARG 118  12.328  -4.904  -4.904
  881   1HD   ARG 118           HD2      ARG 118  12.846  -7.119  -7.119
  882   2HD   ARG 118           HD1      ARG 118  12.114  -6.667  -6.667
  883    HE   ARG 118           HE       ARG 118  14.754  -6.205  -6.205
  884   1HH1  ARG 118          HH11      ARG 118  12.933  -8.949  -8.949
  885   2HH1  ARG 118          HH12      ARG 118  14.056 -10.113 -10.113
  886   1HH2  ARG 118          HH21      ARG 118  16.240  -7.728  -7.728
  887   2HH2  ARG 118          HH22      ARG 118  15.937  -9.419  -9.419
  888    H    GLU 119           HN       GLU 119  11.715  -0.823  -0.823
  889    HA   GLU 119           HA       GLU 119  11.226  -0.344  -0.344
  890   1HB   GLU 119           HB1      GLU 119   9.642   0.608   0.608
  891   2HB   GLU 119           HB2      GLU 119   9.207   0.839   0.839
  892   1HG   GLU 119           HG1      GLU 119   8.294  -1.181  -1.181
  893   2HG   GLU 119           HG2      GLU 119   9.667  -1.950  -1.950
  894    H    GLY 120           HN       GLY 120  11.811   1.411   1.411
  895   1HA   GLY 120           HA1      GLY 120  13.158   3.274   3.274
  896   2HA   GLY 120           HA2      GLY 120  13.507   3.292   3.292
  897    H    HIS 121           HN       HIS 121  10.252   3.220   3.220
  898    HA   HIS 121           HA       HIS 121   9.291   5.305   5.305
  899   1HB   HIS 121           HB2      HIS 121   8.368   4.099   4.099
  900   2HB   HIS 121           HB1      HIS 121   7.490   5.437   5.437
  901    HD2  HIS 121           HD2      HIS 121   8.122   1.655   1.655
  902    HE1  HIS 121           HE1      HIS 121   5.279   2.984   2.984
  903    HE2  HIS 121           HE2      HIS 121   6.553   0.980   0.980
  904    H    SER 122           HN       SER 122   8.025   7.164   7.164
  905    HA   SER 122           HA       SER 122   9.970   9.126   9.126
  906   1HB   SER 122           HB1      SER 122   8.197  10.472  10.472
  907   2HB   SER 122           HB2      SER 122   7.566   9.585   9.585
  908    HG   SER 122           HG       SER 122   6.869   7.982   7.982
  909    H    SER 123           HN       SER 123   8.478   9.755   9.755
  910    HA   SER 123           HA       SER 123  10.744   9.049   9.049
  911   1HB   SER 123           HB2      SER 123   8.305   9.866   9.866
  912   2HB   SER 123           HB1      SER 123   9.932  10.547  10.547
  913    HG   SER 123           HG       SER 123   8.127  11.831  11.831
  914    H    VAL 124           HN       VAL 124   8.346   7.131   7.131
  915    HA   VAL 124           HA       VAL 124   7.333   5.791   5.791
  916    HB   VAL 124           HB       VAL 124   7.893   3.817   3.817
  917   1HG1  VAL 124          HG21      VAL 124   5.972   3.905   3.905
  918   2HG1  VAL 124          HG23      VAL 124   5.336   5.276   5.276
  919   3HG1  VAL 124          HG22      VAL 124   5.488   3.700   3.700
  920   1HG2  VAL 124          HG11      VAL 124   6.866   6.425   6.425
  921   2HG2  VAL 124          HG13      VAL 124   8.310   5.546   5.546
  922   3HG2  VAL 124          HG12      VAL 124   6.711   4.870   4.870
  923    H    VAL 125           HN       VAL 125  10.019   4.532   4.532
  924    HA   VAL 125           HA       VAL 125  10.878   2.591   2.591
  925    HB   VAL 125           HB       VAL 125  12.875   4.158   4.158
  926   1HG1  VAL 125          HG11      VAL 125  13.132   1.934   1.934
  927   2HG1  VAL 125          HG13      VAL 125  12.786   1.220   1.220
  928   3HG1  VAL 125          HG12      VAL 125  14.157   2.312   2.312
  929   1HG2  VAL 125          HG22      VAL 125  10.704   2.373   2.373
  930   2HG2  VAL 125          HG21      VAL 125  11.148   3.996   3.996
  931   3HG2  VAL 125          HG23      VAL 125  12.212   2.634   2.634
  932    H    SER 126           HN       SER 126  11.505   6.025   6.025
  933    HA   SER 126           HA       SER 126  13.580   5.982   5.982
  934   1HB   SER 126           HB1      SER 126  13.219   7.803   7.803
  935   2HB   SER 126           HB2      SER 126  11.811   8.308   8.308
  936    HG   SER 126           HG       SER 126  13.159   9.387   9.387
  937    H    PHE 127           HN       PHE 127  10.217   7.082   7.082
  938    HA   PHE 127           HA       PHE 127  10.242   7.451   7.451
  939   1HB   PHE 127           HB1      PHE 127   8.611   8.679   8.679
  940   2HB   PHE 127           HB2      PHE 127   8.024   7.251   7.251
  941    HD1  PHE 127           HD2      PHE 127   6.809   5.475   5.475
  942    HD2  PHE 127           HD1      PHE 127   7.659   9.352   9.352
  943    HE1  PHE 127           HE2      PHE 127   5.075   5.158   5.158
  944    HE2  PHE 127           HE1      PHE 127   5.926   9.042   9.042
  945    HZ   PHE 127           HZ       PHE 127   4.631   6.943   6.943
  946    H    LEU 128           HN       LEU 128   8.948   4.829   4.829
  947    HA   LEU 128           HA       LEU 128   7.950   3.313   3.313
  948   1HB   LEU 128           HB2      LEU 128   7.001   2.283   2.283
  949   2HB   LEU 128           HB1      LEU 128   8.073   3.097   3.097
  950    HG   LEU 128           HG       LEU 128   9.753   1.199   1.199
  951   1HD1  LEU 128          HD12      LEU 128   7.306   0.380   0.380
  952   2HD1  LEU 128          HD11      LEU 128   7.901  -0.839  -0.839
  953   3HD1  LEU 128          HD13      LEU 128   8.947  -0.247  -0.247
  954   1HD2  LEU 128          HD21      LEU 128   7.855   1.578   1.578
  955   2HD2  LEU 128          HD23      LEU 128   9.349   0.643   0.643
  956   3HD2  LEU 128          HD22      LEU 128   7.838  -0.138  -0.138
  957    H    ALA 129           HN       ALA 129  11.093   4.011   4.011
  958    HA   ALA 129           HA       ALA 129  12.345   1.517   1.517
  959   1HB   ALA 129           HB2      ALA 129  13.156   3.946   3.946
  960   2HB   ALA 129           HB1      ALA 129  14.036   3.816   3.816
  961   3HB   ALA 129           HB3      ALA 129  14.173   2.539   2.539
  962    HA   PRO 130           HA       PRO 130  13.425   3.639   3.639
  963   1HB   PRO 130           HB1      PRO 130  11.737   5.731   5.731
  964   2HB   PRO 130           HB2      PRO 130  13.365   5.915   5.915
  965   1HG   PRO 130           HG1      PRO 130  10.726   6.011   6.011
  966   2HG   PRO 130           HG2      PRO 130  12.166   7.018   7.018
  967   1HD   PRO 130           HD2      PRO 130  11.553   5.014   5.014
  968   2HD   PRO 130           HD1      PRO 130  13.239   5.393   5.393
  969    H    GLU 131           HN       GLU 131   9.992   4.476   4.476
  970    HA   GLU 131           HA       GLU 131   8.942   3.495   3.495
  971   1HB   GLU 131           HB2      GLU 131   7.468   2.929   2.929
  972   2HB   GLU 131           HB1      GLU 131   6.850   3.526   3.526
  973   1HG   GLU 131           HG2      GLU 131   7.106   5.644   5.644
  974   2HG   GLU 131           HG1      GLU 131   8.743   5.361   5.361
  975    H    SER 132           HN       SER 132  10.186   1.674   1.674
  976    HA   SER 132           HA       SER 132   9.068  -0.831  -0.831
  977   1HB   SER 132           HB1      SER 132   9.360  -0.201  -0.201
  978   2HB   SER 132           HB2      SER 132  11.076  -0.530  -0.530
  979    HG   SER 132           HG       SER 132  10.455  -2.642  -2.642
  980    H    ASP 133           HN       ASP 133  10.138  -2.327  -2.327
  981    HA   ASP 133           HA       ASP 133  12.200  -1.841  -1.841
  982   1HB   ASP 133           HB1      ASP 133  12.372  -4.539  -4.539
  983   2HB   ASP 133           HB2      ASP 133  10.773  -4.076  -4.076
  984    H    LEU 134           HN       LEU 134  13.838  -0.578  -0.578
  985    HA   LEU 134           HA       LEU 134  15.254  -1.098  -1.098
  986   1HB   LEU 134           HB2      LEU 134  15.554   0.655   0.655
  987   2HB   LEU 134           HB1      LEU 134  17.039   0.283   0.283
  988    HG   LEU 134           HG       LEU 134  14.609   1.707   1.707
  989   1HD1  LEU 134          HD13      LEU 134  17.212   2.473   2.473
  990   2HD1  LEU 134          HD12      LEU 134  16.993   2.969   2.969
  991   3HD1  LEU 134          HD11      LEU 134  15.838   3.485   3.485
  992   1HD2  LEU 134          HD21      LEU 134  16.835   0.399   0.399
  993   2HD2  LEU 134          HD23      LEU 134  15.095   0.233   0.233
  994   3HD2  LEU 134          HD22      LEU 134  15.901   1.744   1.744
  995    H    HIS 135           HN       HIS 135  15.418  -3.499  -3.499
  996    HA   HIS 135           HA       HIS 135  18.073  -4.214  -4.214
  997   1HB   HIS 135           HB1      HIS 135  16.857  -3.723  -3.723
  998   2HB   HIS 135           HB2      HIS 135  16.756  -5.473  -5.473
  999    HD2  HIS 135           HD2      HIS 135  19.592  -6.251  -6.251
 1000    HE1  HIS 135           HE1      HIS 135  21.172  -3.848  -3.848
 1001    HE2  HIS 135           HE2      HIS 135  21.722  -5.539  -5.539
 1002    H    HIS 136           HN       HIS 136  14.728  -5.308  -5.308
 1003    HA   HIS 136           HA       HIS 136  15.070  -8.023  -8.023
 1004   1HB   HIS 136           HB1      HIS 136  12.926  -6.504  -6.504
 1005   2HB   HIS 136           HB2      HIS 136  12.708  -6.719  -6.719
 1006    HD2  HIS 136           HD2      HIS 136  10.453  -8.303  -8.303
 1007    HE1  HIS 136           HE1      HIS 136  12.713 -11.520 -11.520
 1008    HE2  HIS 136           HE2      HIS 136  10.395 -10.734 -10.734
 1009    H    ARG 137           HN       ARG 137  14.759  -9.343  -9.343
 1010    HA   ARG 137           HA       ARG 137  15.141  -8.032  -8.032
 1011   1HB   ARG 137           HB1      ARG 137  17.295  -9.030  -9.030
 1012   2HB   ARG 137           HB2      ARG 137  16.792 -10.442 -10.442
 1013   1HG   ARG 137           HG1      ARG 137  18.096  -7.990  -7.990
 1014   2HG   ARG 137           HG2      ARG 137  18.080  -9.598  -9.598
 1015   1HD   ARG 137           HD2      ARG 137  15.711  -9.064  -9.064
 1016   2HD   ARG 137           HD1      ARG 137  16.063  -7.396  -7.396
 1017    HE   ARG 137           HE       ARG 137  18.123  -8.147  -8.147
 1018   1HH1  ARG 137          HH11      ARG 137  14.656  -7.994  -7.994
 1019   2HH1  ARG 137          HH12      ARG 137  14.667  -7.709  -7.709
 1020   1HH2  ARG 137          HH21      ARG 137  18.150  -7.772  -7.772
 1021   2HH2  ARG 137          HH22      ARG 137  16.653  -7.584  -7.584
 1022    H    ASP 138           HN       ASP 138  15.804 -10.721 -10.721
 1023    HA   ASP 138           HA       ASP 138  13.542 -12.396 -12.396
 1024   1HB   ASP 138           HB2      ASP 138  12.745 -10.420 -10.420
 1025   2HB   ASP 138           HB1      ASP 138  12.271 -12.064 -12.064
 1026    H    ALA 139           HN       ALA 139  13.480 -13.742 -13.742
 1027    HA   ALA 139           HA       ALA 139  15.486 -15.597 -15.597
 1028   1HB   ALA 139           HB2      ALA 139  13.355 -15.202 -15.202
 1029   2HB   ALA 139           HB1      ALA 139  14.767 -15.267 -15.267
 1030   3HB   ALA 139           HB3      ALA 139  14.427 -16.603 -16.603
 1031    H    SER 140           HN       SER 140  15.647 -12.466 -12.466
 1032    HA   SER 140           HA       SER 140  17.840 -12.707 -12.707
 1033   1HB   SER 140           HB2      SER 140  16.265 -10.598 -10.598
 1034   2HB   SER 140           HB1      SER 140  17.971 -10.151 -10.151
 1035    HG   SER 140           HG       SER 140  17.953 -10.530 -10.530
 1036    H    GLY 141           HN       GLY 141  17.689 -11.656 -11.656
 1037   1HA   GLY 141           HA1      GLY 141  19.231 -12.085 -12.085
 1038   2HA   GLY 141           HA2      GLY 141  20.286 -12.840 -12.840
 1039    H    LEU 142           HN       LEU 142  19.051  -9.710  -9.710
 1040    HA   LEU 142           HA       LEU 142  21.718  -8.588  -8.588
 1041   1HB   LEU 142           HB2      LEU 142  19.581  -7.706  -7.706
 1042   2HB   LEU 142           HB1      LEU 142  21.097  -6.868  -6.868
 1043    HG   LEU 142           HG       LEU 142  21.533  -9.666  -9.666
 1044   1HD1  LEU 142          HD13      LEU 142  19.358  -9.250  -9.250
 1045   2HD1  LEU 142          HD12      LEU 142  20.208  -8.039  -8.039
 1046   3HD1  LEU 142          HD11      LEU 142  20.711  -9.729  -9.729
 1047   1HD2  LEU 142          HD22      LEU 142  23.023  -7.506  -7.506
 1048   2HD2  LEU 142          HD21      LEU 142  23.244  -8.828  -8.828
 1049   3HD2  LEU 142          HD23      LEU 142  22.337  -7.390  -7.390
 1050    H    THR 143           HN       THR 143  19.202  -6.363  -6.363
 1051    HA   THR 143           HA       THR 143  17.918  -5.787  -5.787
 1052    HB   THR 143           HB       THR 143  19.720  -3.904  -3.904
 1053    HG1  THR 143           HG1      THR 143  21.733  -4.931  -4.931
 1054   1HG2  THR 143          HG23      THR 143  18.613  -6.211  -6.211
 1055   2HG2  THR 143          HG22      THR 143  20.352  -6.340  -6.340
 1056   3HG2  THR 143          HG21      THR 143  19.475  -4.921  -4.921
 1057    HA   PRO 144           HA       PRO 144  16.382  -2.202  -2.202
 1058   1HB   PRO 144           HB2      PRO 144  17.114  -0.166  -0.166
 1059   2HB   PRO 144           HB1      PRO 144  15.572  -1.019  -1.019
 1060   1HG   PRO 144           HG2      PRO 144  17.899  -1.479  -1.479
 1061   2HG   PRO 144           HG1      PRO 144  16.174  -1.760  -1.760
 1062   1HD   PRO 144           HD2      PRO 144  17.879  -3.787  -3.787
 1063   2HD   PRO 144           HD1      PRO 144  16.203  -3.830  -3.830
 1064    H    LEU 145           HN       LEU 145  19.366  -1.154  -1.154
 1065    HA   LEU 145           HA       LEU 145  20.142   0.613   0.613
 1066   1HB   LEU 145           HB1      LEU 145  21.148   1.173   1.173
 1067   2HB   LEU 145           HB2      LEU 145  21.412  -0.496  -0.496
 1068    HG   LEU 145           HG       LEU 145  23.361  -0.673  -0.673
 1069   1HD1  LEU 145          HD22      LEU 145  22.100   1.436   1.436
 1070   2HD1  LEU 145          HD21      LEU 145  23.807   1.759   1.759
 1071   3HD1  LEU 145          HD23      LEU 145  23.320   0.258   0.258
 1072   1HD2  LEU 145          HD12      LEU 145  23.175   1.946   1.946
 1073   2HD2  LEU 145          HD11      LEU 145  23.933   0.443   0.443
 1074   3HD2  LEU 145          HD13      LEU 145  24.675   1.407   1.407
 1075    H    GLU 146           HN       GLU 146  21.122  -2.697  -2.697
 1076    HA   GLU 146           HA       GLU 146  23.119  -3.035  -3.035
 1077   1HB   GLU 146           HB1      GLU 146  21.196  -4.961  -4.961
 1078   2HB   GLU 146           HB2      GLU 146  22.371  -5.505  -5.505
 1079   1HG   GLU 146           HG2      GLU 146  23.618  -5.860  -5.860
 1080   2HG   GLU 146           HG1      GLU 146  24.004  -4.153  -4.153
 1081    H    LEU 147           HN       LEU 147  19.641  -3.765  -3.765
 1082    HA   LEU 147           HA       LEU 147  19.614  -4.689  -4.689
 1083   1HB   LEU 147           HB2      LEU 147  17.708  -4.059  -4.059
 1084   2HB   LEU 147           HB1      LEU 147  17.347  -2.956  -2.956
 1085    HG   LEU 147           HG       LEU 147  17.497  -5.965  -5.965
 1086   1HD1  LEU 147          HD12      LEU 147  15.368  -4.128  -4.128
 1087   2HD1  LEU 147          HD11      LEU 147  14.985  -5.075  -5.075
 1088   3HD1  LEU 147          HD13      LEU 147  15.405  -5.890  -5.890
 1089   1HD2  LEU 147          HD22      LEU 147  17.379  -3.804  -3.804
 1090   2HD2  LEU 147          HD21      LEU 147  18.038  -5.436  -5.436
 1091   3HD2  LEU 147          HD23      LEU 147  16.298  -5.174  -5.174
 1092    H    ALA 148           HN       ALA 148  19.451  -1.369  -1.369
 1093    HA   ALA 148           HA       ALA 148  18.991  -0.021  -0.021
 1094   1HB   ALA 148           HB2      ALA 148  19.778   0.659   0.659
 1095   2HB   ALA 148           HB1      ALA 148  20.895   1.457   1.457
 1096   3HB   ALA 148           HB3      ALA 148  19.159   1.723   1.723
 1097    H    ARG 149           HN       ARG 149  21.962  -1.392  -1.392
 1098    HA   ARG 149           HA       ARG 149  23.763  -0.256  -0.256
 1099   1HB   ARG 149           HB2      ARG 149  23.932  -2.023  -2.023
 1100   2HB   ARG 149           HB1      ARG 149  24.450  -2.981  -2.981
 1101   1HG   ARG 149           HG1      ARG 149  25.678  -0.384  -0.384
 1102   2HG   ARG 149           HG2      ARG 149  25.969  -1.168  -1.168
 1103   1HD   ARG 149           HD1      ARG 149  27.714  -1.684  -1.684
 1104   2HD   ARG 149           HD2      ARG 149  26.856  -3.123  -3.123
 1105    HE   ARG 149           HE       ARG 149  25.500  -2.486  -2.486
 1106   1HH1  ARG 149          HH21      ARG 149  28.911  -2.783  -2.783
 1107   2HH1  ARG 149          HH22      ARG 149  29.298  -3.285  -3.285
 1108   1HH2  ARG 149          HH11      ARG 149  25.998  -3.148  -3.148
 1109   2HH2  ARG 149          HH12      ARG 149  27.642  -3.492  -3.492
 1110    H    GLN 150           HN       GLN 150  21.655  -3.046  -3.046
 1111    HA   GLN 150           HA       GLN 150  22.663  -4.196  -4.196
 1112   1HB   GLN 150           HB2      GLN 150  20.754  -4.884  -4.884
 1113   2HB   GLN 150           HB1      GLN 150  19.782  -4.513  -4.513
 1114   1HG   GLN 150           HG2      GLN 150  20.293  -6.445  -6.445
 1115   2HG   GLN 150           HG1      GLN 150  22.020  -6.135  -6.135
 1116   1HE2  GLN 150          HE22      GLN 150  22.386  -8.610  -8.610
 1117   2HE2  GLN 150          HE21      GLN 150  23.026  -7.671  -7.671
 1118    H    ARG 151           HN       ARG 151  19.479  -2.666  -2.666
 1119    HA   ARG 151           HA       ARG 151  19.413  -1.869  -1.869
 1120   1HB   ARG 151           HB2      ARG 151  17.580  -0.721  -0.721
 1121   2HB   ARG 151           HB1      ARG 151  17.226  -1.187  -1.187
 1122   1HG   ARG 151           HG1      ARG 151  17.651  -3.026  -3.026
 1123   2HG   ARG 151           HG2      ARG 151  16.131  -2.694  -2.694
 1124   1HD   ARG 151           HD1      ARG 151  18.551  -3.977  -3.977
 1125   2HD   ARG 151           HD2      ARG 151  17.138  -4.847  -4.847
 1126    HE   ARG 151           HE       ARG 151  16.458  -2.830  -2.830
 1127   1HH1  ARG 151          HH21      ARG 151  17.616  -6.094  -6.094
 1128   2HH1  ARG 151          HH22      ARG 151  17.037  -6.613  -6.613
 1129   1HH2  ARG 151          HH11      ARG 151  15.691  -3.505  -3.505
 1130   2HH2  ARG 151          HH12      ARG 151  15.944  -5.142  -5.142
 1131    H    GLY 152           HN       GLY 152  21.538  -0.724  -0.724
 1132   1HA   GLY 152           HA1      GLY 152  21.828   1.604   1.604
 1133   2HA   GLY 152           HA2      GLY 152  22.782   1.187   1.187
 1134    H    ALA 153           HN       ALA 153  19.363   2.059   2.059
 1135    HA   ALA 153           HA       ALA 153  19.109   3.489   3.489
 1136   1HB   ALA 153           HB3      ALA 153  17.403   2.753   2.753
 1137   2HB   ALA 153           HB2      ALA 153  17.476   4.503   4.503
 1138   3HB   ALA 153           HB1      ALA 153  16.990   3.821   3.821
 1139    H    GLN 154           HN       GLN 154  20.751   4.274   4.274
 1140    HA   GLN 154           HA       GLN 154  22.313   6.025   6.025
 1141   1HB   GLN 154           HB1      GLN 154  21.682   6.794   6.794
 1142   2HB   GLN 154           HB2      GLN 154  20.381   7.723   7.723
 1143   1HG   GLN 154           HG2      GLN 154  22.504   8.976   8.976
 1144   2HG   GLN 154           HG1      GLN 154  21.875   9.149   9.149
 1145   1HE2  GLN 154          HE22      GLN 154  24.990   6.535   6.535
 1146   2HE2  GLN 154          HE21      GLN 154  23.603   6.377   6.377
 1147    H    ASN 155           HN       ASN 155  18.931   7.181   7.181
 1148    HA   ASN 155           HA       ASN 155  19.326   8.769   8.769
 1149   1HB   ASN 155           HB1      ASN 155  16.621   7.878   7.878
 1150   2HB   ASN 155           HB2      ASN 155  17.091   9.412   9.412
 1151   1HD2  ASN 155          HD22      ASN 155  16.852   9.112   9.112
 1152   2HD2  ASN 155          HD21      ASN 155  16.143   8.027   8.027
 1153    H    LEU 156           HN       LEU 156  17.448   5.791   5.791
 1154    HA   LEU 156           HA       LEU 156  16.602   5.352   5.352
 1155   1HB   LEU 156           HB1      LEU 156  16.636   2.883   2.883
 1156   2HB   LEU 156           HB2      LEU 156  15.642   3.981   3.981
 1157    HG   LEU 156           HG       LEU 156  16.968   3.811   3.811
 1158   1HD1  LEU 156          HD22      LEU 156  19.215   3.079   3.079
 1159   2HD1  LEU 156          HD21      LEU 156  19.330   2.930   2.930
 1160   3HD1  LEU 156          HD23      LEU 156  19.060   4.511   4.511
 1161   1HD2  LEU 156          HD11      LEU 156  15.993   1.581   1.581
 1162   2HD2  LEU 156          HD13      LEU 156  17.267   1.534   1.534
 1163   3HD2  LEU 156          HD12      LEU 156  17.641   1.155   1.155
 1164    H    MET 157           HN       MET 157  19.807   5.184   5.184
 1165    HA   MET 157           HA       MET 157  20.786   3.256   3.256
 1166   1HB   MET 157           HB2      MET 157  22.005   5.196   5.196
 1167   2HB   MET 157           HB1      MET 157  23.018   4.428   4.428
 1168   1HG   MET 157           HG1      MET 157  22.423   2.242   2.242
 1169   2HG   MET 157           HG2      MET 157  21.294   2.957   2.957
 1170   1HE   MET 157           HE1      MET 157  24.344   1.622   1.622
 1171   2HE   MET 157           HE3      MET 157  24.880   1.259   1.259
 1172   3HE   MET 157           HE2      MET 157  25.668   2.538   2.538
 1173    H    ASP 158           HN       ASP 158  21.325   6.773   6.773
 1174    HA   ASP 158           HA       ASP 158  22.406   6.899   6.899
 1175   1HB   ASP 158           HB2      ASP 158  21.399   9.353   9.353
 1176   2HB   ASP 158           HB1      ASP 158  22.733   8.475   8.475
 1177    H    ILE 159           HN       ILE 159  19.212   7.352   7.352
 1178    HA   ILE 159           HA       ILE 159  18.001   8.864   8.864
 1179    HB   ILE 159           HB       ILE 159  16.893   6.554   6.554
 1180   1HG1  ILE 159          HG12      ILE 159  16.349   9.483   9.483
 1181   2HG1  ILE 159          HG11      ILE 159  17.781   8.729   8.729
 1182   1HG2  ILE 159          HG23      ILE 159  15.759   7.749   7.749
 1183   2HG2  ILE 159          HG22      ILE 159  14.944   8.476   8.476
 1184   3HG2  ILE 159          HG21      ILE 159  14.957   6.723   6.723
 1185   1HD1  ILE 159          HD11      ILE 159  15.772   7.022   7.022
 1186   2HD1  ILE 159          HD13      ILE 159  15.008   8.608   8.608
 1187   3HD1  ILE 159          HD12      ILE 159  16.488   8.284   8.284
 1188    H    LEU 160           HN       LEU 160  18.181   5.296   5.296
 1189    HA   LEU 160           HA       LEU 160  17.095   5.016   5.016
 1190   1HB   LEU 160           HB2      LEU 160  18.671   2.862   2.862
 1191   2HB   LEU 160           HB1      LEU 160  17.247   2.731   2.731
 1192    HG   LEU 160           HG       LEU 160  17.457   3.326   3.326
 1193   1HD1  LEU 160          HD12      LEU 160  16.511   1.226   1.226
 1194   2HD1  LEU 160          HD11      LEU 160  15.083   1.986   1.986
 1195   3HD1  LEU 160          HD13      LEU 160  16.374   1.397   1.397
 1196   1HD2  LEU 160          HD22      LEU 160  15.560   4.615   4.615
 1197   2HD2  LEU 160          HD21      LEU 160  16.228   5.195   5.195
 1198   3HD2  LEU 160          HD23      LEU 160  14.921   4.009   4.009
 1199    H    GLN 161           HN       GLN 161  20.317   5.232   5.232
 1200    HA   GLN 161           HA       GLN 161  21.751   4.209   4.209
 1201   1HB   GLN 161           HB2      GLN 161  22.331   5.675   5.675
 1202   2HB   GLN 161           HB1      GLN 161  23.373   6.161   6.161
 1203   1HG   GLN 161           HG1      GLN 161  22.953   3.282   3.282
 1204   2HG   GLN 161           HG2      GLN 161  24.175   4.274   4.274
 1205   1HE2  GLN 161          HE22      GLN 161  26.395   3.229   3.229
 1206   2HE2  GLN 161          HE21      GLN 161  25.951   3.248   3.248
 1207    H    GLY 162           HN       GLY 162  20.661   7.492   7.492
 1208   1HA   GLY 162           HA2      GLY 162  21.909   8.684   8.684
 1209   2HA   GLY 162           HA1      GLY 162  20.691   9.428   9.428
 1210    H    HIS 163           HN       HIS 163  18.699   7.389   7.389
 1211    HA   HIS 163           HA       HIS 163  17.506   8.366   8.366
 1212   1HB   HIS 163           HB2      HIS 163  16.756   6.399   6.399
 1213   2HB   HIS 163           HB1      HIS 163  15.892   6.334   6.334
 1214    HD2  HIS 163           HD2      HIS 163  14.974   7.588   7.588
 1215    HE1  HIS 163           HE1      HIS 163  14.085  10.867  10.867
 1216    HE2  HIS 163           HE2      HIS 163  13.849   9.919   9.919
 1217    H    MET 164           HN       MET 164  19.314   5.494   5.494
 1218    HA   MET 164           HA       MET 164  18.634   3.886   3.886
 1219   1HB   MET 164           HB1      MET 164  20.030   3.380   3.380
 1220   2HB   MET 164           HB2      MET 164  21.394   3.825   3.825
 1221   1HG   MET 164           HG2      MET 164  20.077   2.095   2.095
 1222   2HG   MET 164           HG1      MET 164  19.715   1.425   1.425
 1223   1HE   MET 164           HE2      MET 164  21.098   0.160   0.160
 1224   2HE   MET 164           HE1      MET 164  22.652  -0.530  -0.530
 1225   3HE   MET 164           HE3      MET 164  21.207  -0.895  -0.895
 1226    H    MET 165           HN       MET 165  18.573   5.202   5.202
 1227    HA   MET 165           HA       MET 165  20.773   6.753   6.753
 1228   1HB   MET 165           HB1      MET 165  19.559   6.800   6.800
 1229   2HB   MET 165           HB2      MET 165  18.555   7.254   7.254
 1230   1HG   MET 165           HG2      MET 165  18.087   4.587   4.587
 1231   2HG   MET 165           HG1      MET 165  18.335   4.980   4.980
 1232   1HE   MET 165           HE1      MET 165  16.446   4.924   4.924
 1233   2HE   MET 165           HE3      MET 165  14.827   5.509   5.509
 1234   3HE   MET 165           HE2      MET 165  15.447   4.055   4.055
 1235    H    ILE 166           HN       ILE 166  21.819   6.329   6.329
 1236    HA   ILE 166           HA       ILE 166  22.382   3.478   3.478
 1237    HB   ILE 166           HB       ILE 166  24.803   4.863   4.863
 1238   1HG1  ILE 166          HG12      ILE 166  23.849   6.567   6.567
 1239   2HG1  ILE 166          HG11      ILE 166  25.366   5.839   5.839
 1240   1HG2  ILE 166          HG23      ILE 166  23.853   2.517   2.517
 1241   2HG2  ILE 166          HG22      ILE 166  24.940   3.324   3.324
 1242   3HG2  ILE 166          HG21      ILE 166  25.502   2.908   2.908
 1243   1HD1  ILE 166          HD11      ILE 166  23.434   4.207   4.207
 1244   2HD1  ILE 166          HD13      ILE 166  22.777   5.835   5.835
 1245   3HD1  ILE 166          HD12      ILE 166  24.367   5.455   5.455
 1246    HA   PRO 167           HA       PRO 167  21.239   5.004   5.004
 1247   1HB   PRO 167           HB1      PRO 167  22.071   2.197   2.197
 1248   2HB   PRO 167           HB2      PRO 167  20.624   3.069   3.069
 1249   1HG   PRO 167           HG2      PRO 167  20.492   1.260   1.260
 1250   2HG   PRO 167           HG1      PRO 167  19.551   2.761   2.761
 1251   1HD   PRO 167           HD1      PRO 167  22.038   1.995   1.995
 1252   2HD   PRO 167           HD2      PRO 167  20.663   2.973   2.973
 1253    H    MET 168           HN       MET 168  22.810   6.348   6.348
 1254    HA   MET 168           HA       MET 168  25.200   5.108   5.108
 1255   1HB   MET 168           HB2      MET 168  25.122   7.250   7.250
 1256   2HB   MET 168           HB1      MET 168  26.376   7.320   7.320
 1257   1HG   MET 168           HG1      MET 168  27.024   5.001   5.001
 1258   2HG   MET 168           HG2      MET 168  25.868   5.089   5.089
 1259   1HE   MET 168           HE3      MET 168  28.955   4.656   4.656
 1260   2HE   MET 168           HE2      MET 168  29.229   4.709   4.709
 1261   3HE   MET 168           HE1      MET 168  30.055   5.853   5.853

  Start of MODEL   14
    1   1H    GLY   1           HT3      GLY   1 -34.775 -12.860 -12.860
    2   2H    GLY   1           HT2      GLY   1 -35.153 -14.154 -14.154
    3   3H    GLY   1           HT1      GLY   1 -33.546 -13.868 -13.868
    4   1HA   GLY   1           HA1      GLY   1 -34.275 -15.693 -15.693
    5   2HA   GLY   1           HA2      GLY   1 -35.755 -14.847 -14.847
    6    H    SER   2           HN       SER   2 -32.271 -14.080 -14.080
    7    HA   SER   2           HA       SER   2 -32.609 -13.380 -13.380
    8   1HB   SER   2           HB1      SER   2 -31.156 -11.485 -11.485
    9   2HB   SER   2           HB2      SER   2 -32.384 -11.369 -11.369
   10    HG   SER   2           HG       SER   2 -30.459 -12.748 -12.748
   11    H    MET   3           HN       MET   3 -31.638 -15.020 -15.020
   12    HA   MET   3           HA       MET   3 -28.813 -15.501 -15.501
   13   1HB   MET   3           HB2      MET   3 -29.294 -18.000 -18.000
   14   2HB   MET   3           HB1      MET   3 -29.700 -17.302 -17.302
   15   1HG   MET   3           HG2      MET   3 -31.783 -17.996 -17.996
   16   2HG   MET   3           HG1      MET   3 -31.960 -17.030 -17.030
   17   1HE   MET   3           HE1      MET   3 -31.069 -20.224 -20.224
   18   2HE   MET   3           HE3      MET   3 -32.672 -20.659 -20.659
   19   3HE   MET   3           HE2      MET   3 -31.246 -21.484 -21.484
   20    H    LEU   4           HN       LEU   4 -29.370 -13.994 -13.994
   21    HA   LEU   4           HA       LEU   4 -29.830 -15.567 -15.567
   22   1HB   LEU   4           HB1      LEU   4 -29.260 -12.629 -12.629
   23   2HB   LEU   4           HB2      LEU   4 -29.581 -13.379 -13.379
   24    HG   LEU   4           HG       LEU   4 -31.576 -13.602 -13.602
   25   1HD1  LEU   4          HD23      LEU   4 -31.237 -11.288 -11.288
   26   2HD1  LEU   4          HD22      LEU   4 -32.694 -11.597 -11.597
   27   3HD1  LEU   4          HD21      LEU   4 -31.172 -11.244 -11.244
   28   1HD2  LEU   4          HD12      LEU   4 -31.703 -14.961 -14.961
   29   2HD2  LEU   4          HD11      LEU   4 -33.126 -13.994 -13.994
   30   3HD2  LEU   4          HD13      LEU   4 -31.993 -13.441 -13.441
   31    H    LEU   5           HN       LEU   5 -27.232 -13.505 -13.505
   32    HA   LEU   5           HA       LEU   5 -24.974 -13.550 -13.550
   33   1HB   LEU   5           HB2      LEU   5 -25.794 -16.250 -16.250
   34   2HB   LEU   5           HB1      LEU   5 -24.639 -16.025 -16.025
   35    HG   LEU   5           HG       LEU   5 -22.948 -15.282 -15.282
   36   1HD1  LEU   5          HD22      LEU   5 -25.217 -15.278 -15.278
   37   2HD1  LEU   5          HD21      LEU   5 -23.556 -15.483 -15.483
   38   3HD1  LEU   5          HD23      LEU   5 -24.017 -14.025 -14.025
   39   1HD2  LEU   5          HD13      LEU   5 -23.933 -17.835 -17.835
   40   2HD2  LEU   5          HD12      LEU   5 -22.410 -17.362 -17.362
   41   3HD2  LEU   5          HD11      LEU   5 -23.861 -17.544 -17.544
   42    H    GLU   6           HN       GLU   6 -23.264 -13.594 -13.594
   43    HA   GLU   6           HA       GLU   6 -22.486 -12.950 -12.950
   44   1HB   GLU   6           HB2      GLU   6 -23.629 -15.097 -15.097
   45   2HB   GLU   6           HB1      GLU   6 -25.022 -14.131 -14.131
   46   1HG   GLU   6           HG1      GLU   6 -22.637 -14.699 -14.699
   47   2HG   GLU   6           HG2      GLU   6 -24.119 -13.905 -13.905
   48    H    GLU   7           HN       GLU   7 -22.659 -11.265 -11.265
   49    HA   GLU   7           HA       GLU   7 -24.900  -9.823  -9.823
   50   1HB   GLU   7           HB2      GLU   7 -24.000  -9.262  -9.262
   51   2HB   GLU   7           HB1      GLU   7 -24.067  -7.821  -7.821
   52   1HG   GLU   7           HG2      GLU   7 -26.437  -9.178  -9.178
   53   2HG   GLU   7           HG1      GLU   7 -26.204  -9.326  -9.326
   54    H    VAL   8           HN       VAL   8 -23.924  -9.373  -9.373
   55    HA   VAL   8           HA       VAL   8 -21.451  -7.768  -7.768
   56    HB   VAL   8           HB       VAL   8 -20.790  -8.674  -8.674
   57   1HG1  VAL   8          HG21      VAL   8 -20.331  -9.953  -9.953
   58   2HG1  VAL   8          HG23      VAL   8 -21.663 -11.016 -11.016
   59   3HG1  VAL   8          HG22      VAL   8 -20.245 -10.890 -10.890
   60   1HG2  VAL   8          HG12      VAL   8 -23.565  -9.410  -9.410
   61   2HG2  VAL   8          HG11      VAL   8 -22.345  -9.340  -9.340
   62   3HG2  VAL   8          HG13      VAL   8 -22.535 -10.807 -10.807
   63    H    CYS   9           HN       CYS   9 -24.716  -7.803  -7.803
   64    HA   CYS   9           HA       CYS   9 -25.143  -6.464  -6.464
   65   1HB   CYS   9           HB2      CYS   9 -27.054  -5.394  -5.394
   66   2HB   CYS   9           HB1      CYS   9 -26.872  -6.983  -6.983
   67    HG   CYS   9           HG       CYS   9 -27.357  -5.165  -5.165
   68    H    VAL  10           HN       VAL  10 -23.745  -5.075  -5.075
   69    HA   VAL  10           HA       VAL  10 -23.270  -2.557  -2.557
   70    HB   VAL  10           HB       VAL  10 -24.481  -2.334  -2.334
   71   1HG1  VAL  10          HG22      VAL  10 -22.509  -4.186  -4.186
   72   2HG1  VAL  10          HG21      VAL  10 -22.382  -2.716  -2.716
   73   3HG1  VAL  10          HG23      VAL  10 -23.920  -3.574  -3.574
   74   1HG2  VAL  10          HG11      VAL  10 -22.900  -0.582  -0.582
   75   2HG2  VAL  10          HG13      VAL  10 -23.229  -0.508  -0.508
   76   3HG2  VAL  10          HG12      VAL  10 -21.710  -1.191  -1.191
   77    H    GLY  11           HN       GLY  11 -21.766  -5.358  -5.358
   78   1HA   GLY  11           HA1      GLY  11 -19.256  -4.614  -4.614
   79   2HA   GLY  11           HA2      GLY  11 -19.579  -6.063  -6.063
   80    H    ASP  12           HN       ASP  12 -20.134  -5.338  -5.338
   81    HA   ASP  12           HA       ASP  12 -17.666  -4.151  -4.151
   82   1HB   ASP  12           HB2      ASP  12 -19.961  -5.128  -5.128
   83   2HB   ASP  12           HB1      ASP  12 -18.764  -6.216  -6.216
   84    H    ARG  13           HN       ARG  13 -18.813  -2.157  -2.157
   85    HA   ARG  13           HA       ARG  13 -19.920  -0.471  -0.471
   86   1HB   ARG  13           HB1      ARG  13 -21.666  -1.094  -1.094
   87   2HB   ARG  13           HB2      ARG  13 -20.696  -0.351  -0.351
   88   1HG   ARG  13           HG1      ARG  13 -21.786   1.535   1.535
   89   2HG   ARG  13           HG2      ARG  13 -20.933   1.618   1.618
   90   1HD   ARG  13           HD2      ARG  13 -23.268   1.832   1.832
   91   2HD   ARG  13           HD1      ARG  13 -22.755   0.239   0.239
   92    HE   ARG  13           HE       ARG  13 -24.219  -0.674  -0.674
   93   1HH1  ARG  13          HH21      ARG  13 -23.452   2.556   2.556
   94   2HH1  ARG  13          HH22      ARG  13 -24.578   2.535   2.535
   95   1HH2  ARG  13          HH11      ARG  13 -25.709  -0.712  -0.712
   96   2HH2  ARG  13          HH12      ARG  13 -25.861   0.675   0.675
   97    H    LEU  14           HN       LEU  14 -18.726  -0.062  -0.062
   98    HA   LEU  14           HA       LEU  14 -17.543   2.454   2.454
   99   1HB   LEU  14           HB1      LEU  14 -18.180   1.955   1.955
  100   2HB   LEU  14           HB2      LEU  14 -17.232   0.481   0.481
  101    HG   LEU  14           HG       LEU  14 -15.170   1.939   1.939
  102   1HD1  LEU  14          HD22      LEU  14 -17.286   4.014   4.014
  103   2HD1  LEU  14          HD21      LEU  14 -15.753   4.298   4.298
  104   3HD1  LEU  14          HD23      LEU  14 -15.780   4.018   4.018
  105   1HD2  LEU  14          HD12      LEU  14 -16.980   1.892   1.892
  106   2HD2  LEU  14          HD11      LEU  14 -15.467   1.028   1.028
  107   3HD2  LEU  14          HD13      LEU  14 -15.444   2.757   2.757
  108    H    SER  15           HN       SER  15 -16.341  -0.838  -0.838
  109    HA   SER  15           HA       SER  15 -13.591  -0.284  -0.284
  110   1HB   SER  15           HB1      SER  15 -13.761  -2.524  -2.524
  111   2HB   SER  15           HB2      SER  15 -15.324  -2.582  -2.582
  112    HG   SER  15           HG       SER  15 -14.247  -2.540  -2.540
  113    H    GLY  16           HN       GLY  16 -16.020  -0.440  -0.440
  114   1HA   GLY  16           HA1      GLY  16 -14.200  -0.224  -0.224
  115   2HA   GLY  16           HA2      GLY  16 -15.924   0.112   0.112
  116    H    ALA  17           HN       ALA  17 -15.776   2.151   2.151
  117    HA   ALA  17           HA       ALA  17 -15.202   4.388   4.388
  118   1HB   ALA  17           HB3      ALA  17 -17.028   4.375   4.375
  119   2HB   ALA  17           HB2      ALA  17 -15.823   4.363   4.363
  120   3HB   ALA  17           HB1      ALA  17 -15.933   5.745   5.745
  121    H    ALA  18           HN       ALA  18 -13.855   3.416   3.416
  122    HA   ALA  18           HA       ALA  18 -11.776   5.246   5.246
  123   1HB   ALA  18           HB3      ALA  18 -12.509   2.818   2.818
  124   2HB   ALA  18           HB2      ALA  18 -10.761   2.979   2.979
  125   3HB   ALA  18           HB1      ALA  18 -11.700   4.263   4.263
  126    H    ALA  19           HN       ALA  19 -11.733   1.932   1.932
  127    HA   ALA  19           HA       ALA  19  -9.030   1.949   1.949
  128   1HB   ALA  19           HB2      ALA  19 -11.403   0.268   0.268
  129   2HB   ALA  19           HB1      ALA  19  -9.987   0.128   0.128
  130   3HB   ALA  19           HB3      ALA  19  -9.842  -0.183  -0.183
  131    H    ARG  20           HN       ARG  20 -11.921   3.196   3.196
  132    HA   ARG  20           HA       ARG  20 -10.867   3.434   3.434
  133   1HB   ARG  20           HB2      ARG  20 -13.307   4.305   4.305
  134   2HB   ARG  20           HB1      ARG  20 -12.839   5.283   5.283
  135   1HG   ARG  20           HG2      ARG  20 -13.026   3.456   3.456
  136   2HG   ARG  20           HG1      ARG  20 -13.114   2.296   2.296
  137   1HD   ARG  20           HD2      ARG  20 -15.228   3.757   3.757
  138   2HD   ARG  20           HD1      ARG  20 -15.201   4.111   4.111
  139    HE   ARG  20           HE       ARG  20 -16.078   1.715   1.715
  140   1HH1  ARG  20          HH11      ARG  20 -14.289   2.883   2.883
  141   2HH1  ARG  20          HH12      ARG  20 -14.689   1.528   1.528
  142   1HH2  ARG  20          HH21      ARG  20 -16.611  -0.076  -0.076
  143   2HH2  ARG  20          HH22      ARG  20 -16.009  -0.156  -0.156
  144    H    GLY  21           HN       GLY  21 -11.029   5.550   5.550
  145   1HA   GLY  21           HA2      GLY  21  -9.365   7.195   7.195
  146   2HA   GLY  21           HA1      GLY  21  -9.052   7.290   7.290
  147    H    ASP  22           HN       ASP  22 -11.542   8.003   8.003
  148    HA   ASP  22           HA       ASP  22 -12.115  10.488  10.488
  149   1HB   ASP  22           HB1      ASP  22 -13.808   8.338   8.338
  150   2HB   ASP  22           HB2      ASP  22 -14.509   9.219   9.219
  151    H    VAL  23           HN       VAL  23 -10.906  11.462  11.462
  152    HA   VAL  23           HA       VAL  23 -11.306  11.172  11.172
  153    HB   VAL  23           HB       VAL  23  -9.478  12.509  12.509
  154   1HG1  VAL  23          HG13      VAL  23 -10.627  13.533  13.533
  155   2HG1  VAL  23          HG12      VAL  23 -11.604  14.500  14.500
  156   3HG1  VAL  23          HG11      VAL  23  -9.863  14.765  14.765
  157   1HG2  VAL  23          HG21      VAL  23 -10.415  12.905  12.905
  158   2HG2  VAL  23          HG23      VAL  23  -9.457  14.221  14.221
  159   3HG2  VAL  23          HG22      VAL  23 -11.217  14.327  14.327
  160    H    GLN  24           HN       GLN  24 -13.350  12.626  12.626
  161    HA   GLN  24           HA       GLN  24 -14.852  14.270  14.270
  162   1HB   GLN  24           HB2      GLN  24 -14.999  13.489  13.489
  163   2HB   GLN  24           HB1      GLN  24 -16.540  13.874  13.874
  164   1HG   GLN  24           HG2      GLN  24 -15.936  16.070  16.070
  165   2HG   GLN  24           HG1      GLN  24 -14.213  15.727  15.727
  166   1HE2  GLN  24          HE22      GLN  24 -16.195  17.111  17.111
  167   2HE2  GLN  24          HE21      GLN  24 -16.758  17.144  17.144
  168    H    GLU  25           HN       GLU  25 -15.451  11.125  11.125
  169    HA   GLU  25           HA       GLU  25 -17.920  10.697  10.697
  170   1HB   GLU  25           HB2      GLU  25 -16.133   8.816   8.816
  171   2HB   GLU  25           HB1      GLU  25 -17.713   8.376   8.376
  172   1HG   GLU  25           HG1      GLU  25 -17.149  10.523  10.523
  173   2HG   GLU  25           HG2      GLU  25 -17.838   8.932   8.932
  174    H    VAL  26           HN       VAL  26 -14.589   9.983   9.983
  175    HA   VAL  26           HA       VAL  26 -14.817   7.862   7.862
  176    HB   VAL  26           HB       VAL  26 -12.716   9.243   9.243
  177   1HG1  VAL  26          HG12      VAL  26 -13.205  10.368  10.368
  178   2HG1  VAL  26          HG11      VAL  26 -11.705  10.526  10.526
  179   3HG1  VAL  26          HG13      VAL  26 -13.187  11.270  11.270
  180   1HG2  VAL  26          HG21      VAL  26 -13.182   7.366   7.366
  181   2HG2  VAL  26          HG23      VAL  26 -11.990   7.325   7.325
  182   3HG2  VAL  26          HG22      VAL  26 -11.682   8.280   8.280
  183    H    ARG  27           HN       ARG  27 -15.007  11.327  11.327
  184    HA   ARG  27           HA       ARG  27 -15.634  10.833  10.833
  185   1HB   ARG  27           HB1      ARG  27 -16.423  13.436  13.436
  186   2HB   ARG  27           HB2      ARG  27 -15.424  13.061  13.061
  187   1HG   ARG  27           HG1      ARG  27 -13.578  12.482  12.482
  188   2HG   ARG  27           HG2      ARG  27 -14.587  13.155  13.155
  189   1HD   ARG  27           HD2      ARG  27 -14.132  14.805  14.805
  190   2HD   ARG  27           HD1      ARG  27 -12.794  14.618  14.618
  191    HE   ARG  27           HE       ARG  27 -15.179  15.331  15.331
  192   1HH1  ARG  27          HH21      ARG  27 -12.651  16.631  16.631
  193   2HH1  ARG  27          HH22      ARG  27 -12.803  18.238  18.238
  194   1HH2  ARG  27          HH11      ARG  27 -15.389  17.444  17.444
  195   2HH2  ARG  27          HH12      ARG  27 -14.360  18.703  18.703
  196    H    ARG  28           HN       ARG  28 -17.544  11.715  11.715
  197    HA   ARG  28           HA       ARG  28 -20.002  12.050  12.050
  198   1HB   ARG  28           HB2      ARG  28 -19.498  11.191  11.191
  199   2HB   ARG  28           HB1      ARG  28 -21.020  11.802  11.802
  200   1HG   ARG  28           HG2      ARG  28 -18.687  13.541  13.541
  201   2HG   ARG  28           HG1      ARG  28 -19.188  13.319  13.319
  202   1HD   ARG  28           HD1      ARG  28 -21.497  13.937  13.937
  203   2HD   ARG  28           HD2      ARG  28 -20.898  14.284  14.284
  204    HE   ARG  28           HE       ARG  28 -19.349  15.765  15.765
  205   1HH1  ARG  28          HH11      ARG  28 -22.701  15.547  15.547
  206   2HH1  ARG  28          HH12      ARG  28 -23.033  17.215  17.215
  207   1HH2  ARG  28          HH21      ARG  28 -19.773  17.965  17.965
  208   2HH2  ARG  28          HH22      ARG  28 -21.367  18.590  18.590
  209    H    LEU  29           HN       LEU  29 -18.386   9.210   9.210
  210    HA   LEU  29           HA       LEU  29 -20.474   7.401   7.401
  211   1HB   LEU  29           HB2      LEU  29 -17.555   7.085   7.085
  212   2HB   LEU  29           HB1      LEU  29 -18.636   5.707   5.707
  213    HG   LEU  29           HG       LEU  29 -17.282   6.839   6.839
  214   1HD1  LEU  29          HD21      LEU  29 -18.674   4.466   4.466
  215   2HD1  LEU  29          HD23      LEU  29 -19.161   4.936   4.936
  216   3HD1  LEU  29          HD22      LEU  29 -17.455   4.692   4.692
  217   1HD2  LEU  29          HD11      LEU  29 -19.278   8.361   8.361
  218   2HD2  LEU  29          HD13      LEU  29 -18.988   7.373   7.373
  219   3HD2  LEU  29          HD12      LEU  29 -20.260   6.926   6.926
  220    H    LEU  30           HN       LEU  30 -18.119   7.462   7.462
  221    HA   LEU  30           HA       LEU  30 -19.872   6.105   6.105
  222   1HB   LEU  30           HB1      LEU  30 -17.585   7.717   7.717
  223   2HB   LEU  30           HB2      LEU  30 -18.141   6.131   6.131
  224    HG   LEU  30           HG       LEU  30 -16.219   5.534   5.534
  225   1HD1  LEU  30          HD21      LEU  30 -18.439   4.853   4.853
  226   2HD1  LEU  30          HD23      LEU  30 -17.556   5.688   5.688
  227   3HD1  LEU  30          HD22      LEU  30 -16.823   4.312   4.312
  228   1HD2  LEU  30          HD12      LEU  30 -16.557   8.098   8.098
  229   2HD2  LEU  30          HD11      LEU  30 -15.104   7.335   7.335
  230   3HD2  LEU  30          HD13      LEU  30 -15.733   6.844   6.844
  231    H    HIS  31           HN       HIS  31 -18.782   9.500   9.500
  232    HA   HIS  31           HA       HIS  31 -20.306  10.306  10.306
  233   1HB   HIS  31           HB1      HIS  31 -19.178  12.221  12.221
  234   2HB   HIS  31           HB2      HIS  31 -18.361  11.464  11.464
  235    HD2  HIS  31           HD2      HIS  31 -18.324  13.187  13.187
  236    HE1  HIS  31           HE1      HIS  31 -22.163  14.865  14.865
  237    HE2  HIS  31           HE2      HIS  31 -20.019  15.006  15.006
  238    H    ARG  32           HN       ARG  32 -21.158   9.888   9.888
  239    HA   ARG  32           HA       ARG  32 -23.802  11.041  11.041
  240   1HB   ARG  32           HB1      ARG  32 -22.001  11.676  11.676
  241   2HB   ARG  32           HB2      ARG  32 -23.421  10.916  10.916
  242   1HG   ARG  32           HG1      ARG  32 -23.738  13.097  13.097
  243   2HG   ARG  32           HG2      ARG  32 -23.368  13.477  13.477
  244   1HD   ARG  32           HD2      ARG  32 -25.635  13.487  13.487
  245   2HD   ARG  32           HD1      ARG  32 -25.362  11.767  11.767
  246    HE   ARG  32           HE       ARG  32 -25.706  12.441  12.441
  247   1HH1  ARG  32          HH11      ARG  32 -27.349  11.682  11.682
  248   2HH1  ARG  32          HH12      ARG  32 -28.781  11.105  11.105
  249   1HH2  ARG  32          HH21      ARG  32 -27.584  11.682  11.682
  250   2HH2  ARG  32          HH22      ARG  32 -28.915  11.106  11.106
  251    H    GLU  33           HN       GLU  33 -22.268   8.767   8.767
  252    HA   GLU  33           HA       GLU  33 -24.658   7.329   7.329
  253   1HB   GLU  33           HB2      GLU  33 -22.429   7.444   7.444
  254   2HB   GLU  33           HB1      GLU  33 -21.950   6.092   6.092
  255   1HG   GLU  33           HG2      GLU  33 -22.853   5.300   5.300
  256   2HG   GLU  33           HG1      GLU  33 -23.900   4.831   4.831
  257    H    LEU  34           HN       LEU  34 -22.749   7.441   7.441
  258    HA   LEU  34           HA       LEU  34 -22.387   6.047   6.047
  259   1HB   LEU  34           HB2      LEU  34 -25.077   4.866   4.866
  260   2HB   LEU  34           HB1      LEU  34 -24.334   5.636   5.636
  261    HG   LEU  34           HG       LEU  34 -25.356   7.174   7.174
  262   1HD1  LEU  34          HD11      LEU  34 -27.113   5.816   5.816
  263   2HD1  LEU  34          HD13      LEU  34 -26.791   6.860   6.860
  264   3HD1  LEU  34          HD12      LEU  34 -27.389   7.554   7.554
  265   1HD2  LEU  34          HD21      LEU  34 -24.322   7.892   7.892
  266   2HD2  LEU  34          HD23      LEU  34 -23.872   8.545   8.545
  267   3HD2  LEU  34          HD22      LEU  34 -25.428   8.965   8.965
  268    H    VAL  35           HN       VAL  35 -21.742   4.912   4.912
  269    HA   VAL  35           HA       VAL  35 -22.535   2.199   2.199
  270    HB   VAL  35           HB       VAL  35 -21.619   3.393   3.393
  271   1HG1  VAL  35          HG12      VAL  35 -19.129   3.429   3.429
  272   2HG1  VAL  35          HG11      VAL  35 -19.064   3.549   3.549
  273   3HG1  VAL  35          HG13      VAL  35 -19.930   4.768   4.768
  274   1HG2  VAL  35          HG22      VAL  35 -21.535   0.890   0.890
  275   2HG2  VAL  35          HG21      VAL  35 -20.371   1.583   1.583
  276   3HG2  VAL  35          HG23      VAL  35 -19.844   1.064   1.064
  277    H    HIS  36           HN       HIS  36 -21.402   0.317   0.317
  278    HA   HIS  36           HA       HIS  36 -20.035   0.418   0.418
  279   1HB   HIS  36           HB2      HIS  36 -20.991  -1.647  -1.647
  280   2HB   HIS  36           HB1      HIS  36 -19.508  -2.094  -2.094
  281    HD2  HIS  36           HD2      HIS  36 -23.252  -1.351  -1.351
  282    HE1  HIS  36           HE1      HIS  36 -21.401  -2.963  -2.963
  283    HE2  HIS  36           HE2      HIS  36 -23.613  -2.407  -2.407
  284    HA   PRO  37           HA       PRO  37 -15.933   1.182   1.182
  285   1HB   PRO  37           HB1      PRO  37 -14.606   0.703   0.703
  286   2HB   PRO  37           HB2      PRO  37 -15.551   2.171   2.171
  287   1HG   PRO  37           HG1      PRO  37 -16.305  -0.323  -0.323
  288   2HG   PRO  37           HG2      PRO  37 -16.572   1.370   1.370
  289   1HD   PRO  37           HD2      PRO  37 -18.511  -0.175  -0.175
  290   2HD   PRO  37           HD1      PRO  37 -18.416   1.576   1.576
  291    H    ASP  38           HN       ASP  38 -16.972  -1.795  -1.795
  292    HA   ASP  38           HA       ASP  38 -14.561  -3.183  -3.183
  293   1HB   ASP  38           HB1      ASP  38 -16.583  -4.813  -4.813
  294   2HB   ASP  38           HB2      ASP  38 -16.046  -3.446  -3.446
  295    H    ALA  39           HN       ALA  39 -16.940  -2.171  -2.171
  296    HA   ALA  39           HA       ALA  39 -18.404  -4.365  -4.365
  297   1HB   ALA  39           HB2      ALA  39 -18.372  -1.642  -1.642
  298   2HB   ALA  39           HB1      ALA  39 -17.904  -2.333  -2.333
  299   3HB   ALA  39           HB3      ALA  39 -19.417  -2.821  -2.821
  300    H    LEU  40           HN       LEU  40 -17.462  -6.147  -6.147
  301    HA   LEU  40           HA       LEU  40 -15.024  -5.962  -5.962
  302   1HB   LEU  40           HB2      LEU  40 -16.587  -8.408  -8.408
  303   2HB   LEU  40           HB1      LEU  40 -14.977  -8.390  -8.390
  304    HG   LEU  40           HG       LEU  40 -14.872  -6.757  -6.757
  305   1HD1  LEU  40          HD11      LEU  40 -16.566  -9.187  -9.187
  306   2HD1  LEU  40          HD13      LEU  40 -15.472  -8.713  -8.713
  307   3HD1  LEU  40          HD12      LEU  40 -16.720  -7.597  -7.597
  308   1HD2  LEU  40          HD22      LEU  40 -13.784  -9.402  -9.402
  309   2HD2  LEU  40          HD21      LEU  40 -12.941  -7.879  -7.879
  310   3HD2  LEU  40          HD23      LEU  40 -13.521  -8.836  -8.836
  311    H    ASN  41           HN       ASN  41 -14.819  -6.628  -6.628
  312    HA   ASN  41           HA       ASN  41 -17.199  -6.358  -6.358
  313   1HB   ASN  41           HB1      ASN  41 -15.654  -6.491  -6.491
  314   2HB   ASN  41           HB2      ASN  41 -15.111  -5.309  -5.309
  315   1HD2  ASN  41          HD22      ASN  41 -12.029  -6.912  -6.912
  316   2HD2  ASN  41          HD21      ASN  41 -13.078  -5.638  -5.638
  317    H    ARG  42           HN       ARG  42 -16.855  -7.976  -7.976
  318    HA   ARG  42           HA       ARG  42 -17.837 -10.470 -10.470
  319   1HB   ARG  42           HB1      ARG  42 -18.086  -9.098  -9.098
  320   2HB   ARG  42           HB2      ARG  42 -16.928 -10.335 -10.335
  321   1HG   ARG  42           HG1      ARG  42 -19.581 -10.903 -10.903
  322   2HG   ARG  42           HG2      ARG  42 -19.289 -10.943 -10.943
  323   1HD   ARG  42           HD2      ARG  42 -17.276 -12.498 -12.498
  324   2HD   ARG  42           HD1      ARG  42 -18.824 -12.979 -12.979
  325    HE   ARG  42           HE       ARG  42 -18.798 -12.803 -12.803
  326   1HH1  ARG  42          HH11      ARG  42 -18.276 -14.833 -14.833
  327   2HH1  ARG  42          HH12      ARG  42 -18.530 -16.311 -16.311
  328   1HH2  ARG  42          HH21      ARG  42 -19.135 -14.742 -14.742
  329   2HH2  ARG  42          HH22      ARG  42 -19.018 -16.258 -16.258
  330    H    PHE  43           HN       PHE  43 -15.620 -10.512 -10.512
  331    HA   PHE  43           HA       PHE  43 -14.216 -12.771 -12.771
  332   1HB   PHE  43           HB2      PHE  43 -13.158 -10.166 -10.166
  333   2HB   PHE  43           HB1      PHE  43 -11.998 -11.103 -11.103
  334    HD1  PHE  43           HD1      PHE  43 -11.781 -13.634 -13.634
  335    HD2  PHE  43           HD2      PHE  43 -13.187 -10.440 -10.440
  336    HE1  PHE  43           HE1      PHE  43 -11.198 -14.929 -14.929
  337    HE2  PHE  43           HE2      PHE  43 -12.606 -11.729 -11.729
  338    HZ   PHE  43           HZ       PHE  43 -11.608 -13.977 -13.977
  339    H    GLY  44           HN       GLY  44 -14.040  -9.901  -9.901
  340   1HA   GLY  44           HA1      GLY  44 -14.245 -10.302 -10.302
  341   2HA   GLY  44           HA2      GLY  44 -13.170 -11.676 -11.676
  342    H    LYS  45           HN       LYS  45 -13.159  -8.196  -8.196
  343    HA   LYS  45           HA       LYS  45 -10.606  -7.946  -7.946
  344   1HB   LYS  45           HB2      LYS  45 -10.954  -6.701  -6.701
  345   2HB   LYS  45           HB1      LYS  45  -9.472  -6.928  -6.928
  346   1HG   LYS  45           HG2      LYS  45  -9.541  -9.304  -9.304
  347   2HG   LYS  45           HG1      LYS  45 -11.108  -9.161  -9.161
  348   1HD   LYS  45           HD2      LYS  45  -9.553  -9.310  -9.310
  349   2HD   LYS  45           HD1      LYS  45  -9.937  -7.590  -7.590
  350   1HE   LYS  45           HE2      LYS  45  -7.882  -7.050  -7.050
  351   2HE   LYS  45           HE1      LYS  45  -7.630  -8.656  -8.656
  352   1HZ   LYS  45           HZ3      LYS  45  -7.623  -9.281  -9.281
  353   2HZ   LYS  45           HZ2      LYS  45  -7.096  -7.680  -7.680
  354   3HZ   LYS  45           HZ1      LYS  45  -6.220  -8.773  -8.773
  355    H    THR  46           HN       THR  46 -10.194  -5.911  -5.911
  356    HA   THR  46           HA       THR  46 -12.536  -4.232  -4.232
  357    HB   THR  46           HB       THR  46 -10.990  -2.955  -2.955
  358    HG1  THR  46           HG1      THR  46  -8.977  -3.471  -3.471
  359   1HG2  THR  46          HG23      THR  46 -12.139  -5.576  -5.576
  360   2HG2  THR  46          HG22      THR  46 -10.723  -5.336  -5.336
  361   3HG2  THR  46          HG21      THR  46 -12.075  -4.206  -4.206
  362    H    ALA  47           HN       ALA  47 -12.490  -1.927  -1.927
  363    HA   ALA  47           HA       ALA  47 -11.631  -1.129  -1.129
  364   1HB   ALA  47           HB2      ALA  47 -13.370  -0.065  -0.065
  365   2HB   ALA  47           HB1      ALA  47 -12.005   0.850   0.850
  366   3HB   ALA  47           HB3      ALA  47 -12.442   0.989   0.989
  367    H    LEU  48           HN       LEU  48  -9.911  -1.228  -1.228
  368    HA   LEU  48           HA       LEU  48  -7.878   0.651   0.651
  369   1HB   LEU  48           HB1      LEU  48  -8.485  -1.156  -1.156
  370   2HB   LEU  48           HB2      LEU  48  -6.770  -1.072  -1.072
  371    HG   LEU  48           HG       LEU  48  -8.504   1.344   1.344
  372   1HD1  LEU  48          HD11      LEU  48  -7.482  -0.594  -0.594
  373   2HD1  LEU  48          HD13      LEU  48  -6.640   0.937   0.937
  374   3HD1  LEU  48          HD12      LEU  48  -8.400   0.873   0.873
  375   1HD2  LEU  48          HD22      LEU  48  -6.391   1.599   1.599
  376   2HD2  LEU  48          HD21      LEU  48  -6.496   2.580   2.580
  377   3HD2  LEU  48          HD23      LEU  48  -5.508   1.119   1.119
  378    H    GLN  49           HN       GLN  49  -8.017  -2.904  -2.904
  379    HA   GLN  49           HA       GLN  49  -5.417  -3.313  -3.313
  380   1HB   GLN  49           HB1      GLN  49  -6.261  -5.231  -5.231
  381   2HB   GLN  49           HB2      GLN  49  -7.874  -4.973  -4.973
  382   1HG   GLN  49           HG2      GLN  49  -6.910  -6.903  -6.903
  383   2HG   GLN  49           HG1      GLN  49  -7.038  -5.616  -5.616
  384   1HE2  GLN  49          HE21      GLN  49  -4.780  -7.113  -7.113
  385   2HE2  GLN  49          HE22      GLN  49  -3.366  -6.845  -6.845
  386    H    VAL  50           HN       VAL  50  -8.445  -2.564  -2.564
  387    HA   VAL  50           HA       VAL  50  -7.351  -3.106  -3.106
  388    HB   VAL  50           HB       VAL  50  -9.613  -2.583  -2.583
  389   1HG1  VAL  50          HG12      VAL  50  -9.409  -4.622  -4.622
  390   2HG1  VAL  50          HG11      VAL  50 -10.777  -4.516  -4.516
  391   3HG1  VAL  50          HG13      VAL  50  -9.165  -4.871  -4.871
  392   1HG2  VAL  50          HG23      VAL  50  -9.959  -1.700  -1.700
  393   2HG2  VAL  50          HG22      VAL  50 -10.737  -1.132  -1.132
  394   3HG2  VAL  50          HG21      VAL  50 -11.309  -2.602  -2.602
  395    H    MET  51           HN       MET  51  -7.696  -0.556  -0.556
  396    HA   MET  51           HA       MET  51  -8.274   1.689   1.689
  397   1HB   MET  51           HB2      MET  51  -7.181   1.188   1.188
  398   2HB   MET  51           HB1      MET  51  -5.862   2.012   2.012
  399   1HG   MET  51           HG1      MET  51  -7.418   3.854   3.854
  400   2HG   MET  51           HG2      MET  51  -8.659   3.042   3.042
  401   1HE   MET  51           HE3      MET  51  -4.904   3.654   3.654
  402   2HE   MET  51           HE2      MET  51  -4.659   4.273   4.273
  403   3HE   MET  51           HE1      MET  51  -5.074   2.576   2.576
  404    H    MET  52           HN       MET  52  -7.000   3.274   3.274
  405    HA   MET  52           HA       MET  52  -4.771   2.068   2.068
  406   1HB   MET  52           HB1      MET  52  -5.384   3.316   3.316
  407   2HB   MET  52           HB2      MET  52  -6.927   2.831   2.831
  408   1HG   MET  52           HG1      MET  52  -7.493   4.971   4.971
  409   2HG   MET  52           HG2      MET  52  -6.445   5.226   5.226
  410   1HE   MET  52           HE1      MET  52  -7.529   6.810   6.810
  411   2HE   MET  52           HE3      MET  52  -6.743   7.917   7.917
  412   3HE   MET  52           HE2      MET  52  -6.194   7.823   7.823
  413    H    PHE  53           HN       PHE  53  -4.726   3.529   3.529
  414    HA   PHE  53           HA       PHE  53  -3.688   5.325   5.325
  415   1HB   PHE  53           HB2      PHE  53  -1.625   4.168   4.168
  416   2HB   PHE  53           HB1      PHE  53  -1.232   5.371   5.371
  417    HD1  PHE  53           HD1      PHE  53  -3.215   2.202   2.202
  418    HD2  PHE  53           HD2      PHE  53  -0.229   4.509   4.509
  419    HE1  PHE  53           HE1      PHE  53  -2.946   0.409   0.409
  420    HE2  PHE  53           HE2      PHE  53   0.044   2.719   2.719
  421    HZ   PHE  53           HZ       PHE  53  -1.315   0.667   0.667
  422    H    GLY  54           HN       GLY  54  -5.243   6.123   6.123
  423   1HA   GLY  54           HA1      GLY  54  -3.736   8.010   8.010
  424   2HA   GLY  54           HA2      GLY  54  -5.487   7.890   7.890
  425    H    SER  55           HN       SER  55  -6.619   8.994   8.994
  426    HA   SER  55           HA       SER  55  -5.399  11.502  11.502
  427   1HB   SER  55           HB1      SER  55  -8.114  10.371  10.371
  428   2HB   SER  55           HB2      SER  55  -7.599  12.036  12.036
  429    HG   SER  55           HG       SER  55  -7.439  12.312  12.312
  430    HA   PRO  56           HA       PRO  56  -3.551  10.073  10.073
  431   1HB   PRO  56           HB2      PRO  56  -3.772  12.990  12.990
  432   2HB   PRO  56           HB1      PRO  56  -2.380  11.914  11.914
  433   1HG   PRO  56           HG2      PRO  56  -2.543  13.631  13.631
  434   2HG   PRO  56           HG1      PRO  56  -1.892  11.999  11.999
  435   1HD   PRO  56           HD1      PRO  56  -4.551  13.114  13.114
  436   2HD   PRO  56           HD2      PRO  56  -3.545  11.916  11.916
  437    H    ALA  57           HN       ALA  57  -6.117  12.535  12.535
  438    HA   ALA  57           HA       ALA  57  -6.947  12.118  12.118
  439   1HB   ALA  57           HB2      ALA  57  -7.742  13.736  13.736
  440   2HB   ALA  57           HB1      ALA  57  -9.174  12.978  12.978
  441   3HB   ALA  57           HB3      ALA  57  -8.105  13.944  13.944
  442    H    VAL  58           HN       VAL  58  -7.686  10.411  10.411
  443    HA   VAL  58           HA       VAL  58 -10.051   9.149   9.149
  444    HB   VAL  58           HB       VAL  58  -7.953   8.526   8.526
  445   1HG1  VAL  58          HG11      VAL  58  -8.545   6.358   6.358
  446   2HG1  VAL  58          HG13      VAL  58 -10.254   6.708   6.708
  447   3HG1  VAL  58          HG12      VAL  58  -9.175   6.545   6.545
  448   1HG2  VAL  58          HG22      VAL  58  -9.758  10.210  10.210
  449   2HG2  VAL  58          HG21      VAL  58  -9.718   8.901   8.901
  450   3HG2  VAL  58          HG23      VAL  58 -10.927   8.893   8.893
  451    H    ALA  59           HN       ALA  59  -6.641   8.302   8.302
  452    HA   ALA  59           HA       ALA  59  -7.023   5.768   5.768
  453   1HB   ALA  59           HB2      ALA  59  -4.735   7.715   7.715
  454   2HB   ALA  59           HB1      ALA  59  -4.694   6.076   6.076
  455   3HB   ALA  59           HB3      ALA  59  -4.875   6.333   6.333
  456    H    LEU  60           HN       LEU  60  -6.450   8.955   8.955
  457    HA   LEU  60           HA       LEU  60  -6.610   8.111   8.111
  458   1HB   LEU  60           HB2      LEU  60  -5.665  10.279  10.279
  459   2HB   LEU  60           HB1      LEU  60  -7.300  10.829  10.829
  460    HG   LEU  60           HG       LEU  60  -7.775  11.131  11.131
  461   1HD1  LEU  60          HD22      LEU  60  -5.661   9.087   9.087
  462   2HD1  LEU  60          HD21      LEU  60  -6.642   9.955   9.955
  463   3HD1  LEU  60          HD23      LEU  60  -7.408   8.847   8.847
  464   1HD2  LEU  60          HD13      LEU  60  -5.127  11.897  11.897
  465   2HD2  LEU  60          HD12      LEU  60  -6.273  12.738  12.738
  466   3HD2  LEU  60          HD11      LEU  60  -5.171  11.545  11.545
  467    H    GLU  61           HN       GLU  61  -9.050   9.277   9.277
  468    HA   GLU  61           HA       GLU  61 -11.187   9.477   9.477
  469   1HB   GLU  61           HB1      GLU  61 -10.806   9.668   9.668
  470   2HB   GLU  61           HB2      GLU  61 -12.249   8.724   8.724
  471   1HG   GLU  61           HG1      GLU  61 -12.453  11.273  11.273
  472   2HG   GLU  61           HG2      GLU  61 -13.317  10.483  10.483
  473    H    LEU  62           HN       LEU  62 -10.073   6.804   6.804
  474    HA   LEU  62           HA       LEU  62 -12.159   5.016   5.016
  475   1HB   LEU  62           HB1      LEU  62  -9.476   4.850   4.850
  476   2HB   LEU  62           HB2      LEU  62 -10.043   3.366   3.366
  477    HG   LEU  62           HG       LEU  62 -11.242   4.874   4.874
  478   1HD1  LEU  62          HD12      LEU  62  -9.429   3.115   3.115
  479   2HD1  LEU  62          HD11      LEU  62 -10.634   1.944   1.944
  480   3HD1  LEU  62          HD13      LEU  62 -10.910   2.887   2.887
  481   1HD2  LEU  62          HD22      LEU  62 -12.546   2.920   2.920
  482   2HD2  LEU  62          HD21      LEU  62 -13.177   4.432   4.432
  483   3HD2  LEU  62          HD23      LEU  62 -13.027   3.018   3.018
  484    H    LEU  63           HN       LEU  63  -8.852   5.156   5.156
  485    HA   LEU  63           HA       LEU  63  -9.285   3.227   3.227
  486   1HB   LEU  63           HB2      LEU  63  -7.257   5.409   5.409
  487   2HB   LEU  63           HB1      LEU  63  -7.268   4.433   4.433
  488    HG   LEU  63           HG       LEU  63  -7.254   2.992   2.992
  489   1HD1  LEU  63          HD12      LEU  63  -5.147   4.853   4.853
  490   2HD1  LEU  63          HD11      LEU  63  -4.604   3.246   3.246
  491   3HD1  LEU  63          HD13      LEU  63  -5.525   4.241   4.241
  492   1HD2  LEU  63          HD23      LEU  63  -6.900   2.384   2.384
  493   2HD2  LEU  63          HD22      LEU  63  -6.766   1.298   1.298
  494   3HD2  LEU  63          HD21      LEU  63  -5.338   2.142   2.142
  495    H    LYS  64           HN       LYS  64  -9.876   6.667   6.667
  496    HA   LYS  64           HA       LYS  64 -10.157   7.170   7.170
  497   1HB   LYS  64           HB2      LYS  64 -10.936   8.515   8.515
  498   2HB   LYS  64           HB1      LYS  64 -11.830   8.979   8.979
  499   1HG   LYS  64           HG2      LYS  64  -8.908   8.892   8.892
  500   2HG   LYS  64           HG1      LYS  64  -9.525  10.128  10.128
  501   1HD   LYS  64           HD2      LYS  64 -11.230  10.386  10.386
  502   2HD   LYS  64           HD1      LYS  64  -9.736   9.922   9.922
  503   1HE   LYS  64           HE1      LYS  64  -8.569  11.776  11.776
  504   2HE   LYS  64           HE2      LYS  64  -9.800  12.098  12.098
  505   1HZ   LYS  64           HZ2      LYS  64 -11.220  12.332  12.332
  506   2HZ   LYS  64           HZ1      LYS  64  -9.712  12.877  12.877
  507   3HZ   LYS  64           HZ3      LYS  64 -10.465  13.632  13.632
  508    H    GLN  65           HN       GLN  65 -12.541   6.277   6.277
  509    HA   GLN  65           HA       GLN  65 -14.835   6.394   6.394
  510   1HB   GLN  65           HB2      GLN  65 -15.100   6.139   6.139
  511   2HB   GLN  65           HB1      GLN  65 -14.112   4.686   4.686
  512   1HG   GLN  65           HG1      GLN  65 -16.528   4.255   4.255
  513   2HG   GLN  65           HG2      GLN  65 -15.815   3.424   3.424
  514   1HE2  GLN  65          HE22      GLN  65 -18.116   6.707   6.707
  515   2HE2  GLN  65          HE21      GLN  65 -16.999   6.732   6.732
  516    H    GLY  66           HN       GLY  66 -12.292   4.032   4.032
  517   1HA   GLY  66           HA2      GLY  66 -12.060   2.727   2.727
  518   2HA   GLY  66           HA1      GLY  66 -13.787   2.424   2.424
  519    H    ALA  67           HN       ALA  67 -11.204   2.246   2.246
  520    HA   ALA  67           HA       ALA  67 -12.055  -0.519  -0.519
  521   1HB   ALA  67           HB1      ALA  67 -12.208   1.306   1.306
  522   2HB   ALA  67           HB3      ALA  67 -10.453   1.156   1.156
  523   3HB   ALA  67           HB2      ALA  67 -11.478  -0.239  -0.239
  524    H    SER  68           HN       SER  68 -10.711  -2.102  -2.102
  525    HA   SER  68           HA       SER  68  -8.213  -1.670  -1.670
  526   1HB   SER  68           HB1      SER  68  -8.397  -4.325  -4.325
  527   2HB   SER  68           HB2      SER  68  -8.461  -3.826  -3.826
  528    HG   SER  68           HG       SER  68 -10.630  -3.664  -3.664
  529    HA   PRO  69           HA       PRO  69  -5.773  -1.064  -1.064
  530   1HB   PRO  69           HB1      PRO  69  -3.372  -0.863  -0.863
  531   2HB   PRO  69           HB2      PRO  69  -4.566   0.439   0.439
  532   1HG   PRO  69           HG2      PRO  69  -3.947  -1.611  -1.611
  533   2HG   PRO  69           HG1      PRO  69  -4.256   0.125   0.125
  534   1HD   PRO  69           HD2      PRO  69  -6.140  -1.778  -1.778
  535   2HD   PRO  69           HD1      PRO  69  -6.538  -0.146  -0.146
  536    H    ASN  70           HN       ASN  70  -4.833  -3.394  -3.394
  537    HA   ASN  70           HA       ASN  70  -3.089  -4.884  -4.884
  538   1HB   ASN  70           HB2      ASN  70  -3.251  -4.797  -4.797
  539   2HB   ASN  70           HB1      ASN  70  -4.430  -6.088  -6.088
  540   1HD2  ASN  70          HD22      ASN  70  -0.476  -6.780  -6.780
  541   2HD2  ASN  70          HD21      ASN  70  -1.116  -5.205  -5.205
  542    H    VAL  71           HN       VAL  71  -3.961  -5.685  -5.685
  543    HA   VAL  71           HA       VAL  71  -6.094  -7.671  -7.671
  544    HB   VAL  71           HB       VAL  71  -7.087  -6.868  -6.868
  545   1HG1  VAL  71          HG21      VAL  71  -7.601  -6.127  -6.127
  546   2HG1  VAL  71          HG23      VAL  71  -7.540  -4.584  -4.584
  547   3HG1  VAL  71          HG22      VAL  71  -8.655  -5.842  -5.842
  548   1HG2  VAL  71          HG13      VAL  71  -5.392  -4.449  -4.449
  549   2HG2  VAL  71          HG12      VAL  71  -5.250  -5.511  -5.511
  550   3HG2  VAL  71          HG11      VAL  71  -6.685  -4.505  -4.505
  551    H    GLN  72           HN       GLN  72  -5.738  -9.499  -9.499
  552    HA   GLN  72           HA       GLN  72  -3.938  -9.485  -9.485
  553   1HB   GLN  72           HB2      GLN  72  -3.514 -11.339 -11.339
  554   2HB   GLN  72           HB1      GLN  72  -2.565 -11.289 -11.289
  555   1HG   GLN  72           HG2      GLN  72  -1.529  -9.299  -9.299
  556   2HG   GLN  72           HG1      GLN  72  -2.785  -8.868  -8.868
  557   1HE2  GLN  72          HE22      GLN  72   0.355 -10.048 -10.048
  558   2HE2  GLN  72          HE21      GLN  72   0.050  -8.910  -8.910
  559    H    ASP  73           HN       ASP  73  -4.595 -10.836 -10.836
  560    HA   ASP  73           HA       ASP  73  -6.366 -13.065 -13.065
  561   1HB   ASP  73           HB1      ASP  73  -7.012 -11.316 -11.316
  562   2HB   ASP  73           HB2      ASP  73  -8.049 -12.469 -12.469
  563    H    ALA  74           HN       ALA  74  -4.483 -11.446 -11.446
  564    HA   ALA  74           HA       ALA  74  -4.079 -14.046 -14.046
  565   1HB   ALA  74           HB2      ALA  74  -3.770 -11.228 -11.228
  566   2HB   ALA  74           HB1      ALA  74  -3.203 -12.637 -12.637
  567   3HB   ALA  74           HB3      ALA  74  -4.919 -12.454 -12.454
  568    H    SER  75           HN       SER  75  -2.284 -15.079 -15.079
  569    HA   SER  75           HA       SER  75  -0.214 -15.440 -15.440
  570   1HB   SER  75           HB1      SER  75   0.975 -13.479 -13.479
  571   2HB   SER  75           HB2      SER  75   1.349 -15.187 -15.187
  572    HG   SER  75           HG       SER  75   0.366 -15.111 -15.111
  573    H    GLY  76           HN       GLY  76  -1.110 -14.042 -14.042
  574   1HA   GLY  76           HA2      GLY  76  -0.859 -12.268 -12.268
  575   2HA   GLY  76           HA1      GLY  76   0.819 -12.759 -12.759
  576    H    THR  77           HN       THR  77  -1.599 -10.784 -10.784
  577    HA   THR  77           HA       THR  77   0.518  -8.778  -8.778
  578    HB   THR  77           HB       THR  77  -1.665  -9.623  -9.623
  579    HG1  THR  77           HG1      THR  77   0.476 -10.744 -10.744
  580   1HG2  THR  77          HG22      THR  77  -0.067  -7.145  -7.145
  581   2HG2  THR  77          HG21      THR  77  -0.216  -7.948  -7.948
  582   3HG2  THR  77          HG23      THR  77  -1.663  -7.451  -7.451
  583    H    SER  78           HN       SER  78  -0.042  -6.629  -6.629
  584    HA   SER  78           HA       SER  78  -2.801  -5.956  -5.956
  585   1HB   SER  78           HB2      SER  78  -0.878  -4.718  -4.718
  586   2HB   SER  78           HB1      SER  78  -2.457  -5.433  -5.433
  587    HG   SER  78           HG       SER  78   0.067  -6.669  -6.669
  588    HA   PRO  79           HA       PRO  79  -2.335  -1.953  -1.953
  589   1HB   PRO  79           HB1      PRO  79  -2.052  -0.672  -0.672
  590   2HB   PRO  79           HB2      PRO  79  -3.132  -0.257  -0.257
  591   1HG   PRO  79           HG1      PRO  79  -4.050  -1.548  -1.548
  592   2HG   PRO  79           HG2      PRO  79  -4.636  -1.944  -1.944
  593   1HD   PRO  79           HD1      PRO  79  -2.753  -3.442  -3.442
  594   2HD   PRO  79           HD2      PRO  79  -3.933  -4.055  -4.055
  595    H    VAL  80           HN       VAL  80  -0.237  -2.147  -2.147
  596    HA   VAL  80           HA       VAL  80   1.731  -0.380  -0.380
  597    HB   VAL  80           HB       VAL  80   1.357  -2.160  -2.160
  598   1HG1  VAL  80          HG11      VAL  80   3.951  -2.806  -2.806
  599   2HG1  VAL  80          HG13      VAL  80   3.586  -3.218  -3.218
  600   3HG1  VAL  80          HG12      VAL  80   2.630  -3.916  -3.916
  601   1HG2  VAL  80          HG23      VAL  80   2.220   0.203   0.203
  602   2HG2  VAL  80          HG22      VAL  80   2.985  -0.871  -0.871
  603   3HG2  VAL  80          HG21      VAL  80   3.811  -0.479  -0.479
  604    H    HIS  81           HN       HIS  81   1.343  -3.776  -3.776
  605    HA   HIS  81           HA       HIS  81   3.815  -4.196  -4.196
  606   1HB   HIS  81           HB2      HIS  81   1.221  -5.526  -5.526
  607   2HB   HIS  81           HB1      HIS  81   2.030  -5.731  -5.731
  608    HD2  HIS  81           HD2      HIS  81   4.508  -7.078  -7.078
  609    HE1  HIS  81           HE1      HIS  81   3.843  -8.535  -8.535
  610    HE2  HIS  81           HE2      HIS  81   5.412  -8.560  -8.560
  611    H    ASP  82           HN       ASP  82   0.752  -3.781  -3.781
  612    HA   ASP  82           HA       ASP  82   1.919  -3.201  -3.201
  613   1HB   ASP  82           HB2      ASP  82  -0.703  -3.372  -3.372
  614   2HB   ASP  82           HB1      ASP  82  -0.588  -1.834  -1.834
  615    H    ALA  83           HN       ALA  83   1.122  -1.096  -1.096
  616    HA   ALA  83           HA       ALA  83   1.189   1.386   1.386
  617   1HB   ALA  83           HB1      ALA  83   0.690   0.821   0.821
  618   2HB   ALA  83           HB3      ALA  83   2.434   0.869   0.869
  619   3HB   ALA  83           HB2      ALA  83   1.585   2.311   2.311
  620    H    ALA  84           HN       ALA  84   3.952  -0.381  -0.381
  621    HA   ALA  84           HA       ALA  84   5.899   1.516   1.516
  622   1HB   ALA  84           HB3      ALA  84   5.882  -0.730  -0.730
  623   2HB   ALA  84           HB2      ALA  84   6.845  -1.244  -1.244
  624   3HB   ALA  84           HB1      ALA  84   7.322   0.179   0.179
  625    H    ARG  85           HN       ARG  85   4.852  -1.512  -1.512
  626    HA   ARG  85           HA       ARG  85   6.662  -1.290  -1.290
  627   1HB   ARG  85           HB2      ARG  85   5.859  -3.464  -3.464
  628   2HB   ARG  85           HB1      ARG  85   4.185  -2.961  -2.961
  629   1HG   ARG  85           HG1      ARG  85   4.288  -3.827  -3.827
  630   2HG   ARG  85           HG2      ARG  85   5.327  -2.469  -2.469
  631   1HD   ARG  85           HD1      ARG  85   7.243  -3.710  -3.710
  632   2HD   ARG  85           HD2      ARG  85   6.570  -4.825  -4.825
  633    HE   ARG  85           HE       ARG  85   6.501  -5.098  -5.098
  634   1HH1  ARG  85          HH11      ARG  85   4.821  -5.864  -5.864
  635   2HH1  ARG  85          HH12      ARG  85   4.031  -7.258  -7.258
  636   1HH2  ARG  85          HH21      ARG  85   5.466  -6.930  -6.930
  637   2HH2  ARG  85          HH22      ARG  85   4.397  -7.863  -7.863
  638    H    THR  86           HN       THR  86   3.518  -0.006  -0.006
  639    HA   THR  86           HA       THR  86   2.754   0.470   0.470
  640    HB   THR  86           HB       THR  86   1.127   2.110   2.110
  641    HG1  THR  86           HG1      THR  86   1.529   2.486   2.486
  642   1HG2  THR  86          HG22      THR  86   1.185  -0.830  -0.830
  643   2HG2  THR  86          HG21      THR  86  -0.038   0.126   0.126
  644   3HG2  THR  86          HG23      THR  86   0.059   0.164   0.164
  645    H    GLY  87           HN       GLY  87   3.323   2.926   2.926
  646   1HA   GLY  87           HA1      GLY  87   5.257   4.476   4.476
  647   2HA   GLY  87           HA2      GLY  87   4.625   4.577   4.577
  648    H    PHE  88           HN       PHE  88   3.448   4.933   4.933
  649    HA   PHE  88           HA       PHE  88   2.401   7.564   7.564
  650   1HB   PHE  88           HB2      PHE  88   0.675   5.245   5.245
  651   2HB   PHE  88           HB1      PHE  88   0.181   6.920   6.920
  652    HD1  PHE  88           HD2      PHE  88  -0.187   8.382   8.382
  653    HD2  PHE  88           HD1      PHE  88   0.555   4.200   4.200
  654    HE1  PHE  88           HE2      PHE  88  -1.069   8.441   8.441
  655    HE2  PHE  88           HE1      PHE  88  -0.325   4.252   4.252
  656    HZ   PHE  88           HZ       PHE  88  -1.137   6.374   6.374
  657    H    LEU  89           HN       LEU  89   4.481   7.403   7.403
  658    HA   LEU  89           HA       LEU  89   4.329   6.747   6.747
  659   1HB   LEU  89           HB2      LEU  89   6.378   7.470   7.470
  660   2HB   LEU  89           HB1      LEU  89   5.767   9.113   9.113
  661    HG   LEU  89           HG       LEU  89   7.491   8.416   8.416
  662   1HD1  LEU  89          HD12      LEU  89   5.751  10.464  10.464
  663   2HD1  LEU  89          HD11      LEU  89   5.233   9.776   9.776
  664   3HD1  LEU  89          HD13      LEU  89   6.905  10.296  10.296
  665   1HD2  LEU  89          HD23      LEU  89   4.920   7.325   7.325
  666   2HD2  LEU  89          HD22      LEU  89   6.422   6.449   6.449
  667   3HD2  LEU  89          HD21      LEU  89   6.352   7.679   7.679
  668    H    ASP  90           HN       ASP  90   2.676   9.249   9.249
  669    HA   ASP  90           HA       ASP  90   2.327  11.131  11.131
  670   1HB   ASP  90           HB1      ASP  90   0.203  10.484  10.484
  671   2HB   ASP  90           HB2      ASP  90   0.584  12.042  12.042
  672    H    THR  91           HN       THR  91  -0.193   8.872   8.872
  673    HA   THR  91           HA       THR  91  -1.606   9.060   9.060
  674    HB   THR  91           HB       THR  91  -2.061   6.908   6.908
  675    HG1  THR  91           HG1      THR  91  -2.342   9.648   9.648
  676   1HG2  THR  91          HG22      THR  91  -3.454   7.667   7.667
  677   2HG2  THR  91          HG21      THR  91  -4.375   8.338   8.338
  678   3HG2  THR  91          HG23      THR  91  -4.018   6.612   6.612
  679    H    LEU  92           HN       LEU  92   0.796   6.933   6.933
  680    HA   LEU  92           HA       LEU  92   0.415   4.647   4.647
  681   1HB   LEU  92           HB2      LEU  92   1.968   4.609   4.609
  682   2HB   LEU  92           HB1      LEU  92   2.911   5.912   5.912
  683    HG   LEU  92           HG       LEU  92   2.646   3.236   3.236
  684   1HD1  LEU  92          HD11      LEU  92   3.738   3.499   3.499
  685   2HD1  LEU  92          HD13      LEU  92   5.134   3.807   3.807
  686   3HD1  LEU  92          HD12      LEU  92   4.233   2.299   2.299
  687   1HD2  LEU  92          HD21      LEU  92   4.226   5.710   5.710
  688   2HD2  LEU  92          HD23      LEU  92   3.548   4.594   4.594
  689   3HD2  LEU  92          HD22      LEU  92   5.028   4.173   4.173
  690    H    LYS  93           HN       LYS  93   2.638   7.356   7.356
  691    HA   LYS  93           HA       LYS  93   3.488   6.526   6.526
  692   1HB   LYS  93           HB1      LYS  93   4.253   8.741   8.741
  693   2HB   LYS  93           HB2      LYS  93   4.380   8.451   8.451
  694   1HG   LYS  93           HG2      LYS  93   2.306   9.684   9.684
  695   2HG   LYS  93           HG1      LYS  93   2.175   9.973   9.973
  696   1HD   LYS  93           HD1      LYS  93   3.309  11.859  11.859
  697   2HD   LYS  93           HD2      LYS  93   4.725  10.826  10.826
  698   1HE   LYS  93           HE1      LYS  93   4.895  11.541  11.541
  699   2HE   LYS  93           HE2      LYS  93   3.346  10.777  10.777
  700   1HZ   LYS  93           HZ2      LYS  93   3.560  13.504  13.504
  701   2HZ   LYS  93           HZ1      LYS  93   3.516  13.211  13.211
  702   3HZ   LYS  93           HZ3      LYS  93   2.202  12.771  12.771
  703    H    VAL  94           HN       VAL  94   0.502   8.132   8.132
  704    HA   VAL  94           HA       VAL  94  -0.334   9.026   9.026
  705    HB   VAL  94           HB       VAL  94  -1.883   8.113   8.113
  706   1HG1  VAL  94          HG22      VAL  94  -3.247   7.596   7.596
  707   2HG1  VAL  94          HG21      VAL  94  -3.047   9.251   9.251
  708   3HG1  VAL  94          HG23      VAL  94  -3.926   8.936   8.936
  709   1HG2  VAL  94          HG13      VAL  94  -0.973  10.691  10.691
  710   2HG2  VAL  94          HG12      VAL  94  -1.082  10.172  10.172
  711   3HG2  VAL  94          HG11      VAL  94  -2.536  10.671  10.671
  712    H    LEU  95           HN       LEU  95  -1.491   6.056   6.056
  713    HA   LEU  95           HA       LEU  95  -2.504   4.951   4.951
  714   1HB   LEU  95           HB1      LEU  95  -2.761   2.873   2.873
  715   2HB   LEU  95           HB2      LEU  95  -3.532   4.292   4.292
  716    HG   LEU  95           HG       LEU  95  -1.065   4.342   4.342
  717   1HD1  LEU  95          HD12      LEU  95  -1.756   1.550   1.550
  718   2HD1  LEU  95          HD11      LEU  95  -1.144   1.851   1.851
  719   3HD1  LEU  95          HD13      LEU  95  -0.179   2.307   2.307
  720   1HD2  LEU  95          HD21      LEU  95  -3.813   3.711   3.711
  721   2HD2  LEU  95          HD23      LEU  95  -2.613   4.683   4.683
  722   3HD2  LEU  95          HD22      LEU  95  -2.631   2.931   2.931
  723    H    VAL  96           HN       VAL  96   0.525   4.795   4.795
  724    HA   VAL  96           HA       VAL  96   1.563   2.506   2.506
  725    HB   VAL  96           HB       VAL  96   2.823   4.683   4.683
  726   1HG1  VAL  96          HG13      VAL  96   4.165   2.603   2.603
  727   2HG1  VAL  96          HG12      VAL  96   4.875   3.070   3.070
  728   3HG1  VAL  96          HG11      VAL  96   4.623   4.281   4.281
  729   1HG2  VAL  96          HG23      VAL  96   1.818   1.974   1.974
  730   2HG2  VAL  96          HG22      VAL  96   2.068   3.290   3.290
  731   3HG2  VAL  96          HG21      VAL  96   3.419   2.257   2.257
  732    H    GLU  97           HN       GLU  97   1.785   5.997   5.997
  733    HA   GLU  97           HA       GLU  97   3.644   5.826   5.826
  734   1HB   GLU  97           HB2      GLU  97   3.317   8.170   8.170
  735   2HB   GLU  97           HB1      GLU  97   3.273   7.844   7.844
  736   1HG   GLU  97           HG2      GLU  97   0.860   8.212   8.212
  737   2HG   GLU  97           HG1      GLU  97   1.558   9.446   9.446
  738    H    HIS  98           HN       HIS  98   0.204   5.588   5.588
  739    HA   HIS  98           HA       HIS  98  -0.567   6.266   6.266
  740   1HB   HIS  98           HB1      HIS  98  -2.081   5.889   5.889
  741   2HB   HIS  98           HB2      HIS  98  -1.890   4.161   4.161
  742    HD2  HIS  98           HD2      HIS  98  -4.310   6.807   6.807
  743    HE1  HIS  98           HE1      HIS  98  -4.487   4.074   4.074
  744    HE2  HIS  98           HE2      HIS  98  -5.523   6.146   6.146
  745    H    GLY  99           HN       GLY  99  -0.204   2.975   2.975
  746   1HA   GLY  99           HA1      GLY  99   1.311   2.002   2.002
  747   2HA   GLY  99           HA2      GLY  99  -0.385   1.631   1.631
  748    H    ALA 100           HN       ALA 100  -0.906   1.329   1.329
  749    HA   ALA 100           HA       ALA 100  -0.963  -1.282  -1.282
  750   1HB   ALA 100           HB1      ALA 100  -0.481   0.971   0.971
  751   2HB   ALA 100           HB3      ALA 100  -0.244  -0.660  -0.660
  752   3HB   ALA 100           HB2      ALA 100  -1.803  -0.196  -0.196
  753    H    ASP 101           HN       ASP 101   0.419  -2.898  -2.898
  754    HA   ASP 101           HA       ASP 101   3.069  -2.832  -2.832
  755   1HB   ASP 101           HB2      ASP 101   1.200  -4.839  -4.839
  756   2HB   ASP 101           HB1      ASP 101   2.665  -5.105  -5.105
  757    H    VAL 102           HN       VAL 102   4.776  -2.052  -2.052
  758    HA   VAL 102           HA       VAL 102   4.740  -1.954  -1.954
  759    HB   VAL 102           HB       VAL 102   4.899   0.226   0.226
  760   1HG1  VAL 102          HG21      VAL 102   6.628  -0.841  -0.841
  761   2HG1  VAL 102          HG23      VAL 102   7.794  -0.476  -0.476
  762   3HG1  VAL 102          HG22      VAL 102   6.878   0.827   0.827
  763   1HG2  VAL 102          HG12      VAL 102   5.569  -0.226  -0.226
  764   2HG2  VAL 102          HG11      VAL 102   6.190   1.234   1.234
  765   3HG2  VAL 102          HG13      VAL 102   7.230  -0.180  -0.180
  766    H    ASN 103           HN       ASN 103   5.648  -4.136  -4.136
  767    HA   ASN 103           HA       ASN 103   8.270  -4.538  -4.538
  768   1HB   ASN 103           HB1      ASN 103   8.189  -5.691  -5.691
  769   2HB   ASN 103           HB2      ASN 103   9.401  -4.644  -4.644
  770   1HD2  ASN 103          HD22      ASN 103   6.301  -2.934  -2.934
  771   2HD2  ASN 103          HD21      ASN 103   6.070  -4.419  -4.419
  772    H    ALA 104           HN       ALA 104   5.553  -5.577  -5.577
  773    HA   ALA 104           HA       ALA 104   5.975  -8.426  -8.426
  774   1HB   ALA 104           HB2      ALA 104   3.462  -6.918  -6.918
  775   2HB   ALA 104           HB1      ALA 104   3.555  -8.676  -8.676
  776   3HB   ALA 104           HB3      ALA 104   3.865  -7.680  -7.680
  777    H    LEU 105           HN       LEU 105   6.381  -9.817  -9.817
  778    HA   LEU 105           HA       LEU 105   6.521  -8.821  -8.821
  779   1HB   LEU 105           HB2      LEU 105   7.503 -11.525 -11.525
  780   2HB   LEU 105           HB1      LEU 105   8.275 -10.197 -10.197
  781    HG   LEU 105           HG       LEU 105   9.661 -10.553 -10.553
  782   1HD1  LEU 105          HD23      LEU 105   8.239  -8.191  -8.191
  783   2HD1  LEU 105          HD22      LEU 105   8.218  -8.662  -8.662
  784   3HD1  LEU 105          HD21      LEU 105   9.754  -8.483  -8.483
  785   1HD2  LEU 105          HD11      LEU 105   7.515 -11.851 -11.851
  786   2HD2  LEU 105          HD13      LEU 105   9.098 -11.654 -11.654
  787   3HD2  LEU 105          HD12      LEU 105   7.799 -10.521 -10.521
  788    H    ASP 106           HN       ASP 106   5.912 -10.320 -10.320
  789    HA   ASP 106           HA       ASP 106   3.304 -11.430 -11.430
  790   1HB   ASP 106           HB1      ASP 106   3.095 -11.613 -11.613
  791   2HB   ASP 106           HB2      ASP 106   3.721 -10.020 -10.020
  792    H    SER 107           HN       SER 107   4.927 -12.957 -12.957
  793    HA   SER 107           HA       SER 107   5.248 -15.193 -15.193
  794   1HB   SER 107           HB1      SER 107   3.408 -15.546 -15.546
  795   2HB   SER 107           HB2      SER 107   4.691 -15.725 -15.725
  796    HG   SER 107           HG       SER 107   5.508 -17.454 -17.454
  797    H    THR 108           HN       THR 108   6.378 -14.538 -14.538
  798    HA   THR 108           HA       THR 108   8.651 -16.017 -16.017
  799    HB   THR 108           HB       THR 108   9.571 -14.456 -14.456
  800    HG1  THR 108           HG1      THR 108   7.610 -12.599 -12.599
  801   1HG2  THR 108          HG21      THR 108   7.005 -15.486 -15.486
  802   2HG2  THR 108          HG23      THR 108   6.877 -13.807 -13.807
  803   3HG2  THR 108          HG22      THR 108   8.042 -14.882 -14.882
  804    H    GLY 109           HN       GLY 109   8.049 -13.145 -13.145
  805   1HA   GLY 109           HA1      GLY 109   9.199 -12.508 -12.508
  806   2HA   GLY 109           HA2      GLY 109  10.505 -13.591 -13.591
  807    H    SER 110           HN       SER 110   9.137 -11.212 -11.212
  808    HA   SER 110           HA       SER 110  11.729  -9.838  -9.838
  809   1HB   SER 110           HB1      SER 110  10.314  -8.802  -8.802
  810   2HB   SER 110           HB2      SER 110  11.417 -10.173 -10.173
  811    HG   SER 110           HG       SER 110   9.234 -10.499 -10.499
  812    H    LEU 111           HN       LEU 111  11.606  -8.373  -8.373
  813    HA   LEU 111           HA       LEU 111   9.616  -6.966  -6.966
  814   1HB   LEU 111           HB1      LEU 111  12.225  -6.755  -6.755
  815   2HB   LEU 111           HB2      LEU 111  12.009  -5.379  -5.379
  816    HG   LEU 111           HG       LEU 111  10.376  -4.445  -4.445
  817   1HD1  LEU 111          HD22      LEU 111   9.869  -6.650  -6.650
  818   2HD1  LEU 111          HD21      LEU 111  11.452  -6.573  -6.573
  819   3HD1  LEU 111          HD23      LEU 111  10.231  -5.352  -5.352
  820   1HD2  LEU 111          HD11      LEU 111  13.190  -4.496  -4.496
  821   2HD2  LEU 111          HD13      LEU 111  12.107  -3.262  -3.262
  822   3HD2  LEU 111          HD12      LEU 111  12.634  -4.596  -4.596
  823    HA   PRO 112           HA       PRO 112   7.248  -4.787  -4.787
  824   1HB   PRO 112           HB2      PRO 112   7.298  -2.676  -2.676
  825   2HB   PRO 112           HB1      PRO 112   5.929  -3.310  -3.310
  826   1HG   PRO 112           HG1      PRO 112   6.346  -4.086  -4.086
  827   2HG   PRO 112           HG2      PRO 112   5.790  -5.239  -5.239
  828   1HD   PRO 112           HD2      PRO 112   8.477  -4.945  -4.945
  829   2HD   PRO 112           HD1      PRO 112   7.668  -6.401  -6.401
  830    H    ILE 113           HN       ILE 113   9.984  -3.304  -3.304
  831    HA   ILE 113           HA       ILE 113  10.208  -1.078  -1.078
  832    HB   ILE 113           HB       ILE 113  11.163  -0.878  -0.878
  833   1HG1  ILE 113          HG11      ILE 113  13.627  -1.100  -1.100
  834   2HG1  ILE 113          HG12      ILE 113  12.362   0.014   0.014
  835   1HG2  ILE 113          HG22      ILE 113  12.795  -3.284  -3.284
  836   2HG2  ILE 113          HG21      ILE 113  13.185  -2.250  -2.250
  837   3HG2  ILE 113          HG23      ILE 113  11.655  -3.126  -3.126
  838   1HD1  ILE 113          HD13      ILE 113  13.135   0.206   0.206
  839   2HD1  ILE 113          HD12      ILE 113  14.377   0.662   0.662
  840   3HD1  ILE 113          HD11      ILE 113  12.810   1.471   1.471
  841    H    HIS 114           HN       HIS 114  11.587  -4.310  -4.310
  842    HA   HIS 114           HA       HIS 114  13.646  -4.076  -4.076
  843   1HB   HIS 114           HB1      HIS 114  11.760  -6.405  -6.405
  844   2HB   HIS 114           HB2      HIS 114  13.276  -6.493  -6.493
  845    HD2  HIS 114           HD2      HIS 114  14.809  -4.581  -4.581
  846    HE1  HIS 114           HE1      HIS 114  14.128  -8.141  -8.141
  847    HE2  HIS 114           HE2      HIS 114  15.558  -6.055  -6.055
  848    H    LEU 115           HN       LEU 115  10.189  -4.425  -4.425
  849    HA   LEU 115           HA       LEU 115  10.375  -4.802  -4.802
  850   1HB   LEU 115           HB1      LEU 115   7.960  -3.495  -3.495
  851   2HB   LEU 115           HB2      LEU 115   8.100  -4.862  -4.862
  852    HG   LEU 115           HG       LEU 115   8.199  -4.834  -4.834
  853   1HD1  LEU 115          HD12      LEU 115   6.479  -5.946  -5.946
  854   2HD1  LEU 115          HD11      LEU 115   6.741  -6.964  -6.964
  855   3HD1  LEU 115          HD13      LEU 115   6.061  -5.348  -5.348
  856   1HD2  LEU 115          HD23      LEU 115   9.839  -6.442  -6.442
  857   2HD2  LEU 115          HD22      LEU 115   9.774  -6.395  -6.395
  858   3HD2  LEU 115          HD21      LEU 115   8.683  -7.453  -7.453
  859    H    ALA 116           HN       ALA 116   9.764  -1.953  -1.953
  860    HA   ALA 116           HA       ALA 116   9.378  -0.084  -0.084
  861   1HB   ALA 116           HB3      ALA 116   8.986   0.329   0.329
  862   2HB   ALA 116           HB2      ALA 116  10.732   0.411   0.411
  863   3HB   ALA 116           HB1      ALA 116   9.922   1.604   1.604
  864    H    ILE 117           HN       ILE 117  12.347  -1.266  -1.266
  865    HA   ILE 117           HA       ILE 117  14.179   0.461   0.461
  866    HB   ILE 117           HB       ILE 117  14.473  -2.410  -2.410
  867   1HG1  ILE 117          HG11      ILE 117  15.495   0.156   0.156
  868   2HG1  ILE 117          HG12      ILE 117  14.019  -0.665  -0.665
  869   1HG2  ILE 117          HG22      ILE 117  16.579  -0.505  -0.505
  870   2HG2  ILE 117          HG21      ILE 117  16.930  -1.983  -1.983
  871   3HG2  ILE 117          HG23      ILE 117  16.136  -2.073  -2.073
  872   1HD1  ILE 117          HD12      ILE 117  15.463  -2.682  -2.682
  873   2HD1  ILE 117          HD11      ILE 117  16.850  -1.610  -1.610
  874   3HD1  ILE 117          HD13      ILE 117  15.668  -1.294  -1.294
  875    H    ARG 118           HN       ARG 118  12.690  -2.512  -2.512
  876    HA   ARG 118           HA       ARG 118  14.281  -2.791  -2.791
  877   1HB   ARG 118           HB1      ARG 118  11.427  -3.718  -3.718
  878   2HB   ARG 118           HB2      ARG 118  12.752  -4.453  -4.453
  879   1HG   ARG 118           HG1      ARG 118  13.664  -4.517  -4.517
  880   2HG   ARG 118           HG2      ARG 118  11.933  -4.813  -4.813
  881   1HD   ARG 118           HD2      ARG 118  13.077  -6.917  -6.917
  882   2HD   ARG 118           HD1      ARG 118  12.094  -6.602  -6.602
  883    HE   ARG 118           HE       ARG 118  14.447  -5.655  -5.655
  884   1HH1  ARG 118          HH21      ARG 118  13.642  -8.615  -8.615
  885   2HH1  ARG 118          HH22      ARG 118  14.957  -9.507  -9.507
  886   1HH2  ARG 118          HH11      ARG 118  16.182  -6.819  -6.819
  887   2HH2  ARG 118          HH12      ARG 118  16.402  -8.487  -8.487
  888    H    GLU 119           HN       GLU 119  11.802  -0.616  -0.616
  889    HA   GLU 119           HA       GLU 119  11.206   0.008   0.008
  890   1HB   GLU 119           HB1      GLU 119   9.927   0.945   0.945
  891   2HB   GLU 119           HB2      GLU 119   9.454   1.504   1.504
  892   1HG   GLU 119           HG2      GLU 119   9.453  -1.413  -1.413
  893   2HG   GLU 119           HG1      GLU 119   8.107  -0.380  -0.380
  894    H    GLY 120           HN       GLY 120  12.199   1.656   1.656
  895   1HA   GLY 120           HA2      GLY 120  13.844   3.303   3.303
  896   2HA   GLY 120           HA1      GLY 120  13.933   3.396   3.396
  897    H    HIS 121           HN       HIS 121  11.077   3.710   3.710
  898    HA   HIS 121           HA       HIS 121  10.239   6.072   6.072
  899   1HB   HIS 121           HB2      HIS 121   9.200   4.410   4.410
  900   2HB   HIS 121           HB1      HIS 121   8.596   6.057   6.057
  901    HD2  HIS 121           HD2      HIS 121   7.813   2.637   2.637
  902    HE1  HIS 121           HE1      HIS 121   6.141   5.362   5.362
  903    HE2  HIS 121           HE2      HIS 121   6.349   2.921   2.921
  904    H    SER 122           HN       SER 122  12.585   5.631   5.631
  905    HA   SER 122           HA       SER 122  13.777   7.030   7.030
  906   1HB   SER 122           HB1      SER 122  12.351   9.488   9.488
  907   2HB   SER 122           HB2      SER 122  14.079   9.139   9.139
  908    HG   SER 122           HG       SER 122  12.480   9.174   9.174
  909    H    SER 123           HN       SER 123  10.667   8.755   8.755
  910    HA   SER 123           HA       SER 123  10.556   9.433   9.433
  911   1HB   SER 123           HB1      SER 123   8.389   9.075   9.075
  912   2HB   SER 123           HB2      SER 123   8.039   9.626   9.626
  913    HG   SER 123           HG       SER 123   9.115  10.987  10.987
  914    H    VAL 124           HN       VAL 124   9.291   6.577   6.577
  915    HA   VAL 124           HA       VAL 124   8.032   5.495   5.495
  916    HB   VAL 124           HB       VAL 124   8.770   4.261   4.261
  917   1HG1  VAL 124          HG11      VAL 124   8.833   2.549   2.549
  918   2HG1  VAL 124          HG13      VAL 124   7.194   2.997   2.997
  919   3HG1  VAL 124          HG12      VAL 124   7.492   2.302   2.302
  920   1HG2  VAL 124          HG21      VAL 124   6.777   5.995   5.995
  921   2HG2  VAL 124          HG23      VAL 124   6.698   4.789   4.789
  922   3HG2  VAL 124          HG22      VAL 124   5.971   4.453   4.453
  923    H    VAL 125           HN       VAL 125  10.861   4.354   4.354
  924    HA   VAL 125           HA       VAL 125  11.760   2.457   2.457
  925    HB   VAL 125           HB       VAL 125  14.109   3.156   3.156
  926   1HG1  VAL 125          HG21      VAL 125  11.819   1.837   1.837
  927   2HG1  VAL 125          HG23      VAL 125  13.306   2.102   2.102
  928   3HG1  VAL 125          HG22      VAL 125  13.337   1.148   1.148
  929   1HG2  VAL 125          HG13      VAL 125  12.505   5.221   5.221
  930   2HG2  VAL 125          HG12      VAL 125  14.194   4.878   4.878
  931   3HG2  VAL 125          HG11      VAL 125  12.912   4.182   4.182
  932    H    SER 126           HN       SER 126  12.755   5.866   5.866
  933    HA   SER 126           HA       SER 126  14.512   5.914   5.914
  934   1HB   SER 126           HB2      SER 126  14.262   8.306   8.306
  935   2HB   SER 126           HB1      SER 126  14.208   7.722   7.722
  936    HG   SER 126           HG       SER 126  12.460   8.935   8.935
  937    H    PHE 127           HN       PHE 127  11.040   6.443   6.443
  938    HA   PHE 127           HA       PHE 127  10.806   7.057   7.057
  939   1HB   PHE 127           HB2      PHE 127   9.127   7.921   7.921
  940   2HB   PHE 127           HB1      PHE 127   8.777   6.321   6.321
  941    HD1  PHE 127           HD1      PHE 127   8.575   8.376   8.376
  942    HD2  PHE 127           HD2      PHE 127   7.131   4.973   4.973
  943    HE1  PHE 127           HE1      PHE 127   6.791   8.091   8.091
  944    HE2  PHE 127           HE2      PHE 127   5.344   4.682   4.682
  945    HZ   PHE 127           HZ       PHE 127   5.172   6.248   6.248
  946    H    LEU 128           HN       LEU 128  10.440   4.141   4.141
  947    HA   LEU 128           HA       LEU 128   9.389   2.540   2.540
  948   1HB   LEU 128           HB1      LEU 128  10.150   2.195   2.195
  949   2HB   LEU 128           HB2      LEU 128  10.610   0.815   0.815
  950    HG   LEU 128           HG       LEU 128   8.343   0.687   0.687
  951   1HD1  LEU 128          HD13      LEU 128   9.169  -0.565  -0.565
  952   2HD1  LEU 128          HD12      LEU 128   8.070   0.504   0.504
  953   3HD1  LEU 128          HD11      LEU 128   7.446  -0.574  -0.574
  954   1HD2  LEU 128          HD21      LEU 128   7.864   3.139   3.139
  955   2HD2  LEU 128          HD23      LEU 128   6.551   1.964   1.964
  956   3HD2  LEU 128          HD22      LEU 128   7.391   2.478   2.478
  957    H    ALA 129           HN       ALA 129  12.372   3.893   3.893
  958    HA   ALA 129           HA       ALA 129  14.076   1.738   1.738
  959   1HB   ALA 129           HB3      ALA 129  14.322   4.650   4.650
  960   2HB   ALA 129           HB2      ALA 129  15.419   3.911   3.911
  961   3HB   ALA 129           HB1      ALA 129  15.415   3.364   3.364
  962    HA   PRO 130           HA       PRO 130  13.981   3.322   3.322
  963   1HB   PRO 130           HB2      PRO 130  12.386   5.460   5.460
  964   2HB   PRO 130           HB1      PRO 130  14.085   5.606   5.606
  965   1HG   PRO 130           HG2      PRO 130  11.630   5.969   5.969
  966   2HG   PRO 130           HG1      PRO 130  13.122   6.929   6.929
  967   1HD   PRO 130           HD1      PRO 130  12.616   5.083   5.083
  968   2HD   PRO 130           HD2      PRO 130  14.257   5.428   5.428
  969    H    GLU 131           HN       GLU 131  10.787   4.337   4.337
  970    HA   GLU 131           HA       GLU 131   9.130   3.430   3.430
  971   1HB   GLU 131           HB1      GLU 131   8.711   3.065   3.065
  972   2HB   GLU 131           HB2      GLU 131   7.444   2.992   2.992
  973   1HG   GLU 131           HG1      GLU 131   9.172   5.414   5.414
  974   2HG   GLU 131           HG2      GLU 131   7.659   5.155   5.155
  975    H    SER 132           HN       SER 132  10.779   1.437   1.437
  976    HA   SER 132           HA       SER 132   9.574  -0.981  -0.981
  977   1HB   SER 132           HB1      SER 132  11.492  -0.780  -0.780
  978   2HB   SER 132           HB2      SER 132  10.450  -2.140  -2.140
  979    HG   SER 132           HG       SER 132   9.893  -0.058  -0.058
  980    H    ASP 133           HN       ASP 133  10.653  -2.388  -2.388
  981    HA   ASP 133           HA       ASP 133  12.746  -1.812  -1.812
  982   1HB   ASP 133           HB2      ASP 133  13.303  -4.340  -4.340
  983   2HB   ASP 133           HB1      ASP 133  11.949  -4.454  -4.454
  984    H    LEU 134           HN       LEU 134  14.601  -0.870  -0.870
  985    HA   LEU 134           HA       LEU 134  15.898  -1.349  -1.349
  986   1HB   LEU 134           HB1      LEU 134  16.550   0.208   0.208
  987   2HB   LEU 134           HB2      LEU 134  17.758  -0.015  -0.015
  988    HG   LEU 134           HG       LEU 134  15.053   1.242   1.242
  989   1HD1  LEU 134          HD11      LEU 134  16.493   2.593   2.593
  990   2HD1  LEU 134          HD13      LEU 134  17.746   2.574   2.574
  991   3HD1  LEU 134          HD12      LEU 134  16.201   3.362   3.362
  992   1HD2  LEU 134          HD21      LEU 134  16.368   0.055   0.055
  993   2HD2  LEU 134          HD23      LEU 134  15.693   1.660   1.660
  994   3HD2  LEU 134          HD22      LEU 134  17.410   1.475   1.475
  995    H    HIS 135           HN       HIS 135  15.715  -3.259  -3.259
  996    HA   HIS 135           HA       HIS 135  18.433  -4.330  -4.330
  997   1HB   HIS 135           HB2      HIS 135  17.529  -5.545  -5.545
  998   2HB   HIS 135           HB1      HIS 135  18.494  -4.073  -4.073
  999    HD2  HIS 135           HD2      HIS 135  16.931  -1.661  -1.661
 1000    HE1  HIS 135           HE1      HIS 135  13.719  -3.717  -3.717
 1001    HE2  HIS 135           HE2      HIS 135  14.819  -1.458  -1.458
 1002    H    HIS 136           HN       HIS 136  15.943  -4.839  -4.839
 1003    HA   HIS 136           HA       HIS 136  15.629  -7.719  -7.719
 1004   1HB   HIS 136           HB1      HIS 136  13.644  -5.960  -5.960
 1005   2HB   HIS 136           HB2      HIS 136  13.877  -6.281  -6.281
 1006    HD2  HIS 136           HD2      HIS 136  12.970  -8.698  -8.698
 1007    HE1  HIS 136           HE1      HIS 136  11.567 -10.062 -10.062
 1008    HE2  HIS 136           HE2      HIS 136  11.773 -10.607 -10.607
 1009    H    ARG 137           HN       ARG 137  15.199  -8.990  -8.990
 1010    HA   ARG 137           HA       ARG 137  16.522  -8.040  -8.040
 1011   1HB   ARG 137           HB1      ARG 137  17.794 -10.214 -10.214
 1012   2HB   ARG 137           HB2      ARG 137  18.217  -9.889  -9.889
 1013   1HG   ARG 137           HG2      ARG 137  19.842  -8.694  -8.694
 1014   2HG   ARG 137           HG1      ARG 137  18.593  -7.450  -7.450
 1015   1HD   ARG 137           HD2      ARG 137  18.921  -7.229  -7.229
 1016   2HD   ARG 137           HD1      ARG 137  17.973  -8.709  -8.709
 1017    HE   ARG 137           HE       ARG 137  20.589  -9.499  -9.499
 1018   1HH1  ARG 137          HH21      ARG 137  18.804  -7.667  -7.667
 1019   2HH1  ARG 137          HH22      ARG 137  19.847  -8.100  -8.100
 1020   1HH2  ARG 137          HH11      ARG 137  21.970 -10.073 -10.073
 1021   2HH2  ARG 137          HH12      ARG 137  21.647  -9.469  -9.469
 1022    H    ASP 138           HN       ASP 138  16.381  -9.559  -9.559
 1023    HA   ASP 138           HA       ASP 138  13.956 -11.099 -11.099
 1024   1HB   ASP 138           HB2      ASP 138  15.064  -9.716  -9.716
 1025   2HB   ASP 138           HB1      ASP 138  15.814 -11.273 -11.273
 1026    H    ALA 139           HN       ALA 139  13.814 -13.363 -13.363
 1027    HA   ALA 139           HA       ALA 139  15.259 -15.104 -15.104
 1028   1HB   ALA 139           HB2      ALA 139  13.225 -15.444 -15.444
 1029   2HB   ALA 139           HB1      ALA 139  14.515 -16.088 -16.088
 1030   3HB   ALA 139           HB3      ALA 139  14.206 -16.795 -16.795
 1031    H    SER 140           HN       SER 140  16.149 -13.593 -13.593
 1032    HA   SER 140           HA       SER 140  18.374 -15.256 -15.256
 1033   1HB   SER 140           HB1      SER 140  17.975 -14.159 -14.159
 1034   2HB   SER 140           HB2      SER 140  17.044 -12.919 -12.919
 1035    HG   SER 140           HG       SER 140  19.789 -12.998 -12.998
 1036    H    GLY 141           HN       GLY 141  17.925 -12.188 -12.188
 1037   1HA   GLY 141           HA1      GLY 141  19.375 -11.757 -11.757
 1038   2HA   GLY 141           HA2      GLY 141  20.703 -12.409 -12.409
 1039    H    LEU 142           HN       LEU 142  18.234 -10.194 -10.194
 1040    HA   LEU 142           HA       LEU 142  20.341  -8.306  -8.306
 1041   1HB   LEU 142           HB1      LEU 142  17.416  -8.273  -8.273
 1042   2HB   LEU 142           HB2      LEU 142  18.669  -7.250  -7.250
 1043    HG   LEU 142           HG       LEU 142  18.523 -10.251 -10.251
 1044   1HD1  LEU 142          HD21      LEU 142  16.980  -8.347  -8.347
 1045   2HD1  LEU 142          HD23      LEU 142  18.306  -8.614  -8.614
 1046   3HD1  LEU 142          HD22      LEU 142  17.319  -9.973  -9.973
 1047   1HD2  LEU 142          HD12      LEU 142  20.812  -9.316  -9.316
 1048   2HD2  LEU 142          HD11      LEU 142  20.339 -10.002 -10.002
 1049   3HD2  LEU 142          HD13      LEU 142  20.343  -8.253  -8.253
 1050    H    THR 143           HN       THR 143  18.958  -5.940  -5.940
 1051    HA   THR 143           HA       THR 143  17.493  -5.254  -5.254
 1052    HB   THR 143           HB       THR 143  19.986  -3.935  -3.935
 1053    HG1  THR 143           HG1      THR 143  21.308  -5.519  -5.519
 1054   1HG2  THR 143          HG22      THR 143  17.852  -5.179  -5.179
 1055   2HG2  THR 143          HG21      THR 143  19.393  -5.776  -5.776
 1056   3HG2  THR 143          HG23      THR 143  19.067  -4.043  -4.043
 1057    HA   PRO 144           HA       PRO 144  16.743  -1.359  -1.359
 1058   1HB   PRO 144           HB1      PRO 144  18.227  -0.093  -0.093
 1059   2HB   PRO 144           HB2      PRO 144  16.671   0.356   0.356
 1060   1HG   PRO 144           HG1      PRO 144  16.776  -1.000  -1.000
 1061   2HG   PRO 144           HG2      PRO 144  15.536  -1.356  -1.356
 1062   1HD   PRO 144           HD2      PRO 144  17.943  -2.920  -2.920
 1063   2HD   PRO 144           HD1      PRO 144  16.394  -3.476  -3.476
 1064    H    LEU 145           HN       LEU 145  19.915  -1.129  -1.129
 1065    HA   LEU 145           HA       LEU 145  21.069   0.399   0.399
 1066   1HB   LEU 145           HB2      LEU 145  21.910  -0.696  -0.696
 1067   2HB   LEU 145           HB1      LEU 145  23.191  -0.615  -0.615
 1068    HG   LEU 145           HG       LEU 145  21.490   1.714   1.714
 1069   1HD1  LEU 145          HD11      LEU 145  23.582   0.501   0.501
 1070   2HD1  LEU 145          HD13      LEU 145  24.343   1.853   1.853
 1071   3HD1  LEU 145          HD12      LEU 145  22.988   2.143   2.143
 1072   1HD2  LEU 145          HD22      LEU 145  23.025   1.343   1.343
 1073   2HD2  LEU 145          HD21      LEU 145  22.226   2.808   2.808
 1074   3HD2  LEU 145          HD23      LEU 145  23.894   2.475   2.475
 1075    H    GLU 146           HN       GLU 146  21.237  -2.996  -2.996
 1076    HA   GLU 146           HA       GLU 146  23.180  -3.896  -3.896
 1077   1HB   GLU 146           HB2      GLU 146  22.367  -5.322  -5.322
 1078   2HB   GLU 146           HB1      GLU 146  20.745  -5.315  -5.315
 1079   1HG   GLU 146           HG1      GLU 146  21.960  -7.407  -7.407
 1080   2HG   GLU 146           HG2      GLU 146  21.482  -6.575  -6.575
 1081    H    LEU 147           HN       LEU 147  19.685  -4.453  -4.453
 1082    HA   LEU 147           HA       LEU 147  19.798  -5.119  -5.119
 1083   1HB   LEU 147           HB2      LEU 147  17.819  -5.288  -5.288
 1084   2HB   LEU 147           HB1      LEU 147  17.533  -3.588  -3.588
 1085    HG   LEU 147           HG       LEU 147  17.251  -4.114  -4.114
 1086   1HD1  LEU 147          HD23      LEU 147  18.157  -6.716  -6.716
 1087   2HD1  LEU 147          HD22      LEU 147  16.670  -6.808  -6.808
 1088   3HD1  LEU 147          HD21      LEU 147  18.104  -6.048  -6.048
 1089   1HD2  LEU 147          HD11      LEU 147  15.324  -3.923  -3.923
 1090   2HD2  LEU 147          HD13      LEU 147  15.044  -5.110  -5.110
 1091   3HD2  LEU 147          HD12      LEU 147  15.436  -5.646  -5.646
 1092    H    ALA 148           HN       ALA 148  19.604  -1.958  -1.958
 1093    HA   ALA 148           HA       ALA 148  19.087  -0.358  -0.358
 1094   1HB   ALA 148           HB2      ALA 148  20.638   0.115   0.115
 1095   2HB   ALA 148           HB1      ALA 148  20.497   1.363   1.363
 1096   3HB   ALA 148           HB3      ALA 148  19.049   0.727   0.727
 1097    H    ARG 149           HN       ARG 149  22.169  -1.606  -1.606
 1098    HA   ARG 149           HA       ARG 149  23.872  -0.346  -0.346
 1099   1HB   ARG 149           HB1      ARG 149  24.776  -1.456  -1.456
 1100   2HB   ARG 149           HB2      ARG 149  24.127  -3.004  -3.004
 1101   1HG   ARG 149           HG2      ARG 149  26.171  -3.366  -3.366
 1102   2HG   ARG 149           HG1      ARG 149  25.679  -2.298  -2.298
 1103   1HD   ARG 149           HD2      ARG 149  26.851  -1.159  -1.159
 1104   2HD   ARG 149           HD1      ARG 149  27.903  -1.842  -1.842
 1105    HE   ARG 149           HE       ARG 149  26.406   0.619   0.619
 1106   1HH1  ARG 149          HH21      ARG 149  28.062  -1.878  -1.878
 1107   2HH1  ARG 149          HH22      ARG 149  28.343  -0.886  -0.886
 1108   1HH2  ARG 149          HH11      ARG 149  26.773   1.937   1.937
 1109   2HH2  ARG 149          HH12      ARG 149  27.611   1.284   1.284
 1110    H    GLN 150           HN       GLN 150  21.663  -2.945  -2.945
 1111    HA   GLN 150           HA       GLN 150  22.783  -4.146  -4.146
 1112   1HB   GLN 150           HB2      GLN 150  20.694  -4.723  -4.723
 1113   2HB   GLN 150           HB1      GLN 150  19.902  -4.429  -4.429
 1114   1HG   GLN 150           HG2      GLN 150  21.473  -6.076  -6.076
 1115   2HG   GLN 150           HG1      GLN 150  22.034  -6.458  -6.458
 1116   1HE2  GLN 150          HE22      GLN 150  19.301  -8.433  -8.433
 1117   2HE2  GLN 150          HE21      GLN 150  20.748  -7.643  -7.643
 1118    H    ARG 151           HN       ARG 151  19.631  -2.534  -2.534
 1119    HA   ARG 151           HA       ARG 151  19.738  -1.669  -1.669
 1120   1HB   ARG 151           HB2      ARG 151  17.809  -0.609  -0.609
 1121   2HB   ARG 151           HB1      ARG 151  17.557  -0.848  -0.848
 1122   1HG   ARG 151           HG1      ARG 151  17.655  -2.927  -2.927
 1123   2HG   ARG 151           HG2      ARG 151  16.306  -2.514  -2.514
 1124   1HD   ARG 151           HD1      ARG 151  18.788  -3.361  -3.361
 1125   2HD   ARG 151           HD2      ARG 151  17.958  -4.605  -4.605
 1126    HE   ARG 151           HE       ARG 151  15.953  -3.578  -3.578
 1127   1HH1  ARG 151          HH21      ARG 151  19.153  -4.615  -4.615
 1128   2HH1  ARG 151          HH22      ARG 151  18.693  -5.089  -5.089
 1129   1HH2  ARG 151          HH11      ARG 151  15.335  -4.199  -4.199
 1130   2HH2  ARG 151          HH12      ARG 151  16.521  -4.853  -4.853
 1131    H    GLY 152           HN       GLY 152  21.814  -0.552  -0.552
 1132   1HA   GLY 152           HA1      GLY 152  22.195   1.687   1.687
 1133   2HA   GLY 152           HA2      GLY 152  23.097   1.330   1.330
 1134    H    ALA 153           HN       ALA 153  19.756   2.300   2.300
 1135    HA   ALA 153           HA       ALA 153  19.542   3.918   3.918
 1136   1HB   ALA 153           HB2      ALA 153  17.740   2.838   2.838
 1137   2HB   ALA 153           HB1      ALA 153  17.711   4.534   4.534
 1138   3HB   ALA 153           HB3      ALA 153  17.365   4.089   4.089
 1139    H    GLN 154           HN       GLN 154  21.023   4.396   4.396
 1140    HA   GLN 154           HA       GLN 154  22.338   6.189   6.189
 1141   1HB   GLN 154           HB2      GLN 154  22.123   7.030   7.030
 1142   2HB   GLN 154           HB1      GLN 154  20.730   7.955   7.955
 1143   1HG   GLN 154           HG2      GLN 154  22.884   9.218   9.218
 1144   2HG   GLN 154           HG1      GLN 154  22.047   9.266   9.266
 1145   1HE2  GLN 154          HE22      GLN 154  25.220   6.698   6.698
 1146   2HE2  GLN 154          HE21      GLN 154  24.009   6.674   6.674
 1147    H    ASN 155           HN       ASN 155  18.872   6.585   6.585
 1148    HA   ASN 155           HA       ASN 155  18.563   8.520   8.520
 1149   1HB   ASN 155           HB1      ASN 155  16.088   7.679   7.679
 1150   2HB   ASN 155           HB2      ASN 155  16.805   8.593   8.593
 1151   1HD2  ASN 155          HD21      ASN 155  17.406   7.515   7.515
 1152   2HD2  ASN 155          HD22      ASN 155  16.765   5.960   5.960
 1153    H    LEU 156           HN       LEU 156  17.395   5.146   5.146
 1154    HA   LEU 156           HA       LEU 156  16.732   4.887   4.887
 1155   1HB   LEU 156           HB1      LEU 156  17.512   2.377   2.377
 1156   2HB   LEU 156           HB2      LEU 156  16.007   3.054   3.054
 1157    HG   LEU 156           HG       LEU 156  18.297   3.480   3.480
 1158   1HD1  LEU 156          HD13      LEU 156  17.843   0.868   0.868
 1159   2HD1  LEU 156          HD12      LEU 156  17.540   0.869   0.869
 1160   3HD1  LEU 156          HD11      LEU 156  19.099   1.410   1.410
 1161   1HD2  LEU 156          HD23      LEU 156  15.595   3.640   3.640
 1162   2HD2  LEU 156          HD22      LEU 156  16.688   3.483   3.483
 1163   3HD2  LEU 156          HD21      LEU 156  15.897   2.055   2.055
 1164    H    MET 157           HN       MET 157  19.834   3.894   3.894
 1165    HA   MET 157           HA       MET 157  21.111   3.053   3.053
 1166   1HB   MET 157           HB2      MET 157  21.986   4.185   4.185
 1167   2HB   MET 157           HB1      MET 157  23.174   4.159   4.159
 1168   1HG   MET 157           HG2      MET 157  21.638   1.767   1.767
 1169   2HG   MET 157           HG1      MET 157  23.279   2.183   2.183
 1170   1HE   MET 157           HE1      MET 157  25.243   2.348   2.348
 1171   2HE   MET 157           HE3      MET 157  24.611   3.144   3.144
 1172   3HE   MET 157           HE2      MET 157  25.421   1.584   1.584
 1173    H    ASP 158           HN       ASP 158  20.344   6.259   6.259
 1174    HA   ASP 158           HA       ASP 158  22.099   7.602   7.602
 1175   1HB   ASP 158           HB1      ASP 158  21.096   8.510   8.510
 1176   2HB   ASP 158           HB2      ASP 158  19.654   8.836   8.836
 1177    H    ILE 159           HN       ILE 159  18.551   7.756   7.756
 1178    HA   ILE 159           HA       ILE 159  18.163   8.736   8.736
 1179    HB   ILE 159           HB       ILE 159  15.911   7.428   7.428
 1180   1HG1  ILE 159          HG11      ILE 159  17.259   6.293   6.293
 1181   2HG1  ILE 159          HG12      ILE 159  15.521   6.244   6.244
 1182   1HG2  ILE 159          HG23      ILE 159  16.894   9.789   9.789
 1183   2HG2  ILE 159          HG22      ILE 159  15.256   9.205   9.205
 1184   3HG2  ILE 159          HG21      ILE 159  15.744   9.699   9.699
 1185   1HD1  ILE 159          HD11      ILE 159  16.942   8.333   8.333
 1186   2HD1  ILE 159          HD13      ILE 159  16.141   6.905   6.905
 1187   3HD1  ILE 159          HD12      ILE 159  15.198   8.136   8.136
 1188    H    LEU 160           HN       LEU 160  18.406   5.355   5.355
 1189    HA   LEU 160           HA       LEU 160  17.778   4.321   4.321
 1190   1HB   LEU 160           HB1      LEU 160  18.992   3.055   3.055
 1191   2HB   LEU 160           HB2      LEU 160  18.634   2.167   2.167
 1192    HG   LEU 160           HG       LEU 160  16.228   3.049   3.049
 1193   1HD1  LEU 160          HD21      LEU 160  16.837   4.700   4.700
 1194   2HD1  LEU 160          HD23      LEU 160  17.155   3.349   3.349
 1195   3HD1  LEU 160          HD22      LEU 160  15.532   3.609   3.609
 1196   1HD2  LEU 160          HD12      LEU 160  17.091   0.703   0.703
 1197   2HD2  LEU 160          HD11      LEU 160  15.624   1.139   1.139
 1198   3HD2  LEU 160          HD13      LEU 160  17.173   1.103   1.103
 1199    H    GLN 161           HN       GLN 161  20.567   5.704   5.704
 1200    HA   GLN 161           HA       GLN 161  22.514   4.232   4.232
 1201   1HB   GLN 161           HB1      GLN 161  22.537   6.223   6.223
 1202   2HB   GLN 161           HB2      GLN 161  23.411   6.884   6.884
 1203   1HG   GLN 161           HG1      GLN 161  23.984   4.238   4.238
 1204   2HG   GLN 161           HG2      GLN 161  24.874   5.733   5.733
 1205   1HE2  GLN 161          HE22      GLN 161  27.104   4.917   4.917
 1206   2HE2  GLN 161          HE21      GLN 161  26.797   5.478   5.478
 1207    H    GLY 162           HN       GLY 162  21.377   7.599   7.599
 1208   1HA   GLY 162           HA2      GLY 162  22.495   7.953   7.953
 1209   2HA   GLY 162           HA1      GLY 162  21.320   9.008   9.008
 1210    H    HIS 163           HN       HIS 163  19.150   7.400   7.400
 1211    HA   HIS 163           HA       HIS 163  17.899   7.481   7.481
 1212   1HB   HIS 163           HB1      HIS 163  17.284   5.959   5.959
 1213   2HB   HIS 163           HB2      HIS 163  16.258   5.818   5.818
 1214    HD2  HIS 163           HD2      HIS 163  15.640   7.405   7.405
 1215    HE1  HIS 163           HE1      HIS 163  15.040  10.603  10.603
 1216    HE2  HIS 163           HE2      HIS 163  14.781   9.833   9.833
 1217    H    MET 164           HN       MET 164  20.100   5.180   5.180
 1218    HA   MET 164           HA       MET 164  19.289   3.115   3.115
 1219   1HB   MET 164           HB2      MET 164  21.137   3.210   3.210
 1220   2HB   MET 164           HB1      MET 164  21.364   1.964   1.964
 1221   1HG   MET 164           HG2      MET 164  18.612   2.290   2.290
 1222   2HG   MET 164           HG1      MET 164  19.781   1.704   1.704
 1223   1HE   MET 164           HE2      MET 164  21.761   0.331   0.331
 1224   2HE   MET 164           HE1      MET 164  21.428  -1.083  -1.083
 1225   3HE   MET 164           HE3      MET 164  21.053  -1.112  -1.112
 1226    H    MET 165           HN       MET 165  20.359   2.673   2.673
 1227    HA   MET 165           HA       MET 165  22.362   4.526   4.526
 1228   1HB   MET 165           HB2      MET 165  20.786   3.826   3.826
 1229   2HB   MET 165           HB1      MET 165  21.037   2.128   2.128
 1230   1HG   MET 165           HG1      MET 165  23.535   3.195   3.195
 1231   2HG   MET 165           HG2      MET 165  22.339   3.738   3.738
 1232   1HE   MET 165           HE2      MET 165  20.295   1.949   1.949
 1233   2HE   MET 165           HE1      MET 165  20.537   0.417   0.417
 1234   3HE   MET 165           HE3      MET 165  20.658   0.489   0.489
 1235    H    ILE 166           HN       ILE 166  23.897   3.925   3.925
 1236    HA   ILE 166           HA       ILE 166  25.136   1.641   1.641
 1237    HB   ILE 166           HB       ILE 166  27.383   3.045   3.045
 1238   1HG1  ILE 166          HG12      ILE 166  27.000   5.428   5.428
 1239   2HG1  ILE 166          HG11      ILE 166  25.255   5.193   5.193
 1240   1HG2  ILE 166          HG22      ILE 166  25.532   2.540   2.540
 1241   2HG2  ILE 166          HG21      ILE 166  25.791   4.283   4.283
 1242   3HG2  ILE 166          HG23      ILE 166  27.162   3.182   3.182
 1243   1HD1  ILE 166          HD12      ILE 166  25.465   4.255   4.255
 1244   2HD1  ILE 166          HD11      ILE 166  27.196   4.589   4.589
 1245   3HD1  ILE 166          HD13      ILE 166  26.039   5.919   5.919
 1246    HA   PRO 167           HA       PRO 167  25.951   0.174   0.174
 1247   1HB   PRO 167           HB2      PRO 167  26.623  -2.205  -2.205
 1248   2HB   PRO 167           HB1      PRO 167  25.644  -2.096  -2.096
 1249   1HG   PRO 167           HG2      PRO 167  24.492  -2.407  -2.407
 1250   2HG   PRO 167           HG1      PRO 167  23.769  -1.354  -1.354
 1251   1HD   PRO 167           HD1      PRO 167  25.310  -0.625  -0.625
 1252   2HD   PRO 167           HD2      PRO 167  23.916   0.188   0.188
 1253    H    MET 168           HN       MET 168  27.829   0.962   0.962
 1254    HA   MET 168           HA       MET 168  30.312  -0.121  -0.121
 1255   1HB   MET 168           HB1      MET 168  29.457   2.665   2.665
 1256   2HB   MET 168           HB2      MET 168  31.010   2.464   2.464
 1257   1HG   MET 168           HG2      MET 168  31.925   1.372   1.372
 1258   2HG   MET 168           HG1      MET 168  30.352   1.377   1.377
 1259   1HE   MET 168           HE2      MET 168  32.900   2.101   2.101
 1260   2HE   MET 168           HE1      MET 168  31.881   2.991   2.991
 1261   3HE   MET 168           HE3      MET 168  33.227   3.803   3.803

  Start of MODEL   15
    1   1H    GLY   1           HT2      GLY   1 -32.207 -15.950 -15.950
    2   2H    GLY   1           HT1      GLY   1 -33.824 -16.369 -16.369
    3   3H    GLY   1           HT3      GLY   1 -32.673 -16.629 -16.629
    4   1HA   GLY   1           HA2      GLY   1 -33.171 -14.663 -14.663
    5   2HA   GLY   1           HA1      GLY   1 -34.226 -14.327 -14.327
    6    H    SER   2           HN       SER   2 -30.705 -14.669 -14.669
    7    HA   SER   2           HA       SER   2 -30.080 -11.981 -11.981
    8   1HB   SER   2           HB2      SER   2 -30.540 -13.561 -13.561
    9   2HB   SER   2           HB1      SER   2 -28.964 -12.770 -12.770
   10    HG   SER   2           HG       SER   2 -30.122 -11.141 -11.141
   11    H    MET   3           HN       MET   3 -27.901 -11.576 -11.576
   12    HA   MET   3           HA       MET   3 -26.203 -13.951 -13.951
   13   1HB   MET   3           HB2      MET   3 -26.230 -11.343 -11.343
   14   2HB   MET   3           HB1      MET   3 -24.987 -12.573 -12.573
   15   1HG   MET   3           HG2      MET   3 -27.856 -13.294 -13.294
   16   2HG   MET   3           HG1      MET   3 -26.973 -12.468 -12.468
   17   1HE   MET   3           HE3      MET   3 -26.589 -13.618 -13.618
   18   2HE   MET   3           HE2      MET   3 -24.879 -13.995 -13.995
   19   3HE   MET   3           HE1      MET   3 -26.020 -15.274 -15.274
   20    H    LEU   4           HN       LEU   4 -26.673 -11.209 -11.209
   21    HA   LEU   4           HA       LEU   4 -23.815 -11.049 -11.049
   22   1HB   LEU   4           HB1      LEU   4 -25.981  -8.974  -8.974
   23   2HB   LEU   4           HB2      LEU   4 -24.330  -8.798  -8.798
   24    HG   LEU   4           HG       LEU   4 -23.789  -9.267  -9.267
   25   1HD1  LEU   4          HD11      LEU   4 -26.658  -8.513  -8.513
   26   2HD1  LEU   4          HD13      LEU   4 -25.647  -7.811  -7.811
   27   3HD1  LEU   4          HD12      LEU   4 -25.789  -9.563  -9.563
   28   1HD2  LEU   4          HD21      LEU   4 -24.608  -6.699  -6.699
   29   2HD2  LEU   4          HD23      LEU   4 -22.985  -7.314  -7.314
   30   3HD2  LEU   4          HD22      LEU   4 -23.983  -6.742  -6.742
   31    H    LEU   5           HN       LEU   5 -23.283 -10.764 -10.764
   32    HA   LEU   5           HA       LEU   5 -25.243 -12.065 -12.065
   33   1HB   LEU   5           HB2      LEU   5 -22.296 -11.770 -11.770
   34   2HB   LEU   5           HB1      LEU   5 -23.429 -12.860 -12.860
   35    HG   LEU   5           HG       LEU   5 -22.415 -13.049 -13.049
   36   1HD1  LEU   5          HD11      LEU   5 -21.212 -13.856 -13.856
   37   2HD1  LEU   5          HD13      LEU   5 -22.067 -15.308 -15.308
   38   3HD1  LEU   5          HD12      LEU   5 -20.912 -14.532 -14.532
   39   1HD2  LEU   5          HD21      LEU   5 -24.811 -14.084 -14.084
   40   2HD2  LEU   5          HD23      LEU   5 -24.266 -14.179 -14.179
   41   3HD2  LEU   5          HD22      LEU   5 -23.747 -15.395 -15.395
   42    H    GLU   6           HN       GLU   6 -23.921 -11.378 -11.378
   43    HA   GLU   6           HA       GLU   6 -23.397  -8.709  -8.709
   44   1HB   GLU   6           HB2      GLU   6 -25.991  -8.890  -8.890
   45   2HB   GLU   6           HB1      GLU   6 -26.186  -8.930  -8.930
   46   1HG   GLU   6           HG2      GLU   6 -25.555  -6.785  -6.785
   47   2HG   GLU   6           HG1      GLU   6 -24.369  -6.862  -6.862
   48    H    GLU   7           HN       GLU   7 -22.371 -10.876 -10.876
   49    HA   GLU   7           HA       GLU   7 -23.612 -11.162 -11.162
   50   1HB   GLU   7           HB2      GLU   7 -21.249 -12.793 -12.793
   51   2HB   GLU   7           HB1      GLU   7 -22.658 -13.238 -13.238
   52   1HG   GLU   7           HG2      GLU   7 -22.166 -14.021 -14.021
   53   2HG   GLU   7           HG1      GLU   7 -23.742 -14.035 -14.035
   54    H    VAL   8           HN       VAL   8 -21.810  -8.947  -8.947
   55    HA   VAL   8           HA       VAL   8 -19.650  -9.061  -9.061
   56    HB   VAL   8           HB       VAL   8 -18.600  -7.236  -7.236
   57   1HG1  VAL   8          HG22      VAL   8 -18.097  -9.545  -9.545
   58   2HG1  VAL   8          HG21      VAL   8 -19.432  -9.530  -9.530
   59   3HG1  VAL   8          HG23      VAL   8 -18.037  -8.480  -8.480
   60   1HG2  VAL   8          HG11      VAL   8 -20.807  -6.280  -6.280
   61   2HG2  VAL   8          HG13      VAL   8 -19.501  -6.305  -6.305
   62   3HG2  VAL   8          HG12      VAL   8 -20.783  -7.513  -7.513
   63    H    CYS   9           HN       CYS   9 -22.479  -7.257  -7.257
   64    HA   CYS   9           HA       CYS   9 -23.644  -5.564  -5.564
   65   1HB   CYS   9           HB1      CYS   9 -22.271  -5.958  -5.958
   66   2HB   CYS   9           HB2      CYS   9 -23.981  -5.735  -5.735
   67    HG   CYS   9           HG       CYS   9 -23.383  -8.395  -8.395
   68    H    VAL  10           HN       VAL  10 -23.393  -3.418  -3.418
   69    HA   VAL  10           HA       VAL  10 -22.359  -1.393  -1.393
   70    HB   VAL  10           HB       VAL  10 -20.351  -1.736  -1.736
   71   1HG1  VAL  10          HG12      VAL  10 -21.380   0.389   0.389
   72   2HG1  VAL  10          HG11      VAL  10 -22.885  -0.106  -0.106
   73   3HG1  VAL  10          HG13      VAL  10 -21.439   0.168   0.168
   74   1HG2  VAL  10          HG23      VAL  10 -23.075  -2.840  -2.840
   75   2HG2  VAL  10          HG22      VAL  10 -21.509  -3.394  -3.394
   76   3HG2  VAL  10          HG21      VAL  10 -22.261  -1.960  -1.960
   77    H    GLY  11           HN       GLY  11 -21.115  -3.871  -3.871
   78   1HA   GLY  11           HA1      GLY  11 -18.291  -3.267  -3.267
   79   2HA   GLY  11           HA2      GLY  11 -19.125  -4.507  -4.507
   80    H    ASP  12           HN       ASP  12 -20.795  -3.413  -3.413
   81    HA   ASP  12           HA       ASP  12 -19.229  -2.078  -2.078
   82   1HB   ASP  12           HB1      ASP  12 -21.190  -3.515  -3.515
   83   2HB   ASP  12           HB2      ASP  12 -21.257  -1.942  -1.942
   84    H    ARG  13           HN       ARG  13 -20.737  -0.907  -0.907
   85    HA   ARG  13           HA       ARG  13 -21.104   1.783   1.783
   86   1HB   ARG  13           HB1      ARG  13 -22.921   0.837   0.837
   87   2HB   ARG  13           HB2      ARG  13 -21.809   0.686   0.686
   88   1HG   ARG  13           HG2      ARG  13 -21.945   2.863   2.863
   89   2HG   ARG  13           HG1      ARG  13 -21.992   3.375   3.375
   90   1HD   ARG  13           HD2      ARG  13 -24.268   2.296   2.296
   91   2HD   ARG  13           HD1      ARG  13 -24.091   3.928   3.928
   92    HE   ARG  13           HE       ARG  13 -24.985   1.583   1.583
   93   1HH1  ARG  13          HH21      ARG  13 -23.689   4.806   4.806
   94   2HH1  ARG  13          HH22      ARG  13 -24.270   5.058   5.058
   95   1HH2  ARG  13          HH11      ARG  13 -25.757   1.905   1.905
   96   2HH2  ARG  13          HH12      ARG  13 -25.446   3.410   3.410
   97    H    LEU  14           HN       LEU  14 -19.871   0.562   0.562
   98    HA   LEU  14           HA       LEU  14 -18.123   2.791   2.791
   99   1HB   LEU  14           HB1      LEU  14 -19.008   1.769   1.769
  100   2HB   LEU  14           HB2      LEU  14 -18.434   0.185   0.185
  101    HG   LEU  14           HG       LEU  14 -17.187   1.561   1.561
  102   1HD1  LEU  14          HD13      LEU  14 -16.583  -0.617  -0.617
  103   2HD1  LEU  14          HD12      LEU  14 -15.253   0.447   0.447
  104   3HD1  LEU  14          HD11      LEU  14 -15.529   0.054   0.054
  105   1HD2  LEU  14          HD21      LEU  14 -16.943   3.483   3.483
  106   2HD2  LEU  14          HD23      LEU  14 -15.566   3.065   3.065
  107   3HD2  LEU  14          HD22      LEU  14 -15.623   2.514   2.514
  108    H    SER  15           HN       SER  15 -17.399  -0.692  -0.692
  109    HA   SER  15           HA       SER  15 -14.657  -0.437  -0.437
  110   1HB   SER  15           HB2      SER  15 -16.072  -2.563  -2.563
  111   2HB   SER  15           HB1      SER  15 -16.270  -2.574  -2.574
  112    HG   SER  15           HG       SER  15 -13.793  -2.309  -2.309
  113    H    GLY  16           HN       GLY  16 -17.261   0.133   0.133
  114   1HA   GLY  16           HA2      GLY  16 -15.727  -0.065  -0.065
  115   2HA   GLY  16           HA1      GLY  16 -17.310   0.678   0.678
  116    H    ALA  17           HN       ALA  17 -16.913   2.729   2.729
  117    HA   ALA  17           HA       ALA  17 -15.569   4.628   4.628
  118   1HB   ALA  17           HB1      ALA  17 -16.902   4.835   4.835
  119   2HB   ALA  17           HB3      ALA  17 -16.143   6.212   6.212
  120   3HB   ALA  17           HB2      ALA  17 -17.502   5.389   5.389
  121    H    ALA  18           HN       ALA  18 -14.924   3.313   3.313
  122    HA   ALA  18           HA       ALA  18 -12.678   4.781   4.781
  123   1HB   ALA  18           HB1      ALA  18 -14.041   2.719   2.719
  124   2HB   ALA  18           HB3      ALA  18 -12.498   1.960   1.960
  125   3HB   ALA  18           HB2      ALA  18 -12.540   3.409   3.409
  126    H    ALA  19           HN       ALA  19 -12.929   1.885   1.885
  127    HA   ALA  19           HA       ALA  19 -10.113   1.575   1.575
  128   1HB   ALA  19           HB3      ALA  19 -11.883  -0.223  -0.223
  129   2HB   ALA  19           HB2      ALA  19 -12.223   0.471   0.471
  130   3HB   ALA  19           HB1      ALA  19 -10.622  -0.181  -0.181
  131    H    ARG  20           HN       ARG  20 -12.698   3.049   3.049
  132    HA   ARG  20           HA       ARG  20 -11.157   3.629   3.629
  133   1HB   ARG  20           HB2      ARG  20 -12.978   4.822   4.822
  134   2HB   ARG  20           HB1      ARG  20 -13.740   3.766   3.766
  135   1HG   ARG  20           HG1      ARG  20 -14.617   5.575   5.575
  136   2HG   ARG  20           HG2      ARG  20 -12.993   6.016   6.016
  137   1HD   ARG  20           HD1      ARG  20 -13.050   7.798   7.798
  138   2HD   ARG  20           HD2      ARG  20 -13.237   6.749   6.749
  139    HE   ARG  20           HE       ARG  20 -15.714   7.150   7.150
  140   1HH1  ARG  20          HH11      ARG  20 -13.447   8.649   8.649
  141   2HH1  ARG  20          HH12      ARG  20 -14.640   9.643   9.643
  142   1HH2  ARG  20          HH21      ARG  20 -17.295   8.457   8.457
  143   2HH2  ARG  20          HH22      ARG  20 -16.829   9.535   9.535
  144    H    GLY  21           HN       GLY  21 -11.263   5.070   5.070
  145   1HA   GLY  21           HA1      GLY  21  -9.870   6.663   6.663
  146   2HA   GLY  21           HA2      GLY  21  -9.068   6.797   6.797
  147    H    ASP  22           HN       ASP  22 -12.304   7.534   7.534
  148    HA   ASP  22           HA       ASP  22 -12.196  10.094  10.094
  149   1HB   ASP  22           HB2      ASP  22 -14.149   9.245   9.245
  150   2HB   ASP  22           HB1      ASP  22 -14.786   9.862   9.862
  151    H    VAL  23           HN       VAL  23 -11.082  11.269  11.269
  152    HA   VAL  23           HA       VAL  23 -11.512  11.256  11.256
  153    HB   VAL  23           HB       VAL  23  -9.663  12.497  12.497
  154   1HG1  VAL  23          HG13      VAL  23 -10.813  13.173  13.173
  155   2HG1  VAL  23          HG12      VAL  23 -11.637  14.437  14.437
  156   3HG1  VAL  23          HG11      VAL  23  -9.881  14.466  14.466
  157   1HG2  VAL  23          HG21      VAL  23 -11.004  13.302  13.302
  158   2HG2  VAL  23          HG23      VAL  23  -9.684  14.275  14.275
  159   3HG2  VAL  23          HG22      VAL  23 -11.355  14.700  14.700
  160    H    GLN  24           HN       GLN  24 -13.487  12.483  12.483
  161    HA   GLN  24           HA       GLN  24 -15.055  14.263  14.263
  162   1HB   GLN  24           HB1      GLN  24 -15.647  13.019  13.019
  163   2HB   GLN  24           HB2      GLN  24 -16.570  14.318  14.318
  164   1HG   GLN  24           HG1      GLN  24 -14.809  15.851  15.851
  165   2HG   GLN  24           HG2      GLN  24 -13.637  14.576  14.576
  166   1HE2  GLN  24          HE22      GLN  24 -16.155  15.885  15.885
  167   2HE2  GLN  24          HE21      GLN  24 -16.547  16.117  16.117
  168    H    GLU  25           HN       GLU  25 -15.815  11.153  11.153
  169    HA   GLU  25           HA       GLU  25 -18.203  10.788  10.788
  170   1HB   GLU  25           HB2      GLU  25 -16.767   8.594   8.594
  171   2HB   GLU  25           HB1      GLU  25 -18.493   8.790   8.790
  172   1HG   GLU  25           HG2      GLU  25 -16.785  10.505  10.505
  173   2HG   GLU  25           HG1      GLU  25 -17.875   9.222   9.222
  174    H    VAL  26           HN       VAL  26 -14.869   9.838   9.838
  175    HA   VAL  26           HA       VAL  26 -15.113   7.658   7.658
  176    HB   VAL  26           HB       VAL  26 -12.969   8.775   8.775
  177   1HG1  VAL  26          HG13      VAL  26 -13.351  10.969  10.969
  178   2HG1  VAL  26          HG12      VAL  26 -13.214  10.242  10.242
  179   3HG1  VAL  26          HG11      VAL  26 -11.822  10.261  10.261
  180   1HG2  VAL  26          HG23      VAL  26 -13.447   6.922   6.922
  181   2HG2  VAL  26          HG22      VAL  26 -11.882   7.270   7.270
  182   3HG2  VAL  26          HG21      VAL  26 -12.339   8.053   8.053
  183    H    ARG  27           HN       ARG  27 -15.021  11.096  11.096
  184    HA   ARG  27           HA       ARG  27 -15.572  10.522  10.522
  185   1HB   ARG  27           HB2      ARG  27 -16.066  13.214  13.214
  186   2HB   ARG  27           HB1      ARG  27 -15.407  12.806  12.806
  187   1HG   ARG  27           HG1      ARG  27 -13.338  12.029  12.029
  188   2HG   ARG  27           HG2      ARG  27 -14.003  12.593  12.593
  189   1HD   ARG  27           HD2      ARG  27 -12.763  14.419  14.419
  190   2HD   ARG  27           HD1      ARG  27 -14.316  14.835  14.835
  191    HE   ARG  27           HE       ARG  27 -12.577  13.396  13.396
  192   1HH1  ARG  27          HH11      ARG  27 -13.420  16.535  16.535
  193   2HH1  ARG  27          HH12      ARG  27 -12.810  17.390  17.390
  194   1HH2  ARG  27          HH21      ARG  27 -11.772  14.512  14.512
  195   2HH2  ARG  27          HH22      ARG  27 -11.875  16.240  16.240
  196    H    ARG  28           HN       ARG  28 -17.449  11.954  11.954
  197    HA   ARG  28           HA       ARG  28 -19.846  12.372  12.372
  198   1HB   ARG  28           HB2      ARG  28 -18.918  12.364  12.364
  199   2HB   ARG  28           HB1      ARG  28 -20.398  11.416  11.416
  200   1HG   ARG  28           HG1      ARG  28 -21.539  13.303  13.303
  201   2HG   ARG  28           HG2      ARG  28 -20.918  13.697  13.697
  202   1HD   ARG  28           HD2      ARG  28 -19.025  14.838  14.838
  203   2HD   ARG  28           HD1      ARG  28 -19.513  14.345  14.345
  204    HE   ARG  28           HE       ARG  28 -21.644  15.747  15.747
  205   1HH1  ARG  28          HH11      ARG  28 -18.307  16.364  16.364
  206   2HH1  ARG  28          HH12      ARG  28 -18.560  18.043  18.043
  207   1HH2  ARG  28          HH21      ARG  28 -21.991  17.956  17.956
  208   2HH2  ARG  28          HH22      ARG  28 -20.657  18.949  18.949
  209    H    LEU  29           HN       LEU  29 -18.562   9.409   9.409
  210    HA   LEU  29           HA       LEU  29 -20.970   7.923   7.923
  211   1HB   LEU  29           HB1      LEU  29 -18.141   7.254   7.254
  212   2HB   LEU  29           HB2      LEU  29 -19.224   5.964   5.964
  213    HG   LEU  29           HG       LEU  29 -20.034   7.834   7.834
  214   1HD1  LEU  29          HD12      LEU  29 -17.670   6.815   6.815
  215   2HD1  LEU  29          HD11      LEU  29 -18.552   5.312   5.312
  216   3HD1  LEU  29          HD13      LEU  29 -18.851   6.712   6.712
  217   1HD2  LEU  29          HD23      LEU  29 -20.908   5.280   5.280
  218   2HD2  LEU  29          HD22      LEU  29 -21.817   6.501   6.501
  219   3HD2  LEU  29          HD21      LEU  29 -20.847   5.314   5.314
  220    H    LEU  30           HN       LEU  30 -17.851   7.208   7.208
  221    HA   LEU  30           HA       LEU  30 -19.184   5.909   5.909
  222   1HB   LEU  30           HB2      LEU  30 -17.207   4.908   4.908
  223   2HB   LEU  30           HB1      LEU  30 -16.529   6.119   6.119
  224    HG   LEU  30           HG       LEU  30 -16.234   7.543   7.543
  225   1HD1  LEU  30          HD21      LEU  30 -17.621   5.469   5.469
  226   2HD1  LEU  30          HD23      LEU  30 -15.949   5.139   5.139
  227   3HD1  LEU  30          HD22      LEU  30 -16.680   6.693   6.693
  228   1HD2  LEU  30          HD13      LEU  30 -14.394   6.510   6.510
  229   2HD2  LEU  30          HD12      LEU  30 -14.090   6.505   6.505
  230   3HD2  LEU  30          HD11      LEU  30 -14.605   5.025   5.025
  231    H    HIS  31           HN       HIS  31 -17.537   9.037   9.037
  232    HA   HIS  31           HA       HIS  31 -17.829   9.710   9.710
  233   1HB   HIS  31           HB2      HIS  31 -16.350  10.710  10.710
  234   2HB   HIS  31           HB1      HIS  31 -17.561  11.965  11.965
  235    HD2  HIS  31           HD2      HIS  31 -14.586  12.770  12.770
  236    HE1  HIS  31           HE1      HIS  31 -15.763  12.061  12.061
  237    HE2  HIS  31           HE2      HIS  31 -14.130  13.287  13.287
  238    H    ARG  32           HN       ARG  32 -20.141   9.389   9.389
  239    HA   ARG  32           HA       ARG  32 -21.913  11.244  11.244
  240   1HB   ARG  32           HB2      ARG  32 -21.011  11.734  11.734
  241   2HB   ARG  32           HB1      ARG  32 -22.600  11.022  11.022
  242   1HG   ARG  32           HG2      ARG  32 -22.416  13.129  13.129
  243   2HG   ARG  32           HG1      ARG  32 -22.194  13.638  13.638
  244   1HD   ARG  32           HD1      ARG  32 -24.347  12.075  12.075
  245   2HD   ARG  32           HD2      ARG  32 -24.598  12.586  12.586
  246    HE   ARG  32           HE       ARG  32 -24.010  14.852  14.852
  247   1HH1  ARG  32          HH21      ARG  32 -26.515  12.454  12.454
  248   2HH1  ARG  32          HH22      ARG  32 -27.779  13.518  13.518
  249   1HH2  ARG  32          HH11      ARG  32 -25.668  16.263  16.263
  250   2HH2  ARG  32          HH12      ARG  32 -27.298  15.683  15.683
  251    H    GLU  33           HN       GLU  33 -22.123   8.879   8.879
  252    HA   GLU  33           HA       GLU  33 -24.687   7.966   7.966
  253   1HB   GLU  33           HB1      GLU  33 -23.845   7.604   7.604
  254   2HB   GLU  33           HB2      GLU  33 -22.524   6.628   6.628
  255   1HG   GLU  33           HG1      GLU  33 -24.788   5.381   5.381
  256   2HG   GLU  33           HG2      GLU  33 -25.220   5.863   5.863
  257    H    LEU  34           HN       LEU  34 -21.723   7.484   7.484
  258    HA   LEU  34           HA       LEU  34 -20.974   6.108   6.108
  259   1HB   LEU  34           HB1      LEU  34 -23.466   6.944   6.944
  260   2HB   LEU  34           HB2      LEU  34 -23.667   5.203   5.203
  261    HG   LEU  34           HG       LEU  34 -21.524   5.249   5.249
  262   1HD1  LEU  34          HD22      LEU  34 -22.027   8.073   8.073
  263   2HD1  LEU  34          HD21      LEU  34 -21.967   7.654   7.654
  264   3HD1  LEU  34          HD23      LEU  34 -20.606   7.265   7.265
  265   1HD2  LEU  34          HD11      LEU  34 -24.247   5.299   5.299
  266   2HD2  LEU  34          HD13      LEU  34 -22.950   4.824   4.824
  267   3HD2  LEU  34          HD12      LEU  34 -23.544   6.486   6.486
  268    H    VAL  35           HN       VAL  35 -20.252   4.701   4.701
  269    HA   VAL  35           HA       VAL  35 -21.762   2.213   2.213
  270    HB   VAL  35           HB       VAL  35 -19.962   1.758   1.758
  271   1HG1  VAL  35          HG12      VAL  35 -22.199   3.734   3.734
  272   2HG1  VAL  35          HG11      VAL  35 -21.240   3.276   3.276
  273   3HG1  VAL  35          HG13      VAL  35 -22.151   2.053   2.053
  274   1HG2  VAL  35          HG23      VAL  35 -18.858   4.044   4.044
  275   2HG2  VAL  35          HG22      VAL  35 -18.542   3.368   3.368
  276   3HG2  VAL  35          HG21      VAL  35 -19.748   4.641   4.641
  277    H    HIS  36           HN       HIS  36 -20.693   0.179   0.179
  278    HA   HIS  36           HA       HIS  36 -18.875   0.119   0.119
  279   1HB   HIS  36           HB1      HIS  36 -20.747  -1.618  -1.618
  280   2HB   HIS  36           HB2      HIS  36 -19.252  -2.378  -2.378
  281    HD2  HIS  36           HD2      HIS  36 -21.399  -2.054  -2.054
  282    HE1  HIS  36           HE1      HIS  36 -17.689  -3.706  -3.706
  283    HE2  HIS  36           HE2      HIS  36 -20.115  -3.359  -3.359
  284    HA   PRO  37           HA       PRO  37 -15.190   0.248   0.248
  285   1HB   PRO  37           HB1      PRO  37 -13.409  -0.022  -0.022
  286   2HB   PRO  37           HB2      PRO  37 -14.306   1.477   1.477
  287   1HG   PRO  37           HG1      PRO  37 -14.825  -0.719  -0.719
  288   2HG   PRO  37           HG2      PRO  37 -14.890   1.037   1.037
  289   1HD   PRO  37           HD2      PRO  37 -17.105  -0.500  -0.500
  290   2HD   PRO  37           HD1      PRO  37 -17.001   1.204   1.204
  291    H    ASP  38           HN       ASP  38 -16.545  -2.396  -2.396
  292    HA   ASP  38           HA       ASP  38 -14.315  -4.160  -4.160
  293   1HB   ASP  38           HB1      ASP  38 -16.522  -5.293  -5.293
  294   2HB   ASP  38           HB2      ASP  38 -15.556  -4.063  -4.063
  295    H    ALA  39           HN       ALA  39 -15.641  -3.346  -3.346
  296    HA   ALA  39           HA       ALA  39 -17.695  -5.360  -5.360
  297   1HB   ALA  39           HB3      ALA  39 -17.295  -2.598  -2.598
  298   2HB   ALA  39           HB2      ALA  39 -17.562  -3.649  -3.649
  299   3HB   ALA  39           HB1      ALA  39 -18.746  -3.598  -3.598
  300    H    LEU  40           HN       LEU  40 -17.645  -5.914  -5.914
  301    HA   LEU  40           HA       LEU  40 -14.910  -6.392  -6.392
  302   1HB   LEU  40           HB1      LEU  40 -16.941  -8.496  -8.496
  303   2HB   LEU  40           HB2      LEU  40 -15.749  -8.781  -8.781
  304    HG   LEU  40           HG       LEU  40 -14.108  -7.996  -7.996
  305   1HD1  LEU  40          HD22      LEU  40 -16.643  -8.518  -8.518
  306   2HD1  LEU  40          HD21      LEU  40 -15.384  -9.602  -9.602
  307   3HD1  LEU  40          HD23      LEU  40 -15.155  -7.856  -7.856
  308   1HD2  LEU  40          HD12      LEU  40 -14.713 -10.347 -10.347
  309   2HD2  LEU  40          HD11      LEU  40 -13.329 -10.062 -10.062
  310   3HD2  LEU  40          HD13      LEU  40 -14.801 -10.781 -10.781
  311    H    ASN  41           HN       ASN  41 -15.282  -7.870  -7.870
  312    HA   ASN  41           HA       ASN  41 -17.513  -6.846  -6.846
  313   1HB   ASN  41           HB2      ASN  41 -16.018  -5.941  -5.941
  314   2HB   ASN  41           HB1      ASN  41 -15.927  -5.039  -5.039
  315   1HD2  ASN  41          HD22      ASN  41 -12.536  -5.808  -5.808
  316   2HD2  ASN  41          HD21      ASN  41 -13.998  -5.217  -5.217
  317    H    ARG  42           HN       ARG  42 -17.464  -7.744  -7.744
  318    HA   ARG  42           HA       ARG  42 -17.594 -10.403 -10.403
  319   1HB   ARG  42           HB2      ARG  42 -16.758 -10.153 -10.153
  320   2HB   ARG  42           HB1      ARG  42 -18.239  -9.347  -9.347
  321   1HG   ARG  42           HG1      ARG  42 -17.054  -7.775  -7.775
  322   2HG   ARG  42           HG2      ARG  42 -16.824  -7.290  -7.290
  323   1HD   ARG  42           HD2      ARG  42 -14.614  -7.647  -7.647
  324   2HD   ARG  42           HD1      ARG  42 -14.794  -9.149  -9.149
  325    HE   ARG  42           HE       ARG  42 -15.337  -6.953  -6.953
  326   1HH1  ARG  42          HH11      ARG  42 -12.697  -8.558  -8.558
  327   2HH1  ARG  42          HH12      ARG  42 -11.516  -8.062  -8.062
  328   1HH2  ARG  42          HH21      ARG  42 -13.791  -6.292  -6.292
  329   2HH2  ARG  42          HH22      ARG  42 -12.138  -6.773  -6.773
  330    H    PHE  43           HN       PHE  43 -14.617  -8.572  -8.572
  331    HA   PHE  43           HA       PHE  43 -12.900 -10.683 -10.683
  332   1HB   PHE  43           HB2      PHE  43 -12.592  -7.993  -7.993
  333   2HB   PHE  43           HB1      PHE  43 -11.739  -8.675  -8.675
  334    HD1  PHE  43           HD1      PHE  43 -10.629 -11.144 -11.144
  335    HD2  PHE  43           HD2      PHE  43 -10.896  -7.190  -7.190
  336    HE1  PHE  43           HE1      PHE  43  -8.666 -11.582 -11.582
  337    HE2  PHE  43           HE2      PHE  43  -8.934  -7.621  -7.621
  338    HZ   PHE  43           HZ       PHE  43  -7.817  -9.825  -9.825
  339    H    GLY  44           HN       GLY  44 -13.800  -9.387  -9.387
  340   1HA   GLY  44           HA2      GLY  44 -14.220 -10.955 -10.955
  341   2HA   GLY  44           HA1      GLY  44 -12.931 -11.957 -11.957
  342    H    LYS  45           HN       LYS  45 -12.295  -8.607  -8.607
  343    HA   LYS  45           HA       LYS  45 -10.429  -8.956  -8.956
  344   1HB   LYS  45           HB1      LYS  45 -10.458  -6.708  -6.708
  345   2HB   LYS  45           HB2      LYS  45  -9.156  -7.151  -7.151
  346   1HG   LYS  45           HG2      LYS  45  -8.561  -9.010  -9.010
  347   2HG   LYS  45           HG1      LYS  45 -10.124  -9.079  -9.079
  348   1HD   LYS  45           HD2      LYS  45  -9.108  -8.043  -8.043
  349   2HD   LYS  45           HD1      LYS  45  -9.170  -6.594  -6.594
  350   1HE   LYS  45           HE1      LYS  45  -6.961  -6.869  -6.869
  351   2HE   LYS  45           HE2      LYS  45  -6.906  -8.552  -8.552
  352   1HZ   LYS  45           HZ3      LYS  45  -7.407  -7.233  -7.233
  353   2HZ   LYS  45           HZ2      LYS  45  -6.392  -6.145  -6.145
  354   3HZ   LYS  45           HZ1      LYS  45  -5.874  -7.729  -7.729
  355    H    THR  46           HN       THR  46 -10.005  -6.895  -6.895
  356    HA   THR  46           HA       THR  46 -12.553  -5.958  -5.958
  357    HB   THR  46           HB       THR  46 -10.321  -4.712  -4.712
  358    HG1  THR  46           HG1      THR  46  -9.330  -6.709  -6.709
  359   1HG2  THR  46          HG21      THR  46 -12.553  -6.468  -6.468
  360   2HG2  THR  46          HG23      THR  46 -11.122  -6.633  -6.633
  361   3HG2  THR  46          HG22      THR  46 -11.897  -5.060  -5.060
  362    H    ALA  47           HN       ALA  47 -12.689  -3.590  -3.590
  363    HA   ALA  47           HA       ALA  47 -12.641  -1.990  -1.990
  364   1HB   ALA  47           HB2      ALA  47 -14.102  -1.676  -1.676
  365   2HB   ALA  47           HB1      ALA  47 -12.707  -0.964  -0.964
  366   3HB   ALA  47           HB3      ALA  47 -13.373  -0.201  -0.201
  367    H    LEU  48           HN       LEU  48 -10.589  -1.792  -1.792
  368    HA   LEU  48           HA       LEU  48  -8.866   0.190   0.190
  369   1HB   LEU  48           HB2      LEU  48  -9.211  -1.132  -1.132
  370   2HB   LEU  48           HB1      LEU  48  -7.591  -1.568  -1.568
  371    HG   LEU  48           HG       LEU  48  -8.667   1.216   1.216
  372   1HD1  LEU  48          HD11      LEU  48  -6.548  -0.411  -0.411
  373   2HD1  LEU  48          HD13      LEU  48  -6.878   1.294   1.294
  374   3HD1  LEU  48          HD12      LEU  48  -8.110   0.080   0.080
  375   1HD2  LEU  48          HD21      LEU  48  -7.055   0.847   0.847
  376   2HD2  LEU  48          HD23      LEU  48  -6.701   2.126   2.126
  377   3HD2  LEU  48          HD22      LEU  48  -5.836   0.593   0.593
  378    H    GLN  49           HN       GLN  49  -8.788  -3.325  -3.325
  379    HA   GLN  49           HA       GLN  49  -6.188  -3.780  -3.780
  380   1HB   GLN  49           HB2      GLN  49  -7.670  -5.607  -5.607
  381   2HB   GLN  49           HB1      GLN  49  -8.720  -5.226  -5.226
  382   1HG   GLN  49           HG2      GLN  49  -7.490  -7.068  -7.068
  383   2HG   GLN  49           HG1      GLN  49  -6.704  -5.690  -5.690
  384   1HE2  GLN  49          HE22      GLN  49  -4.804  -7.705  -7.705
  385   2HE2  GLN  49          HE21      GLN  49  -6.526  -7.734  -7.734
  386    H    VAL  50           HN       VAL  50  -8.979  -3.701  -3.701
  387    HA   VAL  50           HA       VAL  50  -7.348  -3.352  -3.352
  388    HB   VAL  50           HB       VAL  50  -9.538  -4.408  -4.408
  389   1HG1  VAL  50          HG21      VAL  50 -10.463  -2.660  -2.660
  390   2HG1  VAL  50          HG23      VAL  50 -10.953  -1.810  -1.810
  391   3HG1  VAL  50          HG22      VAL  50 -11.526  -3.451  -3.451
  392   1HG2  VAL  50          HG11      VAL  50  -8.515  -3.132  -3.132
  393   2HG2  VAL  50          HG13      VAL  50 -10.257  -3.389  -3.389
  394   3HG2  VAL  50          HG12      VAL  50  -9.623  -1.817  -1.817
  395    H    MET  51           HN       MET  51  -8.802  -1.186  -1.186
  396    HA   MET  51           HA       MET  51  -9.266   1.147   1.147
  397   1HB   MET  51           HB2      MET  51  -9.268   0.912   0.912
  398   2HB   MET  51           HB1      MET  51  -7.513   0.800   0.800
  399   1HG   MET  51           HG1      MET  51  -8.102   3.178   3.178
  400   2HG   MET  51           HG2      MET  51  -9.196   3.122   3.122
  401   1HE   MET  51           HE3      MET  51  -5.731   1.381   1.381
  402   2HE   MET  51           HE2      MET  51  -5.384   2.838   2.838
  403   3HE   MET  51           HE1      MET  51  -4.643   2.607   2.607
  404    H    MET  52           HN       MET  52  -8.283   1.934   1.934
  405    HA   MET  52           HA       MET  52  -5.538   1.598   1.598
  406   1HB   MET  52           HB1      MET  52  -5.965   2.729   2.729
  407   2HB   MET  52           HB2      MET  52  -7.568   2.137   2.137
  408   1HG   MET  52           HG1      MET  52  -8.133   4.312   4.312
  409   2HG   MET  52           HG2      MET  52  -6.523   4.905   4.905
  410   1HE   MET  52           HE1      MET  52  -7.397   6.847   6.847
  411   2HE   MET  52           HE3      MET  52  -6.304   6.412   6.412
  412   3HE   MET  52           HE2      MET  52  -7.947   6.942   6.942
  413    H    PHE  53           HN       PHE  53  -3.792   2.882   2.882
  414    HA   PHE  53           HA       PHE  53  -4.046   4.941   4.941
  415   1HB   PHE  53           HB2      PHE  53  -1.617   3.857   3.857
  416   2HB   PHE  53           HB1      PHE  53  -1.564   5.013   5.013
  417    HD1  PHE  53           HD1      PHE  53  -2.954   1.642   1.642
  418    HD2  PHE  53           HD2      PHE  53  -1.244   4.217   4.217
  419    HE1  PHE  53           HE1      PHE  53  -2.938  -0.219  -0.219
  420    HE2  PHE  53           HE2      PHE  53  -1.226   2.357   2.357
  421    HZ   PHE  53           HZ       PHE  53  -2.074   0.139   0.139
  422    H    GLY  54           HN       GLY  54  -5.409   5.801   5.801
  423   1HA   GLY  54           HA1      GLY  54  -3.702   7.498   7.498
  424   2HA   GLY  54           HA2      GLY  54  -5.448   7.345   7.345
  425    H    SER  55           HN       SER  55  -6.605   8.168   8.168
  426    HA   SER  55           HA       SER  55  -5.575  10.869  10.869
  427   1HB   SER  55           HB1      SER  55  -8.316   9.841   9.841
  428   2HB   SER  55           HB2      SER  55  -7.792  11.516  11.516
  429    HG   SER  55           HG       SER  55  -8.883   9.996   9.996
  430    HA   PRO  56           HA       PRO  56  -4.031   9.391   9.391
  431   1HB   PRO  56           HB1      PRO  56  -4.026  12.352  12.352
  432   2HB   PRO  56           HB2      PRO  56  -2.760  11.171  11.171
  433   1HG   PRO  56           HG1      PRO  56  -2.611  12.751  12.751
  434   2HG   PRO  56           HG2      PRO  56  -2.086  11.059  11.059
  435   1HD   PRO  56           HD1      PRO  56  -4.552  12.324  12.324
  436   2HD   PRO  56           HD2      PRO  56  -3.602  10.960  10.960
  437    H    ALA  57           HN       ALA  57  -6.680  11.548  11.548
  438    HA   ALA  57           HA       ALA  57  -7.661  11.859  11.859
  439   1HB   ALA  57           HB1      ALA  57  -8.309  12.911  12.911
  440   2HB   ALA  57           HB3      ALA  57  -9.673  11.830  11.830
  441   3HB   ALA  57           HB2      ALA  57  -9.283  13.079  13.079
  442    H    VAL  58           HN       VAL  58  -8.428   9.432   9.432
  443    HA   VAL  58           HA       VAL  58 -10.499   8.189   8.189
  444    HB   VAL  58           HB       VAL  58 -10.323   7.650   7.650
  445   1HG1  VAL  58          HG21      VAL  58  -7.461   7.255   7.255
  446   2HG1  VAL  58          HG23      VAL  58  -8.157   6.206   6.206
  447   3HG1  VAL  58          HG22      VAL  58  -8.229   7.958   7.958
  448   1HG2  VAL  58          HG12      VAL  58 -10.862   5.791   5.791
  449   2HG2  VAL  58          HG11      VAL  58 -10.440   5.316   5.316
  450   3HG2  VAL  58          HG13      VAL  58  -9.247   5.177   5.177
  451    H    ALA  59           HN       ALA  59  -7.008   7.766   7.766
  452    HA   ALA  59           HA       ALA  59  -6.956   5.418   5.418
  453   1HB   ALA  59           HB1      ALA  59  -4.998   7.550   7.550
  454   2HB   ALA  59           HB3      ALA  59  -4.628   6.479   6.479
  455   3HB   ALA  59           HB2      ALA  59  -4.904   5.809   5.809
  456    H    LEU  60           HN       LEU  60  -6.648   8.835   8.835
  457    HA   LEU  60           HA       LEU  60  -6.504   8.414   8.414
  458   1HB   LEU  60           HB1      LEU  60  -5.941  10.521  10.521
  459   2HB   LEU  60           HB2      LEU  60  -7.659  10.861  10.861
  460    HG   LEU  60           HG       LEU  60  -6.252  10.366  10.366
  461   1HD1  LEU  60          HD12      LEU  60  -5.553  12.444  12.444
  462   2HD1  LEU  60          HD11      LEU  60  -6.330  13.143  13.143
  463   3HD1  LEU  60          HD13      LEU  60  -4.909  12.115  12.115
  464   1HD2  LEU  60          HD23      LEU  60  -8.843  11.110  11.110
  465   2HD2  LEU  60          HD22      LEU  60  -8.217  10.977  10.977
  466   3HD2  LEU  60          HD21      LEU  60  -8.127  12.516  12.516
  467    H    GLU  61           HN       GLU  61  -9.245   9.181   9.181
  468    HA   GLU  61           HA       GLU  61 -11.198   9.348   9.348
  469   1HB   GLU  61           HB2      GLU  61 -11.147   9.745   9.745
  470   2HB   GLU  61           HB1      GLU  61 -12.127   8.292   8.292
  471   1HG   GLU  61           HG1      GLU  61 -12.666  10.799  10.799
  472   2HG   GLU  61           HG2      GLU  61 -13.388  10.453  10.453
  473    H    LEU  62           HN       LEU  62 -10.237   6.610   6.610
  474    HA   LEU  62           HA       LEU  62 -12.113   4.781   4.781
  475   1HB   LEU  62           HB1      LEU  62  -9.570   4.583   4.583
  476   2HB   LEU  62           HB2      LEU  62 -10.165   3.125   3.125
  477    HG   LEU  62           HG       LEU  62 -11.632   4.793   4.793
  478   1HD1  LEU  62          HD11      LEU  62  -9.675   2.882   2.882
  479   2HD1  LEU  62          HD13      LEU  62 -11.179   1.984   1.984
  480   3HD1  LEU  62          HD12      LEU  62 -10.859   3.408   3.408
  481   1HD2  LEU  62          HD21      LEU  62 -12.485   2.464   2.464
  482   2HD2  LEU  62          HD23      LEU  62 -13.330   3.980   3.980
  483   3HD2  LEU  62          HD22      LEU  62 -13.205   2.763   2.763
  484    H    LEU  63           HN       LEU  63  -8.626   5.030   5.030
  485    HA   LEU  63           HA       LEU  63  -8.687   3.205   3.205
  486   1HB   LEU  63           HB2      LEU  63  -6.755   4.766   4.766
  487   2HB   LEU  63           HB1      LEU  63  -6.626   5.169   5.169
  488    HG   LEU  63           HG       LEU  63  -6.777   2.284   2.284
  489   1HD1  LEU  63          HD12      LEU  63  -4.445   3.954   3.954
  490   2HD1  LEU  63          HD11      LEU  63  -4.366   2.213   2.213
  491   3HD1  LEU  63          HD13      LEU  63  -5.434   2.865   2.865
  492   1HD2  LEU  63          HD23      LEU  63  -6.205   3.728   3.728
  493   2HD2  LEU  63          HD22      LEU  63  -5.553   2.114   2.114
  494   3HD2  LEU  63          HD21      LEU  63  -4.576   3.535   3.535
  495    H    LYS  64           HN       LYS  64  -9.416   6.606   6.606
  496    HA   LYS  64           HA       LYS  64  -9.124   7.263   7.263
  497   1HB   LYS  64           HB2      LYS  64  -9.332   9.056   9.056
  498   2HB   LYS  64           HB1      LYS  64 -10.830   8.419   8.419
  499   1HG   LYS  64           HG1      LYS  64 -12.099   9.271   9.271
  500   2HG   LYS  64           HG2      LYS  64 -10.818   9.112   9.112
  501   1HD   LYS  64           HD2      LYS  64 -10.926  11.400  11.400
  502   2HD   LYS  64           HD1      LYS  64  -9.652  10.975  10.975
  503   1HE   LYS  64           HE2      LYS  64 -11.384  10.919  10.919
  504   2HE   LYS  64           HE1      LYS  64 -12.549  11.534  11.534
  505   1HZ   LYS  64           HZ1      LYS  64 -10.185  13.117  13.117
  506   2HZ   LYS  64           HZ3      LYS  64 -10.876  13.024  13.024
  507   3HZ   LYS  64           HZ2      LYS  64 -11.793  13.586  13.586
  508    H    GLN  65           HN       GLN  65 -11.427   5.317   5.317
  509    HA   GLN  65           HA       GLN  65 -13.572   5.708   5.708
  510   1HB   GLN  65           HB1      GLN  65 -13.387   4.620   4.620
  511   2HB   GLN  65           HB2      GLN  65 -13.564   3.191   3.191
  512   1HG   GLN  65           HG2      GLN  65 -15.454   5.475   5.475
  513   2HG   GLN  65           HG1      GLN  65 -15.742   3.745   3.745
  514   1HE2  GLN  65          HE22      GLN  65 -15.988   3.190   3.190
  515   2HE2  GLN  65          HE21      GLN  65 -15.244   2.516   2.516
  516    H    GLY  66           HN       GLY  66 -11.695   2.760   2.760
  517   1HA   GLY  66           HA2      GLY  66 -10.604   2.157   2.157
  518   2HA   GLY  66           HA1      GLY  66 -12.283   1.697   1.697
  519    H    ALA  67           HN       ALA  67 -10.418   1.424   1.424
  520    HA   ALA  67           HA       ALA  67 -11.149  -1.351  -1.351
  521   1HB   ALA  67           HB3      ALA  67 -11.039   0.244   0.244
  522   2HB   ALA  67           HB2      ALA  67  -9.282   0.213   0.213
  523   3HB   ALA  67           HB1      ALA  67 -10.160  -1.265  -1.265
  524    H    SER  68           HN       SER  68  -8.840  -2.336  -2.336
  525    HA   SER  68           HA       SER  68  -6.911  -2.476  -2.476
  526   1HB   SER  68           HB2      SER  68  -8.025  -4.699  -4.699
  527   2HB   SER  68           HB1      SER  68  -6.527  -4.878  -4.878
  528    HG   SER  68           HG       SER  68  -8.793  -5.414  -5.414
  529    HA   PRO  69           HA       PRO  69  -4.123  -1.219  -1.219
  530   1HB   PRO  69           HB1      PRO  69  -1.899  -1.058  -1.058
  531   2HB   PRO  69           HB2      PRO  69  -3.194   0.142   0.142
  532   1HG   PRO  69           HG1      PRO  69  -2.618  -2.192  -2.192
  533   2HG   PRO  69           HG2      PRO  69  -3.072  -0.534  -0.534
  534   1HD   PRO  69           HD1      PRO  69  -4.845  -2.607  -2.607
  535   2HD   PRO  69           HD2      PRO  69  -5.309  -0.922  -0.922
  536    H    ASN  70           HN       ASN  70  -3.933  -4.080  -4.080
  537    HA   ASN  70           HA       ASN  70  -1.942  -5.217  -5.217
  538   1HB   ASN  70           HB1      ASN  70  -2.575  -6.508  -6.508
  539   2HB   ASN  70           HB2      ASN  70  -1.075  -6.526  -6.526
  540   1HD2  ASN  70          HD22      ASN  70  -0.638  -4.412  -4.412
  541   2HD2  ASN  70          HD21      ASN  70  -1.094  -6.052  -6.052
  542    H    VAL  71           HN       VAL  71  -3.755  -5.575  -5.575
  543    HA   VAL  71           HA       VAL  71  -5.339  -7.947  -7.947
  544    HB   VAL  71           HB       VAL  71  -7.104  -7.244  -7.244
  545   1HG1  VAL  71          HG12      VAL  71  -7.067  -6.165  -6.165
  546   2HG1  VAL  71          HG11      VAL  71  -6.100  -4.845  -4.845
  547   3HG1  VAL  71          HG13      VAL  71  -7.754  -5.091  -5.091
  548   1HG2  VAL  71          HG22      VAL  71  -5.057  -5.866  -5.866
  549   2HG2  VAL  71          HG21      VAL  71  -6.742  -6.087  -6.087
  550   3HG2  VAL  71          HG23      VAL  71  -6.270  -4.678  -4.678
  551    H    GLN  72           HN       GLN  72  -5.684  -9.544  -9.544
  552    HA   GLN  72           HA       GLN  72  -3.930  -9.381  -9.381
  553   1HB   GLN  72           HB2      GLN  72  -4.169 -11.936 -11.936
  554   2HB   GLN  72           HB1      GLN  72  -2.950 -11.475 -11.475
  555   1HG   GLN  72           HG2      GLN  72  -1.978  -9.908  -9.908
  556   2HG   GLN  72           HG1      GLN  72  -3.254 -10.234 -10.234
  557   1HE2  GLN  72          HE22      GLN  72   0.006 -12.242 -12.242
  558   2HE2  GLN  72          HE21      GLN  72  -0.217 -10.628 -10.628
  559    H    ASP  73           HN       ASP  73  -4.473 -10.956 -10.956
  560    HA   ASP  73           HA       ASP  73  -7.334 -11.661 -11.661
  561   1HB   ASP  73           HB2      ASP  73  -5.633 -10.811 -10.811
  562   2HB   ASP  73           HB1      ASP  73  -6.908  -9.866  -9.866
  563    H    ALA  74           HN       ALA  74  -6.289 -13.649 -13.649
  564    HA   ALA  74           HA       ALA  74  -5.382 -15.769 -15.769
  565   1HB   ALA  74           HB2      ALA  74  -7.626 -15.518 -15.518
  566   2HB   ALA  74           HB1      ALA  74  -6.681 -17.006 -17.006
  567   3HB   ALA  74           HB3      ALA  74  -7.485 -16.504 -16.504
  568    H    SER  75           HN       SER  75  -3.640 -13.979 -13.979
  569    HA   SER  75           HA       SER  75  -2.349 -15.774 -15.774
  570   1HB   SER  75           HB1      SER  75  -3.098 -12.943 -12.943
  571   2HB   SER  75           HB2      SER  75  -2.008 -13.979 -13.979
  572    HG   SER  75           HG       SER  75  -3.847 -14.472 -14.472
  573    H    GLY  76           HN       GLY  76  -2.266 -12.644 -12.644
  574   1HA   GLY  76           HA1      GLY  76  -0.457 -12.268 -12.268
  575   2HA   GLY  76           HA2      GLY  76   0.614 -13.100 -13.100
  576    H    THR  77           HN       THR  77  -1.557 -10.276 -10.276
  577    HA   THR  77           HA       THR  77   0.526  -8.517  -8.517
  578    HB   THR  77           HB       THR  77  -1.188  -7.910  -7.910
  579    HG1  THR  77           HG1      THR  77  -2.243  -9.996  -9.996
  580   1HG2  THR  77          HG22      THR  77   1.350  -9.409  -9.409
  581   2HG2  THR  77          HG21      THR  77   0.444  -9.506  -9.506
  582   3HG2  THR  77          HG23      THR  77   0.946  -7.937  -7.937
  583    H    SER  78           HN       SER  78   0.086  -7.002  -7.002
  584    HA   SER  78           HA       SER  78  -2.692  -6.158  -6.158
  585   1HB   SER  78           HB2      SER  78  -0.750  -4.849  -4.849
  586   2HB   SER  78           HB1      SER  78  -2.144  -5.837  -5.837
  587    HG   SER  78           HG       SER  78   0.522  -6.581  -6.581
  588    HA   PRO  79           HA       PRO  79  -2.564  -2.160  -2.160
  589   1HB   PRO  79           HB1      PRO  79  -2.440  -0.911  -0.911
  590   2HB   PRO  79           HB2      PRO  79  -3.534  -0.571  -0.571
  591   1HG   PRO  79           HG1      PRO  79  -4.362  -1.987  -1.987
  592   2HG   PRO  79           HG2      PRO  79  -4.871  -2.415  -2.415
  593   1HD   PRO  79           HD2      PRO  79  -2.872  -3.738  -3.738
  594   2HD   PRO  79           HD1      PRO  79  -3.971  -4.453  -4.453
  595    H    VAL  80           HN       VAL  80  -0.401  -2.413  -2.413
  596    HA   VAL  80           HA       VAL  80   1.376  -0.379  -0.379
  597    HB   VAL  80           HB       VAL  80   2.901  -1.371  -1.371
  598   1HG1  VAL  80          HG23      VAL  80   0.294  -0.784  -0.784
  599   2HG1  VAL  80          HG22      VAL  80   0.558  -2.347  -2.347
  600   3HG1  VAL  80          HG21      VAL  80   1.620  -0.990  -0.990
  601   1HG2  VAL  80          HG11      VAL  80   2.733  -3.669  -3.669
  602   2HG2  VAL  80          HG13      VAL  80   2.843  -3.622  -3.622
  603   3HG2  VAL  80          HG12      VAL  80   1.287  -3.906  -3.906
  604    H    HIS  81           HN       HIS  81   1.170  -3.713  -3.713
  605    HA   HIS  81           HA       HIS  81   3.724  -3.814  -3.814
  606   1HB   HIS  81           HB2      HIS  81   1.221  -5.468  -5.468
  607   2HB   HIS  81           HB1      HIS  81   2.635  -5.773  -5.773
  608    HD2  HIS  81           HD2      HIS  81   4.559  -7.285  -7.285
  609    HE1  HIS  81           HE1      HIS  81   2.979  -7.231  -7.231
  610    HE2  HIS  81           HE2      HIS  81   4.653  -8.330  -8.330
  611    H    ASP  82           HN       ASP  82   0.479  -3.690  -3.690
  612    HA   ASP  82           HA       ASP  82   1.285  -3.189  -3.189
  613   1HB   ASP  82           HB1      ASP  82  -1.169  -3.186  -3.186
  614   2HB   ASP  82           HB2      ASP  82  -1.113  -1.713  -1.713
  615    H    ALA  83           HN       ALA  83   0.486  -0.827  -0.827
  616    HA   ALA  83           HA       ALA  83   0.776   1.510   1.510
  617   1HB   ALA  83           HB3      ALA  83   0.272   0.928   0.928
  618   2HB   ALA  83           HB2      ALA  83   1.896   1.605   1.605
  619   3HB   ALA  83           HB1      ALA  83   0.599   2.551   2.551
  620    H    ALA  84           HN       ALA  84   3.225  -0.676  -0.676
  621    HA   ALA  84           HA       ALA  84   5.430   1.114   1.114
  622   1HB   ALA  84           HB3      ALA  84   5.399  -0.981  -0.981
  623   2HB   ALA  84           HB2      ALA  84   5.515  -1.893  -1.893
  624   3HB   ALA  84           HB1      ALA  84   6.816  -0.799  -0.799
  625    H    ARG  85           HN       ARG  85   4.565  -1.701  -1.701
  626    HA   ARG  85           HA       ARG  85   6.313  -0.900  -0.900
  627   1HB   ARG  85           HB2      ARG  85   4.058  -2.852  -2.852
  628   2HB   ARG  85           HB1      ARG  85   5.636  -2.844  -2.844
  629   1HG   ARG  85           HG2      ARG  85   6.601  -3.284  -3.284
  630   2HG   ARG  85           HG1      ARG  85   4.945  -3.634  -3.634
  631   1HD   ARG  85           HD2      ARG  85   5.537  -5.735  -5.735
  632   2HD   ARG  85           HD1      ARG  85   5.050  -5.153  -5.153
  633    HE   ARG  85           HE       ARG  85   7.844  -4.785  -4.785
  634   1HH1  ARG  85          HH21      ARG  85   5.441  -6.764  -6.764
  635   2HH1  ARG  85          HH22      ARG  85   6.582  -7.575  -7.575
  636   1HH2  ARG  85          HH11      ARG  85   9.356  -5.845  -5.845
  637   2HH2  ARG  85          HH12      ARG  85   8.809  -7.052  -7.052
  638    H    THR  86           HN       THR  86   2.951  -0.340  -0.340
  639    HA   THR  86           HA       THR  86   2.143   0.404   0.404
  640    HB   THR  86           HB       THR  86   0.175   1.391   1.391
  641    HG1  THR  86           HG1      THR  86   1.585   1.964   1.964
  642   1HG2  THR  86          HG23      THR  86   1.061  -1.349  -1.349
  643   2HG2  THR  86          HG22      THR  86  -0.422  -0.691  -0.691
  644   3HG2  THR  86          HG21      THR  86  -0.255  -0.836  -0.836
  645    H    GLY  87           HN       GLY  87   4.273   1.868   1.868
  646   1HA   GLY  87           HA1      GLY  87   5.154   3.986   3.986
  647   2HA   GLY  87           HA2      GLY  87   4.757   4.098   4.098
  648    H    PHE  88           HN       PHE  88   3.417   4.541   4.541
  649    HA   PHE  88           HA       PHE  88   2.037   6.925   6.925
  650   1HB   PHE  88           HB2      PHE  88   0.647   4.420   4.420
  651   2HB   PHE  88           HB1      PHE  88  -0.031   5.947   5.947
  652    HD1  PHE  88           HD2      PHE  88  -0.394   7.764   7.764
  653    HD2  PHE  88           HD1      PHE  88   0.051   3.598   3.598
  654    HE1  PHE  88           HE2      PHE  88  -1.508   8.066   8.066
  655    HE2  PHE  88           HE1      PHE  88  -1.061   3.892   3.892
  656    HZ   PHE  88           HZ       PHE  88  -1.842   6.128   6.128
  657    H    LEU  89           HN       LEU  89   4.118   7.140   7.140
  658    HA   LEU  89           HA       LEU  89   4.002   6.746   6.746
  659   1HB   LEU  89           HB1      LEU  89   5.779   7.886   7.886
  660   2HB   LEU  89           HB2      LEU  89   5.159   9.318   9.318
  661    HG   LEU  89           HG       LEU  89   7.269   8.172   8.172
  662   1HD1  LEU  89          HD11      LEU  89   5.966   9.988   9.988
  663   2HD1  LEU  89          HD13      LEU  89   4.991   8.759   8.759
  664   3HD1  LEU  89          HD12      LEU  89   6.716   8.879   8.879
  665   1HD2  LEU  89          HD22      LEU  89   5.904   5.924   5.924
  666   2HD2  LEU  89          HD21      LEU  89   7.086   6.264   6.264
  667   3HD2  LEU  89          HD23      LEU  89   5.367   6.499   6.499
  668    H    ASP  90           HN       ASP  90   2.215   8.987   8.987
  669    HA   ASP  90           HA       ASP  90   1.628  10.933  10.933
  670   1HB   ASP  90           HB1      ASP  90   0.930  11.702  11.702
  671   2HB   ASP  90           HB2      ASP  90  -0.600  11.043  11.043
  672    H    THR  91           HN       THR  91  -0.736   8.575   8.575
  673    HA   THR  91           HA       THR  91  -2.289   8.718   8.718
  674    HB   THR  91           HB       THR  91  -2.403   6.667   6.667
  675    HG1  THR  91           HG1      THR  91  -2.777   8.614   8.614
  676   1HG2  THR  91          HG22      THR  91  -3.654   5.989   5.989
  677   2HG2  THR  91          HG21      THR  91  -4.548   7.507   7.507
  678   3HG2  THR  91          HG23      THR  91  -4.707   6.335   6.335
  679    H    LEU  92           HN       LEU  92   0.431   6.896   6.896
  680    HA   LEU  92           HA       LEU  92   0.040   4.596   4.596
  681   1HB   LEU  92           HB2      LEU  92   1.604   4.460   4.460
  682   2HB   LEU  92           HB1      LEU  92   2.485   5.863   5.863
  683    HG   LEU  92           HG       LEU  92   2.334   3.320   3.320
  684   1HD1  LEU  92          HD12      LEU  92   3.253   2.914   2.914
  685   2HD1  LEU  92          HD11      LEU  92   4.537   4.060   4.060
  686   3HD1  LEU  92          HD13      LEU  92   4.368   2.575   2.575
  687   1HD2  LEU  92          HD22      LEU  92   3.739   5.902   5.902
  688   2HD2  LEU  92          HD21      LEU  92   3.227   4.790   4.790
  689   3HD2  LEU  92          HD23      LEU  92   4.705   4.471   4.471
  690    H    LYS  93           HN       LYS  93   2.086   7.480   7.480
  691    HA   LYS  93           HA       LYS  93   2.969   6.889   6.889
  692   1HB   LYS  93           HB1      LYS  93   3.868   8.998   8.998
  693   2HB   LYS  93           HB2      LYS  93   3.601   8.809   8.809
  694   1HG   LYS  93           HG1      LYS  93   1.224   9.877   9.877
  695   2HG   LYS  93           HG2      LYS  93   2.455  10.710  10.710
  696   1HD   LYS  93           HD1      LYS  93   2.232  10.557  10.557
  697   2HD   LYS  93           HD2      LYS  93   2.094  11.990  11.990
  698   1HE   LYS  93           HE2      LYS  93   4.609  10.379  10.379
  699   2HE   LYS  93           HE1      LYS  93   4.314  11.500  11.500
  700   1HZ   LYS  93           HZ2      LYS  93   4.140  12.323  12.323
  701   2HZ   LYS  93           HZ1      LYS  93   5.584  12.398  12.398
  702   3HZ   LYS  93           HZ3      LYS  93   4.247  13.312  13.312
  703    H    VAL  94           HN       VAL  94  -0.073   8.216   8.216
  704    HA   VAL  94           HA       VAL  94  -0.977   9.331   9.331
  705    HB   VAL  94           HB       VAL  94  -2.625   7.995   7.995
  706   1HG1  VAL  94          HG22      VAL  94  -3.382   9.830   9.830
  707   2HG1  VAL  94          HG21      VAL  94  -4.423   9.519   9.519
  708   3HG1  VAL  94          HG23      VAL  94  -3.970   8.198   8.198
  709   1HG2  VAL  94          HG11      VAL  94  -1.246  10.572  10.572
  710   2HG2  VAL  94          HG13      VAL  94  -1.840   9.689   9.689
  711   3HG2  VAL  94          HG12      VAL  94  -2.944  10.689  10.689
  712    H    LEU  95           HN       LEU  95  -1.878   6.152   6.152
  713    HA   LEU  95           HA       LEU  95  -2.935   5.237   5.237
  714   1HB   LEU  95           HB1      LEU  95  -3.135   3.061   3.061
  715   2HB   LEU  95           HB2      LEU  95  -3.839   4.376   4.376
  716    HG   LEU  95           HG       LEU  95  -1.184   4.155   4.155
  717   1HD1  LEU  95          HD21      LEU  95  -1.845   1.730   1.730
  718   2HD1  LEU  95          HD23      LEU  95  -2.200   1.497   1.497
  719   3HD1  LEU  95          HD22      LEU  95  -0.590   2.011   2.011
  720   1HD2  LEU  95          HD13      LEU  95  -3.640   4.501   4.501
  721   2HD2  LEU  95          HD12      LEU  95  -2.191   4.157   4.157
  722   3HD2  LEU  95          HD11      LEU  95  -3.292   2.850   2.850
  723    H    VAL  96           HN       VAL  96   0.132   5.106   5.106
  724    HA   VAL  96           HA       VAL  96   1.263   3.012   3.012
  725    HB   VAL  96           HB       VAL  96   2.421   5.071   5.071
  726   1HG1  VAL  96          HG13      VAL  96   3.820   3.590   3.590
  727   2HG1  VAL  96          HG12      VAL  96   4.495   3.344   3.344
  728   3HG1  VAL  96          HG11      VAL  96   4.348   4.976   4.976
  729   1HG2  VAL  96          HG21      VAL  96   2.007   2.103   2.103
  730   2HG2  VAL  96          HG23      VAL  96   1.466   3.319   3.319
  731   3HG2  VAL  96          HG22      VAL  96   3.171   2.880   2.880
  732    H    GLU  97           HN       GLU  97   1.431   6.557   6.557
  733    HA   GLU  97           HA       GLU  97   3.208   6.691   6.691
  734   1HB   GLU  97           HB2      GLU  97   2.791   9.024   9.024
  735   2HB   GLU  97           HB1      GLU  97   2.721   8.535   8.535
  736   1HG   GLU  97           HG1      GLU  97   0.877  10.070  10.070
  737   2HG   GLU  97           HG2      GLU  97   0.587   9.148   9.148
  738    H    HIS  98           HN       HIS  98  -0.241   6.335   6.335
  739    HA   HIS  98           HA       HIS  98  -1.026   7.186   7.186
  740   1HB   HIS  98           HB2      HIS  98  -2.175   5.268   5.268
  741   2HB   HIS  98           HB1      HIS  98  -2.905   5.411   5.411
  742    HD2  HIS  98           HD2      HIS  98  -3.922   6.594   6.594
  743    HE1  HIS  98           HE1      HIS  98  -4.145  10.105  10.105
  744    HE2  HIS  98           HE2      HIS  98  -4.715   9.061   9.061
  745    H    GLY  99           HN       GLY  99   0.486   4.233   4.233
  746   1HA   GLY  99           HA2      GLY  99   1.805   3.165   3.165
  747   2HA   GLY  99           HA1      GLY  99   0.299   3.184   3.184
  748    H    ALA 100           HN       ALA 100   1.007   2.303   2.303
  749    HA   ALA 100           HA       ALA 100  -0.459  -0.193  -0.193
  750   1HB   ALA 100           HB2      ALA 100   0.346   1.364   1.364
  751   2HB   ALA 100           HB1      ALA 100  -0.155  -0.323  -0.323
  752   3HB   ALA 100           HB3      ALA 100  -1.265   0.878   0.878
  753    H    ASP 101           HN       ASP 101   0.412  -2.210  -2.210
  754    HA   ASP 101           HA       ASP 101   3.079  -2.645  -2.645
  755   1HB   ASP 101           HB2      ASP 101   2.546  -4.960  -4.960
  756   2HB   ASP 101           HB1      ASP 101   0.902  -4.329  -4.329
  757    H    VAL 102           HN       VAL 102   4.322  -1.257  -1.257
  758    HA   VAL 102           HA       VAL 102   4.402  -1.802  -1.802
  759    HB   VAL 102           HB       VAL 102   5.924   0.040   0.040
  760   1HG1  VAL 102          HG12      VAL 102   3.389   0.351   0.351
  761   2HG1  VAL 102          HG11      VAL 102   4.080   1.079   1.079
  762   3HG1  VAL 102          HG13      VAL 102   4.471   1.736   1.736
  763   1HG2  VAL 102          HG22      VAL 102   6.198  -0.298  -0.298
  764   2HG2  VAL 102          HG21      VAL 102   7.451  -0.139  -0.139
  765   3HG2  VAL 102          HG23      VAL 102   6.508   1.270   1.270
  766    H    ASN 103           HN       ASN 103   5.461  -3.553  -3.553
  767    HA   ASN 103           HA       ASN 103   8.038  -4.171  -4.171
  768   1HB   ASN 103           HB1      ASN 103   7.712  -4.953  -4.953
  769   2HB   ASN 103           HB2      ASN 103   9.122  -4.312  -4.312
  770   1HD2  ASN 103          HD22      ASN 103   7.548  -1.914  -1.914
  771   2HD2  ASN 103          HD21      ASN 103   7.821  -3.618  -3.618
  772    H    ALA 104           HN       ALA 104   5.550  -5.288  -5.288
  773    HA   ALA 104           HA       ALA 104   5.717  -8.021  -8.021
  774   1HB   ALA 104           HB2      ALA 104   3.461  -6.608  -6.608
  775   2HB   ALA 104           HB1      ALA 104   3.444  -8.314  -8.314
  776   3HB   ALA 104           HB3      ALA 104   3.532  -7.077  -7.077
  777    H    LEU 105           HN       LEU 105   5.893  -9.781  -9.781
  778    HA   LEU 105           HA       LEU 105   6.516  -9.157  -9.157
  779   1HB   LEU 105           HB1      LEU 105   7.746 -11.577 -11.577
  780   2HB   LEU 105           HB2      LEU 105   8.432 -10.336 -10.336
  781    HG   LEU 105           HG       LEU 105   8.183 -10.294 -10.294
  782   1HD1  LEU 105          HD11      LEU 105  10.403 -10.587 -10.587
  783   2HD1  LEU 105          HD13      LEU 105  10.720  -9.765  -9.765
  784   3HD1  LEU 105          HD12      LEU 105  10.124 -11.425 -11.425
  785   1HD2  LEU 105          HD22      LEU 105   8.144  -8.090  -8.090
  786   2HD2  LEU 105          HD21      LEU 105   8.071  -8.080  -8.080
  787   3HD2  LEU 105          HD23      LEU 105   9.634  -8.061  -8.061
  788    H    ASP 106           HN       ASP 106   5.848 -10.625 -10.625
  789    HA   ASP 106           HA       ASP 106   4.452 -13.024 -13.024
  790   1HB   ASP 106           HB1      ASP 106   2.338 -12.375 -12.375
  791   2HB   ASP 106           HB2      ASP 106   2.966 -10.742 -10.742
  792    H    SER 107           HN       SER 107   4.885 -10.717 -10.717
  793    HA   SER 107           HA       SER 107   4.602 -12.399 -12.399
  794   1HB   SER 107           HB2      SER 107   6.775 -10.759 -10.759
  795   2HB   SER 107           HB1      SER 107   5.067 -10.436 -10.436
  796    HG   SER 107           HG       SER 107   6.381  -9.790  -9.790
  797    H    THR 108           HN       THR 108   7.644 -11.716 -11.716
  798    HA   THR 108           HA       THR 108   8.554 -14.410 -14.410
  799    HB   THR 108           HB       THR 108  10.729 -13.291 -13.291
  800    HG1  THR 108           HG1      THR 108   9.973 -11.923 -11.923
  801   1HG2  THR 108          HG22      THR 108   8.651 -15.024 -15.024
  802   2HG2  THR 108          HG21      THR 108   9.019 -13.916 -13.916
  803   3HG2  THR 108          HG23      THR 108  10.300 -14.897 -14.897
  804    H    GLY 109           HN       GLY 109   8.218 -13.360 -13.360
  805   1HA   GLY 109           HA2      GLY 109   9.182 -12.456 -12.456
  806   2HA   GLY 109           HA1      GLY 109  10.454 -13.584 -13.584
  807    H    SER 110           HN       SER 110   9.360 -10.449 -10.449
  808    HA   SER 110           HA       SER 110  12.048  -9.383  -9.383
  809   1HB   SER 110           HB2      SER 110  10.521  -9.062  -9.062
  810   2HB   SER 110           HB1      SER 110  12.069  -8.311  -8.311
  811    HG   SER 110           HG       SER 110  12.312 -10.904 -10.904
  812    H    LEU 111           HN       LEU 111  11.749  -7.778  -7.778
  813    HA   LEU 111           HA       LEU 111   9.575  -6.471  -6.471
  814   1HB   LEU 111           HB2      LEU 111  12.163  -6.101  -6.101
  815   2HB   LEU 111           HB1      LEU 111  11.911  -4.720  -4.720
  816    HG   LEU 111           HG       LEU 111  10.282  -3.786  -3.786
  817   1HD1  LEU 111          HD22      LEU 111  10.572  -6.381  -6.381
  818   2HD1  LEU 111          HD21      LEU 111   9.829  -4.940  -4.940
  819   3HD1  LEU 111          HD23      LEU 111   9.115  -5.703  -5.703
  820   1HD2  LEU 111          HD12      LEU 111  12.929  -3.939  -3.939
  821   2HD2  LEU 111          HD11      LEU 111  11.785  -2.987  -2.987
  822   3HD2  LEU 111          HD13      LEU 111  12.260  -4.594  -4.594
  823    HA   PRO 112           HA       PRO 112   7.440  -4.384  -4.384
  824   1HB   PRO 112           HB2      PRO 112   7.337  -2.162  -2.162
  825   2HB   PRO 112           HB1      PRO 112   6.035  -2.863  -2.863
  826   1HG   PRO 112           HG1      PRO 112   6.293  -3.484  -3.484
  827   2HG   PRO 112           HG2      PRO 112   5.818  -4.711  -4.711
  828   1HD   PRO 112           HD2      PRO 112   8.422  -4.325  -4.325
  829   2HD   PRO 112           HD1      PRO 112   7.654  -5.820  -5.820
  830    H    ILE 113           HN       ILE 113   9.997  -2.741  -2.741
  831    HA   ILE 113           HA       ILE 113  10.377  -0.606  -0.606
  832    HB   ILE 113           HB       ILE 113  11.289  -0.298  -0.298
  833   1HG1  ILE 113          HG11      ILE 113  13.846  -0.947  -0.947
  834   2HG1  ILE 113          HG12      ILE 113  12.763   0.204   0.204
  835   1HG2  ILE 113          HG22      ILE 113  12.483  -3.005  -3.005
  836   2HG2  ILE 113          HG21      ILE 113  13.203  -1.887  -1.887
  837   3HG2  ILE 113          HG23      ILE 113  11.525  -2.396  -2.396
  838   1HD1  ILE 113          HD13      ILE 113  13.609   0.517   0.517
  839   2HD1  ILE 113          HD12      ILE 113  14.577   1.130   1.130
  840   3HD1  ILE 113          HD11      ILE 113  12.936   1.726   1.726
  841    H    HIS 114           HN       HIS 114  11.731  -3.850  -3.850
  842    HA   HIS 114           HA       HIS 114  13.794  -3.592  -3.592
  843   1HB   HIS 114           HB1      HIS 114  12.130  -5.960  -5.960
  844   2HB   HIS 114           HB2      HIS 114  13.451  -6.105  -6.105
  845    HD2  HIS 114           HD2      HIS 114  15.966  -6.146  -6.146
  846    HE1  HIS 114           HE1      HIS 114  14.770  -5.589  -5.589
  847    HE2  HIS 114           HE2      HIS 114  16.673  -6.277  -6.277
  848    H    LEU 115           HN       LEU 115  10.356  -4.185  -4.185
  849    HA   LEU 115           HA       LEU 115  10.427  -4.894  -4.894
  850   1HB   LEU 115           HB2      LEU 115   8.080  -3.384  -3.384
  851   2HB   LEU 115           HB1      LEU 115   8.153  -4.891  -4.891
  852    HG   LEU 115           HG       LEU 115   8.550  -4.513  -4.513
  853   1HD1  LEU 115          HD11      LEU 115   6.260  -4.913  -4.913
  854   2HD1  LEU 115          HD13      LEU 115   6.619  -6.476  -6.476
  855   3HD1  LEU 115          HD12      LEU 115   6.409  -5.051  -5.051
  856   1HD2  LEU 115          HD23      LEU 115   9.724  -6.458  -6.458
  857   2HD2  LEU 115          HD22      LEU 115   9.673  -6.421  -6.421
  858   3HD2  LEU 115          HD21      LEU 115   8.405  -7.250  -7.250
  859    H    ALA 116           HN       ALA 116   9.724  -1.770  -1.770
  860    HA   ALA 116           HA       ALA 116   9.404  -0.234  -0.234
  861   1HB   ALA 116           HB1      ALA 116   9.260   0.340   0.340
  862   2HB   ALA 116           HB3      ALA 116  10.881   0.969   0.969
  863   3HB   ALA 116           HB2      ALA 116   9.508   1.594   1.594
  864    H    ILE 117           HN       ILE 117  12.354  -1.176  -1.176
  865    HA   ILE 117           HA       ILE 117  14.230   0.344   0.344
  866    HB   ILE 117           HB       ILE 117  14.443  -2.464  -2.464
  867   1HG1  ILE 117          HG11      ILE 117  15.541   0.149   0.149
  868   2HG1  ILE 117          HG12      ILE 117  14.029  -0.576  -0.576
  869   1HG2  ILE 117          HG21      ILE 117  16.387  -0.837  -0.837
  870   2HG2  ILE 117          HG23      ILE 117  16.995  -1.646  -1.646
  871   3HG2  ILE 117          HG22      ILE 117  16.246  -2.588  -2.588
  872   1HD1  ILE 117          HD11      ILE 117  15.747  -2.639  -2.639
  873   2HD1  ILE 117          HD13      ILE 117  16.791  -1.257  -1.257
  874   3HD1  ILE 117          HD12      ILE 117  15.304  -1.479  -1.479
  875    H    ARG 118           HN       ARG 118  12.762  -2.748  -2.748
  876    HA   ARG 118           HA       ARG 118  14.289  -3.015  -3.015
  877   1HB   ARG 118           HB2      ARG 118  11.682  -4.392  -4.392
  878   2HB   ARG 118           HB1      ARG 118  13.274  -5.035  -5.035
  879   1HG   ARG 118           HG1      ARG 118  13.624  -4.543  -4.543
  880   2HG   ARG 118           HG2      ARG 118  11.880  -4.820  -4.820
  881   1HD   ARG 118           HD2      ARG 118  13.396  -6.766  -6.766
  882   2HD   ARG 118           HD1      ARG 118  13.803  -6.766  -6.766
  883    HE   ARG 118           HE       ARG 118  11.132  -6.822  -6.822
  884   1HH1  ARG 118          HH11      ARG 118  13.423  -8.676  -8.676
  885   2HH1  ARG 118          HH12      ARG 118  12.418 -10.085 -10.085
  886   1HH2  ARG 118          HH21      ARG 118   9.800  -8.672  -8.672
  887   2HH2  ARG 118          HH22      ARG 118  10.357 -10.082 -10.082
  888    H    GLU 119           HN       GLU 119  11.605  -1.168  -1.168
  889    HA   GLU 119           HA       GLU 119  10.474  -0.942  -0.942
  890   1HB   GLU 119           HB2      GLU 119   9.756  -0.070  -0.070
  891   2HB   GLU 119           HB1      GLU 119   9.260   1.004   1.004
  892   1HG   GLU 119           HG2      GLU 119   8.512  -1.875  -1.875
  893   2HG   GLU 119           HG1      GLU 119   7.455  -0.464  -0.464
  894    H    GLY 120           HN       GLY 120  11.844   1.377   1.377
  895   1HA   GLY 120           HA1      GLY 120  13.716   2.775   2.775
  896   2HA   GLY 120           HA2      GLY 120  12.809   2.943   2.943
  897    H    HIS 121           HN       HIS 121  10.566   2.992   2.992
  898    HA   HIS 121           HA       HIS 121   9.941   5.709   5.709
  899   1HB   HIS 121           HB2      HIS 121   9.101   3.949   3.949
  900   2HB   HIS 121           HB1      HIS 121   8.266   5.374   5.374
  901    HD2  HIS 121           HD2      HIS 121   8.177   1.640   1.640
  902    HE1  HIS 121           HE1      HIS 121   6.219   3.230   3.230
  903    HE2  HIS 121           HE2      HIS 121   6.524   1.175   1.175
  904    H    SER 122           HN       SER 122  12.164   6.536   6.536
  905    HA   SER 122           HA       SER 122  13.669   6.547   6.547
  906   1HB   SER 122           HB2      SER 122  12.864   8.751   8.751
  907   2HB   SER 122           HB1      SER 122  13.734   9.193   9.193
  908    HG   SER 122           HG       SER 122  15.201   8.792   8.792
  909    H    SER 123           HN       SER 123  10.478   7.969   7.969
  910    HA   SER 123           HA       SER 123  10.581   9.291   9.291
  911   1HB   SER 123           HB2      SER 123   7.895   8.879   8.879
  912   2HB   SER 123           HB1      SER 123   8.847  10.285  10.285
  913    HG   SER 123           HG       SER 123   7.818   9.353   9.353
  914    H    VAL 124           HN       VAL 124   9.080   6.271   6.271
  915    HA   VAL 124           HA       VAL 124   8.130   5.532   5.532
  916    HB   VAL 124           HB       VAL 124   8.566   3.661   3.661
  917   1HG1  VAL 124          HG11      VAL 124   7.898   2.944   2.944
  918   2HG1  VAL 124          HG13      VAL 124   6.304   3.514   3.514
  919   3HG1  VAL 124          HG12      VAL 124   7.100   2.226   2.226
  920   1HG2  VAL 124          HG21      VAL 124   6.970   5.978   5.978
  921   2HG2  VAL 124          HG23      VAL 124   6.987   4.676   4.676
  922   3HG2  VAL 124          HG22      VAL 124   5.871   4.609   4.609
  923    H    VAL 125           HN       VAL 125  10.810   4.346   4.346
  924    HA   VAL 125           HA       VAL 125  11.813   2.408   2.408
  925    HB   VAL 125           HB       VAL 125  14.114   3.205   3.205
  926   1HG1  VAL 125          HG22      VAL 125  11.811   1.970   1.970
  927   2HG1  VAL 125          HG21      VAL 125  13.446   2.050   2.050
  928   3HG1  VAL 125          HG23      VAL 125  13.137   1.156   1.156
  929   1HG2  VAL 125          HG12      VAL 125  12.504   5.285   5.285
  930   2HG2  VAL 125          HG11      VAL 125  14.090   4.868   4.868
  931   3HG2  VAL 125          HG13      VAL 125  12.630   4.256   4.256
  932    H    SER 126           HN       SER 126  12.794   5.839   5.839
  933    HA   SER 126           HA       SER 126  14.535   5.635   5.635
  934   1HB   SER 126           HB2      SER 126  15.064   7.449   7.449
  935   2HB   SER 126           HB1      SER 126  13.377   7.878   7.878
  936    HG   SER 126           HG       SER 126  14.007   9.369   9.369
  937    H    PHE 127           HN       PHE 127  11.163   6.447   6.447
  938    HA   PHE 127           HA       PHE 127  10.804   7.397   7.397
  939   1HB   PHE 127           HB2      PHE 127   9.261   8.136   8.136
  940   2HB   PHE 127           HB1      PHE 127   8.847   6.479   6.479
  941    HD1  PHE 127           HD1      PHE 127   8.451   9.119   9.119
  942    HD2  PHE 127           HD2      PHE 127   7.259   5.225   5.225
  943    HE1  PHE 127           HE1      PHE 127   6.580   9.176   9.176
  944    HE2  PHE 127           HE2      PHE 127   5.386   5.273   5.273
  945    HZ   PHE 127           HZ       PHE 127   5.046   7.251   7.251
  946    H    LEU 128           HN       LEU 128  10.465   4.282   4.282
  947    HA   LEU 128           HA       LEU 128   9.202   2.988   2.988
  948   1HB   LEU 128           HB1      LEU 128   9.716   2.362   2.362
  949   2HB   LEU 128           HB2      LEU 128  10.685   1.215   1.215
  950    HG   LEU 128           HG       LEU 128   8.630   0.131   0.131
  951   1HD1  LEU 128          HD13      LEU 128   9.534   0.265   0.265
  952   2HD1  LEU 128          HD12      LEU 128   8.114   1.266   1.266
  953   3HD1  LEU 128          HD11      LEU 128   7.920  -0.389  -0.389
  954   1HD2  LEU 128          HD22      LEU 128   7.387   2.766   2.766
  955   2HD2  LEU 128          HD21      LEU 128   7.212   1.830   1.830
  956   3HD2  LEU 128          HD23      LEU 128   6.462   1.265   1.265
  957    H    ALA 129           HN       ALA 129  12.220   4.222   4.222
  958    HA   ALA 129           HA       ALA 129  13.860   2.142   2.142
  959   1HB   ALA 129           HB1      ALA 129  14.083   5.078   5.078
  960   2HB   ALA 129           HB3      ALA 129  15.154   4.301   4.301
  961   3HB   ALA 129           HB2      ALA 129  15.178   3.801   3.801
  962    HA   PRO 130           HA       PRO 130  13.332   3.931   3.931
  963   1HB   PRO 130           HB2      PRO 130  11.668   6.058   6.058
  964   2HB   PRO 130           HB1      PRO 130  13.391   6.220   6.220
  965   1HG   PRO 130           HG2      PRO 130  11.050   6.438   6.438
  966   2HG   PRO 130           HG1      PRO 130  12.516   7.431   7.431
  967   1HD   PRO 130           HD1      PRO 130  12.170   5.464   5.464
  968   2HD   PRO 130           HD2      PRO 130  13.764   5.899   5.899
  969    H    GLU 131           HN       GLU 131  10.230   4.794   4.794
  970    HA   GLU 131           HA       GLU 131   8.442   3.969   3.969
  971   1HB   GLU 131           HB1      GLU 131   8.171   3.253   3.253
  972   2HB   GLU 131           HB2      GLU 131   6.870   3.531   3.531
  973   1HG   GLU 131           HG2      GLU 131   8.728   5.519   5.519
  974   2HG   GLU 131           HG1      GLU 131   6.965   5.478   5.478
  975    H    SER 132           HN       SER 132  10.462   1.887   1.887
  976    HA   SER 132           HA       SER 132   9.210  -0.468  -0.468
  977   1HB   SER 132           HB2      SER 132   9.492  -0.143  -0.143
  978   2HB   SER 132           HB1      SER 132  11.130  -0.711  -0.711
  979    HG   SER 132           HG       SER 132   8.976  -2.172  -2.172
  980    H    ASP 133           HN       ASP 133  10.369  -1.810  -1.810
  981    HA   ASP 133           HA       ASP 133  12.445  -1.099  -1.099
  982   1HB   ASP 133           HB1      ASP 133  12.677  -3.888  -3.888
  983   2HB   ASP 133           HB2      ASP 133  11.118  -3.424  -3.424
  984    H    LEU 134           HN       LEU 134  14.161   0.019   0.019
  985    HA   LEU 134           HA       LEU 134  15.515  -0.568  -0.568
  986   1HB   LEU 134           HB1      LEU 134  15.907   1.278   1.278
  987   2HB   LEU 134           HB2      LEU 134  17.284   0.961   0.961
  988    HG   LEU 134           HG       LEU 134  14.629   2.093   2.093
  989   1HD1  LEU 134          HD13      LEU 134  17.278   3.288   3.288
  990   2HD1  LEU 134          HD12      LEU 134  16.299   4.012   4.012
  991   3HD1  LEU 134          HD11      LEU 134  15.654   3.874   3.874
  992   1HD2  LEU 134          HD22      LEU 134  16.944   1.009   1.009
  993   2HD2  LEU 134          HD21      LEU 134  15.242   1.101   1.101
  994   3HD2  LEU 134          HD23      LEU 134  16.269   2.529   2.529
  995    H    HIS 135           HN       HIS 135  15.845  -2.895  -2.895
  996    HA   HIS 135           HA       HIS 135  18.480  -3.533  -3.533
  997   1HB   HIS 135           HB1      HIS 135  17.331  -2.912  -2.912
  998   2HB   HIS 135           HB2      HIS 135  17.131  -4.660  -4.660
  999    HD2  HIS 135           HD2      HIS 135  20.283  -2.531  -2.531
 1000    HE1  HIS 135           HE1      HIS 135  21.371  -5.448  -5.448
 1001    HE2  HIS 135           HE2      HIS 135  22.236  -3.719  -3.719
 1002    H    HIS 136           HN       HIS 136  15.137  -4.561  -4.561
 1003    HA   HIS 136           HA       HIS 136  15.178  -7.248  -7.248
 1004   1HB   HIS 136           HB1      HIS 136  13.271  -5.489  -5.489
 1005   2HB   HIS 136           HB2      HIS 136  13.614  -6.048  -6.048
 1006    HD2  HIS 136           HD2      HIS 136  11.760  -7.862  -7.862
 1007    HE1  HIS 136           HE1      HIS 136  11.665  -9.843  -9.843
 1008    HE2  HIS 136           HE2      HIS 136  10.879  -9.909  -9.909
 1009    H    ARG 137           HN       ARG 137  15.097  -8.884  -8.884
 1010    HA   ARG 137           HA       ARG 137  16.700  -8.231  -8.231
 1011   1HB   ARG 137           HB1      ARG 137  17.517  -9.960  -9.960
 1012   2HB   ARG 137           HB2      ARG 137  17.702 -10.692 -10.692
 1013   1HG   ARG 137           HG2      ARG 137  19.176  -8.993  -8.993
 1014   2HG   ARG 137           HG1      ARG 137  18.794  -7.976  -7.976
 1015   1HD   ARG 137           HD2      ARG 137  19.792  -9.687  -9.687
 1016   2HD   ARG 137           HD1      ARG 137  20.244 -10.619 -10.619
 1017    HE   ARG 137           HE       ARG 137  21.240  -7.939  -7.939
 1018   1HH1  ARG 137          HH21      ARG 137  21.813 -11.133 -11.133
 1019   2HH1  ARG 137          HH22      ARG 137  23.523 -10.905 -10.905
 1020   1HH2  ARG 137          HH11      ARG 137  23.491  -7.630  -7.630
 1021   2HH2  ARG 137          HH12      ARG 137  24.477  -8.915  -8.915
 1022    H    ASP 138           HN       ASP 138  16.363  -9.581  -9.581
 1023    HA   ASP 138           HA       ASP 138  13.832 -10.993 -10.993
 1024   1HB   ASP 138           HB2      ASP 138  13.841 -10.827 -10.827
 1025   2HB   ASP 138           HB1      ASP 138  15.596 -10.907 -10.907
 1026    H    ALA 139           HN       ALA 139  13.617 -13.155 -13.155
 1027    HA   ALA 139           HA       ALA 139  15.016 -15.112 -15.112
 1028   1HB   ALA 139           HB1      ALA 139  13.159 -15.009 -15.009
 1029   2HB   ALA 139           HB3      ALA 139  14.448 -16.126 -16.126
 1030   3HB   ALA 139           HB2      ALA 139  13.549 -16.373 -16.373
 1031    H    SER 140           HN       SER 140  15.960 -13.269 -13.269
 1032    HA   SER 140           HA       SER 140  18.116 -14.898 -14.898
 1033   1HB   SER 140           HB1      SER 140  17.748 -13.504 -13.504
 1034   2HB   SER 140           HB2      SER 140  16.932 -12.335 -12.335
 1035    HG   SER 140           HG       SER 140  19.573 -12.449 -12.449
 1036    H    GLY 141           HN       GLY 141  18.035 -11.800 -11.800
 1037   1HA   GLY 141           HA1      GLY 141  19.430 -11.809 -11.809
 1038   2HA   GLY 141           HA2      GLY 141  20.705 -12.464 -12.464
 1039    H    LEU 142           HN       LEU 142  18.783 -10.178 -10.178
 1040    HA   LEU 142           HA       LEU 142  20.906  -8.171  -8.171
 1041   1HB   LEU 142           HB2      LEU 142  18.824  -8.085  -8.085
 1042   2HB   LEU 142           HB1      LEU 142  20.436  -7.395  -7.395
 1043    HG   LEU 142           HG       LEU 142  20.078 -10.369 -10.369
 1044   1HD1  LEU 142          HD12      LEU 142  19.875  -8.550  -8.550
 1045   2HD1  LEU 142          HD11      LEU 142  20.278 -10.263 -10.263
 1046   3HD1  LEU 142          HD13      LEU 142  18.719  -9.767  -9.767
 1047   1HD2  LEU 142          HD21      LEU 142  22.219  -8.451  -8.451
 1048   2HD2  LEU 142          HD23      LEU 142  22.301  -9.716  -9.716
 1049   3HD2  LEU 142          HD22      LEU 142  22.225 -10.146 -10.146
 1050    H    THR 143           HN       THR 143  20.433  -6.611  -6.611
 1051    HA   THR 143           HA       THR 143  17.749  -6.002  -6.002
 1052    HB   THR 143           HB       THR 143  18.676  -4.800  -4.800
 1053    HG1  THR 143           HG1      THR 143  20.706  -3.604  -3.604
 1054   1HG2  THR 143          HG23      THR 143  20.077  -6.995  -6.995
 1055   2HG2  THR 143          HG22      THR 143  21.368  -5.827  -5.827
 1056   3HG2  THR 143          HG21      THR 143  20.505  -5.831  -5.831
 1057    HA   PRO 144           HA       PRO 144  16.450  -2.433  -2.433
 1058   1HB   PRO 144           HB2      PRO 144  17.491  -0.576  -0.576
 1059   2HB   PRO 144           HB1      PRO 144  15.894  -0.638  -0.638
 1060   1HG   PRO 144           HG1      PRO 144  16.256  -1.575  -1.575
 1061   2HG   PRO 144           HG2      PRO 144  15.199  -2.424  -2.424
 1062   1HD   PRO 144           HD1      PRO 144  17.953  -3.116  -3.116
 1063   2HD   PRO 144           HD2      PRO 144  16.598  -4.184  -4.184
 1064    H    LEU 145           HN       LEU 145  19.501  -1.567  -1.567
 1065    HA   LEU 145           HA       LEU 145  20.407   0.133   0.133
 1066   1HB   LEU 145           HB2      LEU 145  21.140  -0.049  -0.049
 1067   2HB   LEU 145           HB1      LEU 145  22.261  -1.257  -1.257
 1068    HG   LEU 145           HG       LEU 145  22.156   1.670   1.670
 1069   1HD1  LEU 145          HD12      LEU 145  23.896  -0.090  -0.090
 1070   2HD1  LEU 145          HD11      LEU 145  24.700   1.139   1.139
 1071   3HD1  LEU 145          HD13      LEU 145  23.489   1.612   1.612
 1072   1HD2  LEU 145          HD23      LEU 145  23.598  -0.580  -0.580
 1073   2HD2  LEU 145          HD22      LEU 145  22.557   0.655   0.655
 1074   3HD2  LEU 145          HD21      LEU 145  24.149   1.093   1.093
 1075    H    GLU 146           HN       GLU 146  21.044  -3.241  -3.241
 1076    HA   GLU 146           HA       GLU 146  23.062  -3.824  -3.824
 1077   1HB   GLU 146           HB1      GLU 146  21.626  -5.268  -5.268
 1078   2HB   GLU 146           HB2      GLU 146  20.982  -5.901  -5.901
 1079   1HG   GLU 146           HG2      GLU 146  23.829  -5.936  -5.936
 1080   2HG   GLU 146           HG1      GLU 146  22.769  -7.308  -7.308
 1081    H    LEU 147           HN       LEU 147  19.576  -4.405  -4.405
 1082    HA   LEU 147           HA       LEU 147  19.747  -5.136  -5.136
 1083   1HB   LEU 147           HB2      LEU 147  17.705  -4.694  -4.694
 1084   2HB   LEU 147           HB1      LEU 147  17.418  -3.468  -3.468
 1085    HG   LEU 147           HG       LEU 147  17.583  -6.450  -6.450
 1086   1HD1  LEU 147          HD11      LEU 147  15.443  -4.711  -4.711
 1087   2HD1  LEU 147          HD13      LEU 147  15.185  -5.289  -5.289
 1088   3HD1  LEU 147          HD12      LEU 147  15.400  -6.443  -6.443
 1089   1HD2  LEU 147          HD22      LEU 147  18.578  -5.150  -5.150
 1090   2HD2  LEU 147          HD21      LEU 147  17.106  -6.005  -6.005
 1091   3HD2  LEU 147          HD23      LEU 147  17.058  -4.269  -4.269
 1092    H    ALA 148           HN       ALA 148  19.915  -1.971  -1.971
 1093    HA   ALA 148           HA       ALA 148  19.508  -0.498  -0.498
 1094   1HB   ALA 148           HB3      ALA 148  20.715   0.289   0.289
 1095   2HB   ALA 148           HB2      ALA 148  20.424   1.410   1.410
 1096   3HB   ALA 148           HB1      ALA 148  19.068   0.585   0.585
 1097    H    ARG 149           HN       ARG 149  22.187  -2.110  -2.110
 1098    HA   ARG 149           HA       ARG 149  24.301  -0.692  -0.692
 1099   1HB   ARG 149           HB1      ARG 149  24.707  -2.150  -2.150
 1100   2HB   ARG 149           HB2      ARG 149  24.155  -3.547  -3.547
 1101   1HG   ARG 149           HG2      ARG 149  26.241  -2.285  -2.285
 1102   2HG   ARG 149           HG1      ARG 149  26.770  -2.499  -2.499
 1103   1HD   ARG 149           HD2      ARG 149  25.415  -4.760  -4.760
 1104   2HD   ARG 149           HD1      ARG 149  27.100  -4.405  -4.405
 1105    HE   ARG 149           HE       ARG 149  26.981  -4.491  -4.491
 1106   1HH1  ARG 149          HH21      ARG 149  26.242  -6.673  -6.673
 1107   2HH1  ARG 149          HH22      ARG 149  26.605  -8.098  -8.098
 1108   1HH2  ARG 149          HH11      ARG 149  27.463  -6.359  -6.359
 1109   2HH2  ARG 149          HH12      ARG 149  27.299  -7.919  -7.919
 1110    H    GLN 150           HN       GLN 150  22.667  -3.724  -3.724
 1111    HA   GLN 150           HA       GLN 150  24.073  -4.098  -4.098
 1112   1HB   GLN 150           HB1      GLN 150  21.781  -5.420  -5.420
 1113   2HB   GLN 150           HB2      GLN 150  23.086  -6.078  -6.078
 1114   1HG   GLN 150           HG2      GLN 150  21.077  -4.444  -4.444
 1115   2HG   GLN 150           HG1      GLN 150  20.541  -6.009  -6.009
 1116   1HE2  GLN 150          HE22      GLN 150  22.070  -7.830  -7.830
 1117   2HE2  GLN 150          HE21      GLN 150  21.018  -7.777  -7.777
 1118    H    ARG 151           HN       ARG 151  20.606  -3.359  -3.359
 1119    HA   ARG 151           HA       ARG 151  20.550  -2.153  -2.153
 1120   1HB   ARG 151           HB2      ARG 151  18.432  -1.987  -1.987
 1121   2HB   ARG 151           HB1      ARG 151  18.214  -1.770  -1.770
 1122   1HG   ARG 151           HG2      ARG 151  18.810  -4.139  -4.139
 1123   2HG   ARG 151           HG1      ARG 151  18.918  -4.335  -4.335
 1124   1HD   ARG 151           HD1      ARG 151  16.753  -5.087  -5.087
 1125   2HD   ARG 151           HD2      ARG 151  16.584  -3.765  -3.765
 1126    HE   ARG 151           HE       ARG 151  15.851  -2.390  -2.390
 1127   1HH1  ARG 151          HH21      ARG 151  17.000  -5.413  -5.413
 1128   2HH1  ARG 151          HH22      ARG 151  16.356  -5.133  -5.133
 1129   1HH2  ARG 151          HH11      ARG 151  15.003  -2.007  -2.007
 1130   2HH2  ARG 151          HH12      ARG 151  15.219  -3.195  -3.195
 1131    H    GLY 152           HN       GLY 152  22.464  -0.775  -0.775
 1132   1HA   GLY 152           HA1      GLY 152  21.757   1.456   1.456
 1133   2HA   GLY 152           HA2      GLY 152  23.237   1.275   1.275
 1134    H    ALA 153           HN       ALA 153  19.806   1.492   1.492
 1135    HA   ALA 153           HA       ALA 153  19.807   2.642   2.642
 1136   1HB   ALA 153           HB3      ALA 153  18.115   3.186   3.186
 1137   2HB   ALA 153           HB2      ALA 153  17.925   4.227   4.227
 1138   3HB   ALA 153           HB1      ALA 153  17.684   2.487   2.487
 1139    H    GLN 154           HN       GLN 154  20.362   4.509   4.509
 1140    HA   GLN 154           HA       GLN 154  22.288   6.186   6.186
 1141   1HB   GLN 154           HB2      GLN 154  20.669   8.306   8.306
 1142   2HB   GLN 154           HB1      GLN 154  20.879   7.487   7.487
 1143   1HG   GLN 154           HG2      GLN 154  18.546   7.886   7.886
 1144   2HG   GLN 154           HG1      GLN 154  18.866   6.155   6.155
 1145   1HE2  GLN 154          HE22      GLN 154  17.682   5.726   5.726
 1146   2HE2  GLN 154          HE21      GLN 154  18.351   5.034   5.034
 1147    H    ASN 155           HN       ASN 155  20.212   8.047   8.047
 1148    HA   ASN 155           HA       ASN 155  22.085   7.948   7.948
 1149   1HB   ASN 155           HB2      ASN 155  19.708   9.530   9.530
 1150   2HB   ASN 155           HB1      ASN 155  19.941   9.297   9.297
 1151   1HD2  ASN 155          HD22      ASN 155  22.907  11.208  11.208
 1152   2HD2  ASN 155          HD21      ASN 155  22.037   9.900   9.900
 1153    H    LEU 156           HN       LEU 156  19.927   5.709   5.709
 1154    HA   LEU 156           HA       LEU 156  18.284   5.151   5.151
 1155   1HB   LEU 156           HB1      LEU 156  19.344   3.740   3.740
 1156   2HB   LEU 156           HB2      LEU 156  19.332   2.678   2.678
 1157    HG   LEU 156           HG       LEU 156  16.995   4.067   4.067
 1158   1HD1  LEU 156          HD11      LEU 156  18.017   1.771   1.771
 1159   2HD1  LEU 156          HD13      LEU 156  17.160   1.172   1.172
 1160   3HD1  LEU 156          HD12      LEU 156  16.270   1.971   1.971
 1161   1HD2  LEU 156          HD23      LEU 156  17.347   3.162   3.162
 1162   2HD2  LEU 156          HD22      LEU 156  16.198   4.312   4.312
 1163   3HD2  LEU 156          HD21      LEU 156  15.887   2.580   2.580
 1164    H    MET 157           HN       MET 157  21.541   3.752   3.752
 1165    HA   MET 157           HA       MET 157  21.736   2.445   2.445
 1166   1HB   MET 157           HB1      MET 157  24.081   3.854   3.854
 1167   2HB   MET 157           HB2      MET 157  24.053   2.329   2.329
 1168   1HG   MET 157           HG2      MET 157  23.838   1.228   1.228
 1169   2HG   MET 157           HG1      MET 157  22.339   2.087   2.087
 1170   1HE   MET 157           HE1      MET 157  25.175   0.889   0.889
 1171   2HE   MET 157           HE3      MET 157  25.545   1.822   1.822
 1172   3HE   MET 157           HE2      MET 157  26.396   2.161   2.161
 1173    H    ASP 158           HN       ASP 158  22.142   5.838   5.838
 1174    HA   ASP 158           HA       ASP 158  23.310   6.535   6.535
 1175   1HB   ASP 158           HB1      ASP 158  23.472   7.837   7.837
 1176   2HB   ASP 158           HB2      ASP 158  21.856   8.432   8.432
 1177    H    ILE 159           HN       ILE 159  20.088   7.196   7.196
 1178    HA   ILE 159           HA       ILE 159  18.940   8.327   8.327
 1179    HB   ILE 159           HB       ILE 159  16.916   6.712   6.712
 1180   1HG1  ILE 159          HG12      ILE 159  18.545   8.082   8.082
 1181   2HG1  ILE 159          HG11      ILE 159  18.603   6.348   6.348
 1182   1HG2  ILE 159          HG21      ILE 159  17.650   9.550   9.550
 1183   2HG2  ILE 159          HG23      ILE 159  16.529   9.136   9.136
 1184   3HG2  ILE 159          HG22      ILE 159  16.132   8.734   8.734
 1185   1HD1  ILE 159          HD13      ILE 159  15.940   7.543   7.543
 1186   2HD1  ILE 159          HD12      ILE 159  17.019   7.435   7.435
 1187   3HD1  ILE 159          HD11      ILE 159  16.582   5.979   5.979
 1188    H    LEU 160           HN       LEU 160  19.510   4.953   4.953
 1189    HA   LEU 160           HA       LEU 160  17.870   3.939   3.939
 1190   1HB   LEU 160           HB2      LEU 160  20.064   2.712   2.712
 1191   2HB   LEU 160           HB1      LEU 160  19.166   1.822   1.822
 1192    HG   LEU 160           HG       LEU 160  18.502   1.944   1.944
 1193   1HD1  LEU 160          HD11      LEU 160  17.558   0.737   0.737
 1194   2HD1  LEU 160          HD13      LEU 160  16.170   1.700   1.700
 1195   3HD1  LEU 160          HD12      LEU 160  16.886   0.531   0.531
 1196   1HD2  LEU 160          HD22      LEU 160  17.933   4.313   4.313
 1197   2HD2  LEU 160          HD21      LEU 160  16.517   3.324   3.324
 1198   3HD2  LEU 160          HD23      LEU 160  16.756   3.970   3.970
 1199    H    GLN 161           HN       GLN 161  21.422   4.014   4.014
 1200    HA   GLN 161           HA       GLN 161  21.947   3.310   3.310
 1201   1HB   GLN 161           HB1      GLN 161  24.231   3.861   3.861
 1202   2HB   GLN 161           HB2      GLN 161  23.537   3.062   3.062
 1203   1HG   GLN 161           HG1      GLN 161  23.058   5.562   5.562
 1204   2HG   GLN 161           HG2      GLN 161  24.430   5.865   5.865
 1205   1HE2  GLN 161          HE22      GLN 161  26.230   5.440   5.440
 1206   2HE2  GLN 161          HE21      GLN 161  25.486   6.596   6.596
 1207    H    GLY 162           HN       GLY 162  20.885   6.216   6.216
 1208   1HA   GLY 162           HA2      GLY 162  22.123   8.049   8.049
 1209   2HA   GLY 162           HA1      GLY 162  20.757   8.387   8.387
 1210    H    HIS 163           HN       HIS 163  18.769   6.861   6.861
 1211    HA   HIS 163           HA       HIS 163  18.023   8.023   8.023
 1212   1HB   HIS 163           HB2      HIS 163  16.697   6.135   6.135
 1213   2HB   HIS 163           HB1      HIS 163  15.982   6.448   6.448
 1214    HD2  HIS 163           HD2      HIS 163  17.354   8.875   8.875
 1215    HE1  HIS 163           HE1      HIS 163  13.611  10.228  10.228
 1216    HE2  HIS 163           HE2      HIS 163  15.429  10.587  10.587
 1217    H    MET 164           HN       MET 164  19.698   5.202   5.202
 1218    HA   MET 164           HA       MET 164  18.934   3.235   3.235
 1219   1HB   MET 164           HB1      MET 164  21.390   3.997   3.997
 1220   2HB   MET 164           HB2      MET 164  21.737   3.373   3.373
 1221   1HG   MET 164           HG1      MET 164  19.914   1.569   1.569
 1222   2HG   MET 164           HG2      MET 164  20.873   1.983   1.983
 1223   1HE   MET 164           HE3      MET 164  21.451  -0.233  -0.233
 1224   2HE   MET 164           HE2      MET 164  23.158   0.206   0.206
 1225   3HE   MET 164           HE1      MET 164  22.650  -1.185  -1.185
 1226    H    MET 165           HN       MET 165  21.732   5.099   5.099
 1227    HA   MET 165           HA       MET 165  20.730   6.362   6.362
 1228   1HB   MET 165           HB1      MET 165  20.834   3.485   3.485
 1229   2HB   MET 165           HB2      MET 165  21.826   4.320   4.320
 1230   1HG   MET 165           HG1      MET 165  19.641   5.819   5.819
 1231   2HG   MET 165           HG2      MET 165  18.891   4.324   4.324
 1232   1HE   MET 165           HE3      MET 165  21.462   5.795   5.795
 1233   2HE   MET 165           HE2      MET 165  21.396   4.765   4.765
 1234   3HE   MET 165           HE1      MET 165  22.194   4.191   4.191
 1235    H    ILE 166           HN       ILE 166  23.335   4.391   4.391
 1236    HA   ILE 166           HA       ILE 166  25.621   4.467   4.467
 1237    HB   ILE 166           HB       ILE 166  25.124   7.345   7.345
 1238   1HG1  ILE 166          HG12      ILE 166  23.915   5.999   5.999
 1239   2HG1  ILE 166          HG11      ILE 166  25.412   6.501   6.501
 1240   1HG2  ILE 166          HG23      ILE 166  27.483   5.833   5.833
 1241   2HG2  ILE 166          HG22      ILE 166  27.402   6.216   6.216
 1242   3HG2  ILE 166          HG21      ILE 166  27.335   7.511   7.511
 1243   1HD1  ILE 166          HD11      ILE 166  26.292   4.207   4.207
 1244   2HD1  ILE 166          HD13      ILE 166  24.575   3.808   3.808
 1245   3HD1  ILE 166          HD12      ILE 166  25.312   4.296   4.296
 1246    HA   PRO 167           HA       PRO 167  25.488   5.998   5.998
 1247   1HB   PRO 167           HB1      PRO 167  27.808   4.135   4.135
 1248   2HB   PRO 167           HB2      PRO 167  26.465   4.277   4.277
 1249   1HG   PRO 167           HG2      PRO 167  26.569   2.261   2.261
 1250   2HG   PRO 167           HG1      PRO 167  25.028   3.042   3.042
 1251   1HD   PRO 167           HD2      PRO 167  26.722   3.330   3.330
 1252   2HD   PRO 167           HD1      PRO 167  24.953   3.315   3.315
 1253    H    MET 168           HN       MET 168  28.179   5.848   5.848
 1254    HA   MET 168           HA       MET 168  29.854   7.368   7.368
 1255   1HB   MET 168           HB2      MET 168  30.267   7.078   7.078
 1256   2HB   MET 168           HB1      MET 168  31.480   7.463   7.463
 1257   1HG   MET 168           HG1      MET 168  30.604   5.098   5.098
 1258   2HG   MET 168           HG2      MET 168  30.342   4.870   4.870
 1259   1HE   MET 168           HE2      MET 168  32.535   5.989   5.989
 1260   2HE   MET 168           HE1      MET 168  34.035   5.096   5.096
 1261   3HE   MET 168           HE3      MET 168  33.843   6.708   6.708

  Start of MODEL   16
    1   1H    GLY   1           HT3      GLY   1 -36.145  -3.769  -3.769
    2   2H    GLY   1           HT2      GLY   1 -37.283  -3.006  -3.006
    3   3H    GLY   1           HT1      GLY   1 -36.702  -4.539  -4.539
    4   1HA   GLY   1           HA1      GLY   1 -35.502  -3.198  -3.198
    5   2HA   GLY   1           HA2      GLY   1 -35.368  -1.927  -1.927
    6    H    SER   2           HN       SER   2 -33.133  -1.767  -1.767
    7    HA   SER   2           HA       SER   2 -31.344  -3.933  -3.933
    8   1HB   SER   2           HB2      SER   2 -29.636  -2.195  -2.195
    9   2HB   SER   2           HB1      SER   2 -30.614  -1.785  -1.785
   10    HG   SER   2           HG       SER   2 -30.991  -0.005  -0.005
   11    H    MET   3           HN       MET   3 -32.487  -5.105  -5.105
   12    HA   MET   3           HA       MET   3 -31.878  -4.102  -4.102
   13   1HB   MET   3           HB1      MET   3 -33.612  -6.350  -6.350
   14   2HB   MET   3           HB2      MET   3 -33.221  -6.164  -6.164
   15   1HG   MET   3           HG2      MET   3 -34.096  -3.653  -3.653
   16   2HG   MET   3           HG1      MET   3 -35.161  -4.764  -4.764
   17   1HE   MET   3           HE1      MET   3 -35.471  -7.039  -7.039
   18   2HE   MET   3           HE3      MET   3 -35.298  -7.210  -7.210
   19   3HE   MET   3           HE2      MET   3 -36.872  -6.825  -6.825
   20    H    LEU   4           HN       LEU   4 -29.969  -5.350  -5.350
   21    HA   LEU   4           HA       LEU   4 -28.994  -7.607  -7.607
   22   1HB   LEU   4           HB1      LEU   4 -29.170  -7.148  -7.148
   23   2HB   LEU   4           HB2      LEU   4 -27.462  -7.141  -7.141
   24    HG   LEU   4           HG       LEU   4 -27.698  -9.361  -9.361
   25   1HD1  LEU   4          HD22      LEU   4 -30.511  -8.744  -8.744
   26   2HD1  LEU   4          HD21      LEU   4 -30.102 -10.317 -10.317
   27   3HD1  LEU   4          HD23      LEU   4 -29.721  -9.962  -9.962
   28   1HD2  LEU   4          HD13      LEU   4 -27.096  -9.121  -9.121
   29   2HD2  LEU   4          HD12      LEU   4 -27.956 -10.623 -10.623
   30   3HD2  LEU   4          HD11      LEU   4 -28.802  -9.277  -9.277
   31    H    LEU   5           HN       LEU   5 -28.609  -5.263  -5.263
   32    HA   LEU   5           HA       LEU   5 -25.854  -4.435  -4.435
   33   1HB   LEU   5           HB2      LEU   5 -28.176  -3.056  -3.056
   34   2HB   LEU   5           HB1      LEU   5 -27.022  -2.994  -2.994
   35    HG   LEU   5           HG       LEU   5 -25.330  -2.141  -2.141
   36   1HD1  LEU   5          HD22      LEU   5 -27.601  -2.582  -2.582
   37   2HD1  LEU   5          HD21      LEU   5 -27.039  -0.912  -0.912
   38   3HD1  LEU   5          HD23      LEU   5 -25.921  -2.234  -2.234
   39   1HD2  LEU   5          HD12      LEU   5 -27.065  -0.838  -0.838
   40   2HD2  LEU   5          HD11      LEU   5 -25.815  -0.046  -0.046
   41   3HD2  LEU   5          HD13      LEU   5 -27.471  -0.130  -0.130
   42    H    GLU   6           HN       GLU   6 -24.508  -3.961  -3.961
   43    HA   GLU   6           HA       GLU   6 -23.843  -6.241  -6.241
   44   1HB   GLU   6           HB1      GLU   6 -23.566  -3.367  -3.367
   45   2HB   GLU   6           HB2      GLU   6 -22.840  -4.708  -4.708
   46   1HG   GLU   6           HG2      GLU   6 -22.132  -4.977  -4.977
   47   2HG   GLU   6           HG1      GLU   6 -21.842  -3.304  -3.304
   48    H    GLU   7           HN       GLU   7 -24.605  -7.400  -7.400
   49    HA   GLU   7           HA       GLU   7 -26.918  -6.321  -6.321
   50   1HB   GLU   7           HB2      GLU   7 -26.277  -8.970  -8.970
   51   2HB   GLU   7           HB1      GLU   7 -26.954  -9.002  -9.002
   52   1HG   GLU   7           HG2      GLU   7 -28.969  -8.800  -8.800
   53   2HG   GLU   7           HG1      GLU   7 -28.523  -7.201  -7.201
   54    H    VAL   8           HN       VAL   8 -24.381  -5.565  -5.565
   55    HA   VAL   8           HA       VAL   8 -23.923  -7.209  -7.209
   56    HB   VAL   8           HB       VAL   8 -21.906  -7.024  -7.024
   57   1HG1  VAL   8          HG13      VAL   8 -22.609  -4.116  -4.116
   58   2HG1  VAL   8          HG12      VAL   8 -20.954  -4.678  -4.678
   59   3HG1  VAL   8          HG11      VAL   8 -22.241  -5.255  -5.255
   60   1HG2  VAL   8          HG21      VAL   8 -21.948  -6.542  -6.542
   61   2HG2  VAL   8          HG23      VAL   8 -20.466  -6.248  -6.248
   62   3HG2  VAL   8          HG22      VAL   8 -21.518  -4.899  -4.899
   63    H    CYS   9           HN       CYS   9 -25.119  -4.219  -4.219
   64    HA   CYS   9           HA       CYS   9 -26.053  -2.447  -2.447
   65   1HB   CYS   9           HB1      CYS   9 -25.744  -4.341  -4.341
   66   2HB   CYS   9           HB2      CYS   9 -26.362  -2.710  -2.710
   67    HG   CYS   9           HG       CYS   9 -27.955  -5.028  -5.028
   68    H    VAL  10           HN       VAL  10 -24.241  -3.083  -3.083
   69    HA   VAL  10           HA       VAL  10 -22.964  -0.542  -0.542
   70    HB   VAL  10           HB       VAL  10 -22.818  -2.853  -2.853
   71   1HG1  VAL  10          HG13      VAL  10 -20.857  -0.669  -0.669
   72   2HG1  VAL  10          HG12      VAL  10 -21.415  -0.999  -0.999
   73   3HG1  VAL  10          HG11      VAL  10 -20.667  -2.283  -2.283
   74   1HG2  VAL  10          HG21      VAL  10 -24.711  -1.196  -1.196
   75   2HG2  VAL  10          HG23      VAL  10 -23.852  -1.365  -1.365
   76   3HG2  VAL  10          HG22      VAL  10 -23.538   0.025   0.025
   77    H    GLY  11           HN       GLY  11 -21.605  -3.847  -3.847
   78   1HA   GLY  11           HA2      GLY  11 -18.985  -3.506  -3.506
   79   2HA   GLY  11           HA1      GLY  11 -19.820  -4.676  -4.676
   80    H    ASP  12           HN       ASP  12 -21.051  -3.333  -3.333
   81    HA   ASP  12           HA       ASP  12 -18.904  -2.382  -2.382
   82   1HB   ASP  12           HB2      ASP  12 -21.866  -2.686  -2.686
   83   2HB   ASP  12           HB1      ASP  12 -20.550  -3.582  -3.582
   84    H    ARG  13           HN       ARG  13 -21.265  -0.874  -0.874
   85    HA   ARG  13           HA       ARG  13 -21.205   1.697   1.697
   86   1HB   ARG  13           HB2      ARG  13 -22.736   0.484   0.484
   87   2HB   ARG  13           HB1      ARG  13 -21.833   1.705   1.705
   88   1HG   ARG  13           HG2      ARG  13 -23.609   2.967   2.967
   89   2HG   ARG  13           HG1      ARG  13 -22.624   3.207   3.207
   90   1HD   ARG  13           HD2      ARG  13 -23.835   1.466   1.466
   91   2HD   ARG  13           HD1      ARG  13 -24.762   1.103   1.103
   92    HE   ARG  13           HE       ARG  13 -26.087   2.936   2.936
   93   1HH1  ARG  13          HH21      ARG  13 -23.294   3.008   3.008
   94   2HH1  ARG  13          HH22      ARG  13 -23.890   4.307   4.307
   95   1HH2  ARG  13          HH11      ARG  13 -26.882   4.653   4.653
   96   2HH2  ARG  13          HH12      ARG  13 -25.931   5.244   5.244
   97    H    LEU  14           HN       LEU  14 -20.035   0.784   0.784
   98    HA   LEU  14           HA       LEU  14 -18.321   3.030   3.030
   99   1HB   LEU  14           HB1      LEU  14 -19.242   1.924   1.924
  100   2HB   LEU  14           HB2      LEU  14 -18.365   0.457   0.457
  101    HG   LEU  14           HG       LEU  14 -17.371   1.852   1.852
  102   1HD1  LEU  14          HD12      LEU  14 -16.174   0.331   0.331
  103   2HD1  LEU  14          HD11      LEU  14 -15.257   1.835   1.835
  104   3HD1  LEU  14          HD13      LEU  14 -15.374   0.971   0.971
  105   1HD2  LEU  14          HD22      LEU  14 -17.820   4.048   4.048
  106   2HD2  LEU  14          HD21      LEU  14 -16.103   3.835   3.835
  107   3HD2  LEU  14          HD23      LEU  14 -16.695   3.699   3.699
  108    H    SER  15           HN       SER  15 -17.580  -0.440  -0.440
  109    HA   SER  15           HA       SER  15 -14.814  -0.118  -0.118
  110   1HB   SER  15           HB1      SER  15 -16.329  -2.272  -2.272
  111   2HB   SER  15           HB2      SER  15 -16.215  -2.328  -2.328
  112    HG   SER  15           HG       SER  15 -14.443  -3.184  -3.184
  113    H    GLY  16           HN       GLY  16 -17.456  -0.068  -0.068
  114   1HA   GLY  16           HA1      GLY  16 -15.899  -0.104  -0.104
  115   2HA   GLY  16           HA2      GLY  16 -17.522   0.555   0.555
  116    H    ALA  17           HN       ALA  17 -17.468   2.731   2.731
  117    HA   ALA  17           HA       ALA  17 -16.228   4.644   4.644
  118   1HB   ALA  17           HB1      ALA  17 -17.736   4.643   4.643
  119   2HB   ALA  17           HB3      ALA  17 -16.641   6.010   6.010
  120   3HB   ALA  17           HB2      ALA  17 -17.883   5.686   5.686
  121    H    ALA  18           HN       ALA  18 -15.210   3.256   3.256
  122    HA   ALA  18           HA       ALA  18 -13.047   4.909   4.909
  123   1HB   ALA  18           HB3      ALA  18 -13.964   2.278   2.278
  124   2HB   ALA  18           HB2      ALA  18 -12.207   2.438   2.438
  125   3HB   ALA  18           HB1      ALA  18 -13.214   3.569   3.569
  126    H    ALA  19           HN       ALA  19 -13.123   1.901   1.901
  127    HA   ALA  19           HA       ALA  19 -10.354   2.009   2.009
  128   1HB   ALA  19           HB2      ALA  19 -11.656  -0.090  -0.090
  129   2HB   ALA  19           HB1      ALA  19 -12.555   0.442   0.442
  130   3HB   ALA  19           HB3      ALA  19 -10.822   0.140   0.140
  131    H    ARG  20           HN       ARG  20 -13.167   3.531   3.531
  132    HA   ARG  20           HA       ARG  20 -12.369   3.886   3.886
  133   1HB   ARG  20           HB2      ARG  20 -14.368   5.226   5.226
  134   2HB   ARG  20           HB1      ARG  20 -14.025   5.886   5.886
  135   1HG   ARG  20           HG1      ARG  20 -14.437   3.184   3.184
  136   2HG   ARG  20           HG2      ARG  20 -15.645   3.615   3.615
  137   1HD   ARG  20           HD2      ARG  20 -16.660   3.991   3.991
  138   2HD   ARG  20           HD1      ARG  20 -16.238   5.581   5.581
  139    HE   ARG  20           HE       ARG  20 -14.787   5.854   5.854
  140   1HH1  ARG  20          HH11      ARG  20 -15.649   2.491   2.491
  141   2HH1  ARG  20          HH12      ARG  20 -14.877   2.045   2.045
  142   1HH2  ARG  20          HH21      ARG  20 -13.764   5.280   5.280
  143   2HH2  ARG  20          HH22      ARG  20 -13.802   3.631   3.631
  144    H    GLY  21           HN       GLY  21 -11.685   5.589   5.589
  145   1HA   GLY  21           HA1      GLY  21  -9.906   7.043   7.043
  146   2HA   GLY  21           HA2      GLY  21  -9.604   7.096   7.096
  147    H    ASP  22           HN       ASP  22 -12.727   7.729   7.729
  148    HA   ASP  22           HA       ASP  22 -12.558  10.480  10.480
  149   1HB   ASP  22           HB2      ASP  22 -15.197   9.590   9.590
  150   2HB   ASP  22           HB1      ASP  22 -14.507   8.542   8.542
  151    H    VAL  23           HN       VAL  23 -11.722  11.676  11.676
  152    HA   VAL  23           HA       VAL  23 -12.045  11.310  11.310
  153    HB   VAL  23           HB       VAL  23 -10.373  12.828  12.828
  154   1HG1  VAL  23          HG11      VAL  23 -12.717  14.609  14.609
  155   2HG1  VAL  23          HG13      VAL  23 -11.018  15.061  15.061
  156   3HG1  VAL  23          HG12      VAL  23 -11.677  13.782  13.782
  157   1HG2  VAL  23          HG23      VAL  23 -11.646  13.124  13.124
  158   2HG2  VAL  23          HG22      VAL  23 -10.314  14.160  14.160
  159   3HG2  VAL  23          HG21      VAL  23 -11.980  14.701  14.701
  160    H    GLN  24           HN       GLN  24 -14.314  12.413  12.413
  161    HA   GLN  24           HA       GLN  24 -15.909  14.010  14.010
  162   1HB   GLN  24           HB1      GLN  24 -16.222  12.892  12.892
  163   2HB   GLN  24           HB2      GLN  24 -17.658  13.453  13.453
  164   1HG   GLN  24           HG2      GLN  24 -16.175  15.585  15.585
  165   2HG   GLN  24           HG1      GLN  24 -15.329  14.991  14.991
  166   1HE2  GLN  24          HE22      GLN  24 -17.880  17.298  17.298
  167   2HE2  GLN  24          HE21      GLN  24 -16.432  17.359  17.359
  168    H    GLU  25           HN       GLU  25 -16.336  10.747  10.747
  169    HA   GLU  25           HA       GLU  25 -18.640  10.183  10.183
  170   1HB   GLU  25           HB1      GLU  25 -16.907   8.107   8.107
  171   2HB   GLU  25           HB2      GLU  25 -18.638   8.054   8.054
  172   1HG   GLU  25           HG2      GLU  25 -17.255   8.938   8.938
  173   2HG   GLU  25           HG1      GLU  25 -18.991   8.785   8.785
  174    H    VAL  26           HN       VAL  26 -15.199   9.521   9.521
  175    HA   VAL  26           HA       VAL  26 -15.243   7.556   7.556
  176    HB   VAL  26           HB       VAL  26 -13.191   8.517   8.517
  177   1HG1  VAL  26          HG13      VAL  26 -13.768  10.888  10.888
  178   2HG1  VAL  26          HG12      VAL  26 -13.294  10.533  10.533
  179   3HG1  VAL  26          HG11      VAL  26 -12.108  10.418  10.418
  180   1HG2  VAL  26          HG21      VAL  26 -13.479   7.139   7.139
  181   2HG2  VAL  26          HG23      VAL  26 -11.935   7.480   7.480
  182   3HG2  VAL  26          HG22      VAL  26 -12.510   8.514   8.514
  183    H    ARG  27           HN       ARG  27 -15.290  11.082  11.082
  184    HA   ARG  27           HA       ARG  27 -15.555  10.810  10.810
  185   1HB   ARG  27           HB2      ARG  27 -16.444  13.332  13.332
  186   2HB   ARG  27           HB1      ARG  27 -14.754  12.896  12.896
  187   1HG   ARG  27           HG1      ARG  27 -14.331  13.119  13.119
  188   2HG   ARG  27           HG2      ARG  27 -16.001  12.784  12.784
  189   1HD   ARG  27           HD1      ARG  27 -15.983  15.132  15.132
  190   2HD   ARG  27           HD2      ARG  27 -14.729  15.299  15.299
  191    HE   ARG  27           HE       ARG  27 -17.257  14.379  14.379
  192   1HH1  ARG  27          HH11      ARG  27 -15.315  17.158  17.158
  193   2HH1  ARG  27          HH12      ARG  27 -16.157  18.219  18.219
  194   1HH2  ARG  27          HH21      ARG  27 -18.373  15.769  15.769
  195   2HH2  ARG  27          HH22      ARG  27 -17.896  17.429  17.429
  196    H    ARG  28           HN       ARG  28 -17.828  11.646  11.646
  197    HA   ARG  28           HA       ARG  28 -20.094  12.015  12.015
  198   1HB   ARG  28           HB1      ARG  28 -20.359  12.749  12.749
  199   2HB   ARG  28           HB2      ARG  28 -19.643  11.299  11.299
  200   1HG   ARG  28           HG2      ARG  28 -22.090  10.712  10.712
  201   2HG   ARG  28           HG1      ARG  28 -22.335  11.905  11.905
  202   1HD   ARG  28           HD1      ARG  28 -21.759  10.448  10.448
  203   2HD   ARG  28           HD2      ARG  28 -20.720   9.485   9.485
  204    HE   ARG  28           HE       ARG  28 -22.519   8.170   8.170
  205   1HH1  ARG  28          HH21      ARG  28 -23.655  11.157  11.157
  206   2HH1  ARG  28          HH22      ARG  28 -25.306  10.641  10.641
  207   1HH2  ARG  28          HH11      ARG  28 -24.692   7.479   7.479
  208   2HH2  ARG  28          HH12      ARG  28 -25.895   8.549   8.549
  209    H    LEU  29           HN       LEU  29 -18.506   9.124   9.124
  210    HA   LEU  29           HA       LEU  29 -20.695   7.357   7.357
  211   1HB   LEU  29           HB2      LEU  29 -17.770   7.008   7.008
  212   2HB   LEU  29           HB1      LEU  29 -18.735   5.641   5.641
  213    HG   LEU  29           HG       LEU  29 -19.415   7.288   7.288
  214   1HD1  LEU  29          HD12      LEU  29 -17.228   5.522   5.522
  215   2HD1  LEU  29          HD11      LEU  29 -18.422   4.715   4.715
  216   3HD1  LEU  29          HD13      LEU  29 -17.796   6.298   6.298
  217   1HD2  LEU  29          HD22      LEU  29 -20.537   4.917   4.917
  218   2HD2  LEU  29          HD21      LEU  29 -21.325   6.141   6.141
  219   3HD2  LEU  29          HD23      LEU  29 -20.424   4.830   4.830
  220    H    LEU  30           HN       LEU  30 -17.548   7.357   7.357
  221    HA   LEU  30           HA       LEU  30 -18.469   5.952   5.952
  222   1HB   LEU  30           HB1      LEU  30 -16.022   7.638   7.638
  223   2HB   LEU  30           HB2      LEU  30 -16.308   6.770   6.770
  224    HG   LEU  30           HG       LEU  30 -16.150   5.452   5.452
  225   1HD1  LEU  30          HD12      LEU  30 -14.025   6.561   6.561
  226   2HD1  LEU  30          HD11      LEU  30 -14.041   5.449   5.449
  227   3HD1  LEU  30          HD13      LEU  30 -13.926   4.821   4.821
  228   1HD2  LEU  30          HD21      LEU  30 -16.967   4.560   4.560
  229   2HD2  LEU  30          HD23      LEU  30 -17.009   3.706   3.706
  230   3HD2  LEU  30          HD22      LEU  30 -15.552   3.665   3.665
  231    H    HIS  31           HN       HIS  31 -17.310   9.332   9.332
  232    HA   HIS  31           HA       HIS  31 -18.384   9.844   9.844
  233   1HB   HIS  31           HB1      HIS  31 -17.480  11.940  11.940
  234   2HB   HIS  31           HB2      HIS  31 -16.545  11.094  11.094
  235    HD2  HIS  31           HD2      HIS  31 -16.291  12.642  12.642
  236    HE1  HIS  31           HE1      HIS  31 -20.086  14.505  14.505
  237    HE2  HIS  31           HE2      HIS  31 -17.834  14.476  14.476
  238    H    ARG  32           HN       ARG  32 -20.096   9.441   9.441
  239    HA   ARG  32           HA       ARG  32 -22.313  11.023  11.023
  240   1HB   ARG  32           HB1      ARG  32 -21.033  11.405  11.405
  241   2HB   ARG  32           HB2      ARG  32 -22.653  10.796  10.796
  242   1HG   ARG  32           HG1      ARG  32 -23.049  12.713  12.713
  243   2HG   ARG  32           HG2      ARG  32 -21.793  13.408  13.408
  244   1HD   ARG  32           HD1      ARG  32 -23.911  12.152  12.152
  245   2HD   ARG  32           HD2      ARG  32 -24.516  13.432  13.432
  246    HE   ARG  32           HE       ARG  32 -22.413  14.617  14.617
  247   1HH1  ARG  32          HH11      ARG  32 -25.064  12.772  12.772
  248   2HH1  ARG  32          HH12      ARG  32 -25.079  13.617  13.617
  249   1HH2  ARG  32          HH21      ARG  32 -22.424  15.737  15.737
  250   2HH2  ARG  32          HH22      ARG  32 -23.578  15.302  15.302
  251    H    GLU  33           HN       GLU  33 -21.931   8.744   8.744
  252    HA   GLU  33           HA       GLU  33 -24.412   7.559   7.559
  253   1HB   GLU  33           HB1      GLU  33 -22.579   7.265   7.265
  254   2HB   GLU  33           HB2      GLU  33 -21.991   5.958   5.958
  255   1HG   GLU  33           HG1      GLU  33 -24.524   5.206   5.206
  256   2HG   GLU  33           HG2      GLU  33 -24.450   6.125   6.125
  257    H    LEU  34           HN       LEU  34 -21.703   7.215   7.215
  258    HA   LEU  34           HA       LEU  34 -21.321   6.001   6.001
  259   1HB   LEU  34           HB1      LEU  34 -24.147   6.490   6.490
  260   2HB   LEU  34           HB2      LEU  34 -23.854   4.918   4.918
  261    HG   LEU  34           HG       LEU  34 -22.960   7.615   7.615
  262   1HD1  LEU  34          HD11      LEU  34 -25.180   6.586   6.586
  263   2HD1  LEU  34          HD13      LEU  34 -24.255   5.353   5.353
  264   3HD1  LEU  34          HD12      LEU  34 -24.121   7.045   7.045
  265   1HD2  LEU  34          HD21      LEU  34 -21.661   4.986   4.986
  266   2HD2  LEU  34          HD23      LEU  34 -20.973   6.610   6.610
  267   3HD2  LEU  34          HD22      LEU  34 -21.863   6.004   6.004
  268    H    VAL  35           HN       VAL  35 -20.565   4.634   4.634
  269    HA   VAL  35           HA       VAL  35 -21.836   2.030   2.030
  270    HB   VAL  35           HB       VAL  35 -19.308   2.973   2.973
  271   1HG1  VAL  35          HG13      VAL  35 -20.505   0.398   0.398
  272   2HG1  VAL  35          HG12      VAL  35 -20.626   0.924   0.924
  273   3HG1  VAL  35          HG11      VAL  35 -19.052   0.863   0.863
  274   1HG2  VAL  35          HG22      VAL  35 -22.191   3.052   3.052
  275   2HG2  VAL  35          HG21      VAL  35 -20.990   4.343   4.343
  276   3HG2  VAL  35          HG23      VAL  35 -20.893   3.010   3.010
  277    H    HIS  36           HN       HIS  36 -21.094   0.180   0.180
  278    HA   HIS  36           HA       HIS  36 -19.496   0.227   0.227
  279   1HB   HIS  36           HB2      HIS  36 -21.110  -1.618  -1.618
  280   2HB   HIS  36           HB1      HIS  36 -19.543  -2.308  -2.308
  281    HD2  HIS  36           HD2      HIS  36 -21.783  -1.636  -1.636
  282    HE1  HIS  36           HE1      HIS  36 -18.439  -3.947  -3.947
  283    HE2  HIS  36           HE2      HIS  36 -20.752  -3.148  -3.148
  284    HA   PRO  37           HA       PRO  37 -15.340   0.412   0.412
  285   1HB   PRO  37           HB1      PRO  37 -14.091  -0.908  -0.908
  286   2HB   PRO  37           HB2      PRO  37 -14.659   0.760   0.760
  287   1HG   PRO  37           HG1      PRO  37 -15.962  -1.761  -1.761
  288   2HG   PRO  37           HG2      PRO  37 -15.818  -0.194  -0.194
  289   1HD   PRO  37           HD2      PRO  37 -18.091  -0.949  -0.949
  290   2HD   PRO  37           HD1      PRO  37 -17.551   0.744   0.744
  291    H    ASP  38           HN       ASP  38 -16.643  -2.687  -2.687
  292    HA   ASP  38           HA       ASP  38 -14.692  -4.125  -4.125
  293   1HB   ASP  38           HB2      ASP  38 -16.053  -4.697  -4.697
  294   2HB   ASP  38           HB1      ASP  38 -16.550  -5.895  -5.895
  295    H    ALA  39           HN       ALA  39 -16.772  -2.516  -2.516
  296    HA   ALA  39           HA       ALA  39 -18.785  -4.313  -4.313
  297   1HB   ALA  39           HB3      ALA  39 -18.214  -1.455  -1.455
  298   2HB   ALA  39           HB2      ALA  39 -18.829  -2.117  -2.117
  299   3HB   ALA  39           HB1      ALA  39 -19.759  -2.306  -2.306
  300    H    LEU  40           HN       LEU  40 -16.790  -5.744  -5.744
  301    HA   LEU  40           HA       LEU  40 -15.239  -5.237  -5.237
  302   1HB   LEU  40           HB1      LEU  40 -16.402  -7.880  -7.880
  303   2HB   LEU  40           HB2      LEU  40 -15.046  -7.683  -7.683
  304    HG   LEU  40           HG       LEU  40 -14.013  -6.378  -6.378
  305   1HD1  LEU  40          HD22      LEU  40 -16.421  -7.444  -7.444
  306   2HD1  LEU  40          HD21      LEU  40 -15.044  -8.233  -8.233
  307   3HD1  LEU  40          HD23      LEU  40 -15.180  -6.474  -6.474
  308   1HD2  LEU  40          HD13      LEU  40 -14.110  -9.268  -9.268
  309   2HD2  LEU  40          HD12      LEU  40 -12.750  -8.145  -8.145
  310   3HD2  LEU  40          HD11      LEU  40 -13.337  -8.791  -8.791
  311    H    ASN  41           HN       ASN  41 -15.948  -7.417  -7.417
  312    HA   ASN  41           HA       ASN  41 -18.084  -6.103  -6.103
  313   1HB   ASN  41           HB1      ASN  41 -17.172  -8.616  -8.616
  314   2HB   ASN  41           HB2      ASN  41 -17.132  -6.992  -6.992
  315   1HD2  ASN  41          HD22      ASN  41 -13.870  -6.297  -6.297
  316   2HD2  ASN  41          HD21      ASN  41 -15.438  -5.579  -5.579
  317    H    ARG  42           HN       ARG  42 -19.025  -7.039  -7.039
  318    HA   ARG  42           HA       ARG  42 -20.951  -8.046  -8.046
  319   1HB   ARG  42           HB1      ARG  42 -21.371  -8.322  -8.322
  320   2HB   ARG  42           HB2      ARG  42 -20.919  -9.993  -9.993
  321   1HG   ARG  42           HG1      ARG  42 -22.831  -9.098  -9.098
  322   2HG   ARG  42           HG2      ARG  42 -23.432  -8.825  -8.825
  323   1HD   ARG  42           HD1      ARG  42 -22.901 -11.178 -11.178
  324   2HD   ARG  42           HD2      ARG  42 -22.418 -11.429 -11.429
  325    HE   ARG  42           HE       ARG  42 -24.992 -10.411 -10.411
  326   1HH1  ARG  42          HH11      ARG  42 -23.367 -13.238 -13.238
  327   2HH1  ARG  42          HH12      ARG  42 -24.752 -14.265 -14.265
  328   1HH2  ARG  42          HH21      ARG  42 -26.821 -11.755 -11.755
  329   2HH2  ARG  42          HH22      ARG  42 -26.716 -13.422 -13.422
  330    H    PHE  43           HN       PHE  43 -17.985  -9.441  -9.441
  331    HA   PHE  43           HA       PHE  43 -17.499 -10.855 -10.855
  332   1HB   PHE  43           HB2      PHE  43 -19.552 -12.256 -12.256
  333   2HB   PHE  43           HB1      PHE  43 -18.162 -13.270 -13.270
  334    HD1  PHE  43           HD1      PHE  43 -17.367 -12.268 -12.268
  335    HD2  PHE  43           HD2      PHE  43 -21.247 -12.988 -12.988
  336    HE1  PHE  43           HE1      PHE  43 -18.243 -12.629 -12.629
  337    HE2  PHE  43           HE2      PHE  43 -22.131 -13.349 -13.349
  338    HZ   PHE  43           HZ       PHE  43 -20.629 -13.164 -13.164
  339    H    GLY  44           HN       GLY  44 -15.931  -9.628  -9.628
  340   1HA   GLY  44           HA2      GLY  44 -14.225 -11.833 -11.833
  341   2HA   GLY  44           HA1      GLY  44 -14.684 -10.599 -10.599
  342    H    LYS  45           HN       LYS  45 -13.561  -8.726  -8.726
  343    HA   LYS  45           HA       LYS  45 -11.225  -8.533  -8.533
  344   1HB   LYS  45           HB2      LYS  45 -11.961  -7.369  -7.369
  345   2HB   LYS  45           HB1      LYS  45 -10.696  -6.617  -6.617
  346   1HG   LYS  45           HG2      LYS  45  -9.340  -8.541  -8.541
  347   2HG   LYS  45           HG1      LYS  45 -10.663  -9.534  -9.534
  348   1HD   LYS  45           HD2      LYS  45 -10.289  -8.911  -8.911
  349   2HD   LYS  45           HD1      LYS  45 -10.097  -7.213  -7.213
  350   1HE   LYS  45           HE1      LYS  45  -7.807  -8.109  -8.109
  351   2HE   LYS  45           HE2      LYS  45  -8.058  -9.364  -9.364
  352   1HZ   LYS  45           HZ3      LYS  45  -8.250  -7.634  -7.634
  353   2HZ   LYS  45           HZ2      LYS  45  -7.981  -6.441  -6.441
  354   3HZ   LYS  45           HZ1      LYS  45  -6.758  -7.547  -7.547
  355    H    THR  46           HN       THR  46 -10.611  -6.524  -6.524
  356    HA   THR  46           HA       THR  46 -12.892  -5.099  -5.099
  357    HB   THR  46           HB       THR  46 -10.865  -3.859  -3.859
  358    HG1  THR  46           HG1      THR  46  -9.709  -6.369  -6.369
  359   1HG2  THR  46          HG23      THR  46 -12.553  -5.414  -5.414
  360   2HG2  THR  46          HG22      THR  46 -11.393  -6.710  -6.710
  361   3HG2  THR  46          HG21      THR  46 -10.961  -5.357  -5.357
  362    H    ALA  47           HN       ALA  47 -13.349  -2.944  -2.944
  363    HA   ALA  47           HA       ALA  47 -12.891  -1.730  -1.730
  364   1HB   ALA  47           HB2      ALA  47 -14.076  -0.962  -0.962
  365   2HB   ALA  47           HB1      ALA  47 -13.336   0.399   0.399
  366   3HB   ALA  47           HB3      ALA  47 -14.572  -0.570  -0.570
  367    H    LEU  48           HN       LEU  48 -10.853  -1.859  -1.859
  368    HA   LEU  48           HA       LEU  48  -9.275   0.446   0.446
  369   1HB   LEU  48           HB1      LEU  48  -9.466  -1.450  -1.450
  370   2HB   LEU  48           HB2      LEU  48  -7.819  -1.529  -1.529
  371    HG   LEU  48           HG       LEU  48  -9.179   1.019   1.019
  372   1HD1  LEU  48          HD11      LEU  48  -7.264  -0.770  -0.770
  373   2HD1  LEU  48          HD13      LEU  48  -7.772   0.837   0.837
  374   3HD1  LEU  48          HD12      LEU  48  -8.953  -0.467  -0.467
  375   1HD2  LEU  48          HD23      LEU  48  -7.130   0.886   0.886
  376   2HD2  LEU  48          HD22      LEU  48  -7.222   2.113   2.113
  377   3HD2  LEU  48          HD21      LEU  48  -6.236   0.671   0.671
  378    H    GLN  49           HN       GLN  49  -8.328  -2.992  -2.992
  379    HA   GLN  49           HA       GLN  49  -5.997  -2.701  -2.701
  380   1HB   GLN  49           HB2      GLN  49  -7.150  -4.785  -4.785
  381   2HB   GLN  49           HB1      GLN  49  -7.677  -5.119  -5.119
  382   1HG   GLN  49           HG1      GLN  49  -5.294  -5.003  -5.003
  383   2HG   GLN  49           HG2      GLN  49  -4.848  -4.863  -4.863
  384   1HE2  GLN  49          HE22      GLN  49  -4.410  -8.359  -8.359
  385   2HE2  GLN  49          HE21      GLN  49  -3.620  -6.834  -6.834
  386    H    VAL  50           HN       VAL  50  -9.306  -3.038  -3.038
  387    HA   VAL  50           HA       VAL  50  -8.535  -3.221  -3.221
  388    HB   VAL  50           HB       VAL  50 -10.954  -2.972  -2.972
  389   1HG1  VAL  50          HG12      VAL  50  -9.646  -5.080  -5.080
  390   2HG1  VAL  50          HG11      VAL  50 -11.280  -4.962  -4.962
  391   3HG1  VAL  50          HG13      VAL  50 -11.039  -5.172  -5.172
  392   1HG2  VAL  50          HG21      VAL  50 -10.946  -1.941  -1.941
  393   2HG2  VAL  50          HG23      VAL  50 -12.212  -1.868  -1.868
  394   3HG2  VAL  50          HG22      VAL  50 -12.097  -3.268  -3.268
  395    H    MET  51           HN       MET  51  -9.043  -0.675  -0.675
  396    HA   MET  51           HA       MET  51  -9.945   1.369   1.369
  397   1HB   MET  51           HB1      MET  51  -9.767   2.644   2.644
  398   2HB   MET  51           HB2      MET  51  -9.293   1.168   1.168
  399   1HG   MET  51           HG2      MET  51  -6.899   1.818   1.818
  400   2HG   MET  51           HG1      MET  51  -7.597   3.423   3.423
  401   1HE   MET  51           HE1      MET  51  -5.383   1.890   1.890
  402   2HE   MET  51           HE3      MET  51  -5.260   3.532   3.532
  403   3HE   MET  51           HE2      MET  51  -5.558   2.185   2.185
  404    H    MET  52           HN       MET  52  -8.919   2.896   2.896
  405    HA   MET  52           HA       MET  52  -6.418   2.081   2.081
  406   1HB   MET  52           HB1      MET  52  -6.751   3.875   3.875
  407   2HB   MET  52           HB2      MET  52  -8.292   3.062   3.062
  408   1HG   MET  52           HG1      MET  52  -9.063   5.155   5.155
  409   2HG   MET  52           HG2      MET  52  -8.491   4.988   4.988
  410   1HE   MET  52           HE3      MET  52  -7.938   5.976   5.976
  411   2HE   MET  52           HE2      MET  52  -7.359   7.636   7.636
  412   3HE   MET  52           HE1      MET  52  -6.208   6.314   6.314
  413    H    PHE  53           HN       PHE  53  -4.508   2.569   2.569
  414    HA   PHE  53           HA       PHE  53  -4.183   4.507   4.507
  415   1HB   PHE  53           HB2      PHE  53  -2.146   2.969   2.969
  416   2HB   PHE  53           HB1      PHE  53  -1.747   3.985   3.985
  417    HD1  PHE  53           HD2      PHE  53  -3.828   1.059   1.059
  418    HD2  PHE  53           HD1      PHE  53  -1.731   3.086   3.086
  419    HE1  PHE  53           HE2      PHE  53  -4.237  -0.845  -0.845
  420    HE2  PHE  53           HE1      PHE  53  -2.138   1.184   1.184
  421    HZ   PHE  53           HZ       PHE  53  -3.392  -0.782  -0.782
  422    H    GLY  54           HN       GLY  54  -5.288   6.072   6.072
  423   1HA   GLY  54           HA2      GLY  54  -3.084   7.607   7.607
  424   2HA   GLY  54           HA1      GLY  54  -4.667   7.463   7.463
  425    H    SER  55           HN       SER  55  -6.400   7.901   7.901
  426    HA   SER  55           HA       SER  55  -6.056  10.728  10.728
  427   1HB   SER  55           HB1      SER  55  -8.329   8.876   8.876
  428   2HB   SER  55           HB2      SER  55  -8.357  10.636  10.636
  429    HG   SER  55           HG       SER  55  -8.406  10.784  10.784
  430    HA   PRO  56           HA       PRO  56  -4.316  10.099  10.099
  431   1HB   PRO  56           HB2      PRO  56  -4.357  12.697  12.697
  432   2HB   PRO  56           HB1      PRO  56  -3.167  12.058  12.058
  433   1HG   PRO  56           HG2      PRO  56  -5.681  13.591  13.591
  434   2HG   PRO  56           HG1      PRO  56  -4.080  13.770  13.770
  435   1HD   PRO  56           HD1      PRO  56  -6.109  12.441  12.441
  436   2HD   PRO  56           HD2      PRO  56  -4.405  11.997  11.997
  437    H    ALA  57           HN       ALA  57  -7.227  12.060  12.060
  438    HA   ALA  57           HA       ALA  57  -8.086  12.088  12.088
  439   1HB   ALA  57           HB3      ALA  57  -9.181  12.827  12.827
  440   2HB   ALA  57           HB2      ALA  57 -10.405  12.220  12.220
  441   3HB   ALA  57           HB1      ALA  57  -9.392  13.586  13.586
  442    H    VAL  58           HN       VAL  58  -8.682   9.811   9.811
  443    HA   VAL  58           HA       VAL  58 -10.648   8.275   8.275
  444    HB   VAL  58           HB       VAL  58 -10.294   6.644   6.644
  445   1HG1  VAL  58          HG21      VAL  58  -9.597   9.336   9.336
  446   2HG1  VAL  58          HG23      VAL  58 -10.181   7.955   7.955
  447   3HG1  VAL  58          HG22      VAL  58 -11.217   8.703   8.703
  448   1HG2  VAL  58          HG13      VAL  58  -7.529   7.422   7.422
  449   2HG2  VAL  58          HG12      VAL  58  -8.224   5.933   5.933
  450   3HG2  VAL  58          HG11      VAL  58  -8.024   7.332   7.332
  451    H    ALA  59           HN       ALA  59  -7.161   8.271   8.271
  452    HA   ALA  59           HA       ALA  59  -6.818   5.751   5.751
  453   1HB   ALA  59           HB1      ALA  59  -5.190   8.015   8.015
  454   2HB   ALA  59           HB3      ALA  59  -4.841   7.482   7.482
  455   3HB   ALA  59           HB2      ALA  59  -4.704   6.346   6.346
  456    H    LEU  60           HN       LEU  60  -6.810   8.972   8.972
  457    HA   LEU  60           HA       LEU  60  -6.899   8.004   8.004
  458   1HB   LEU  60           HB2      LEU  60  -6.168  10.261  10.261
  459   2HB   LEU  60           HB1      LEU  60  -7.764  10.666  10.666
  460    HG   LEU  60           HG       LEU  60  -7.341   9.819   9.819
  461   1HD1  LEU  60          HD12      LEU  60  -6.496  12.291  12.291
  462   2HD1  LEU  60          HD11      LEU  60  -7.613  12.552  12.552
  463   3HD1  LEU  60          HD13      LEU  60  -6.117  11.656  11.656
  464   1HD2  LEU  60          HD21      LEU  60  -9.521  11.016  11.016
  465   2HD2  LEU  60          HD23      LEU  60  -9.593   9.822   9.822
  466   3HD2  LEU  60          HD22      LEU  60  -9.365  11.527  11.527
  467    H    GLU  61           HN       GLU  61  -9.436   8.892   8.892
  468    HA   GLU  61           HA       GLU  61 -11.601   8.838   8.838
  469   1HB   GLU  61           HB2      GLU  61 -11.387   8.441   8.441
  470   2HB   GLU  61           HB1      GLU  61 -12.931   8.315   8.315
  471   1HG   GLU  61           HG2      GLU  61 -13.141  10.500  10.500
  472   2HG   GLU  61           HG1      GLU  61 -11.853  10.695  10.695
  473    H    LEU  62           HN       LEU  62 -10.707   6.343   6.343
  474    HA   LEU  62           HA       LEU  62 -12.396   4.362   4.362
  475   1HB   LEU  62           HB2      LEU  62 -10.360   4.570   4.570
  476   2HB   LEU  62           HB1      LEU  62 -10.275   3.029   3.029
  477    HG   LEU  62           HG       LEU  62 -12.717   4.156   4.156
  478   1HD1  LEU  62          HD11      LEU  62 -10.609   2.206   2.206
  479   2HD1  LEU  62          HD13      LEU  62 -12.259   2.001   2.001
  480   3HD1  LEU  62          HD12      LEU  62 -11.377   3.487   3.487
  481   1HD2  LEU  62          HD21      LEU  62 -13.259   2.776   2.776
  482   2HD2  LEU  62          HD23      LEU  62 -13.744   2.008   2.008
  483   3HD2  LEU  62          HD22      LEU  62 -12.291   1.463   1.463
  484    H    LEU  63           HN       LEU  63  -8.946   5.005   5.005
  485    HA   LEU  63           HA       LEU  63  -8.426   2.790   2.790
  486   1HB   LEU  63           HB2      LEU  63  -6.722   4.235   4.235
  487   2HB   LEU  63           HB1      LEU  63  -7.040   5.467   5.467
  488    HG   LEU  63           HG       LEU  63  -6.473   3.416   3.416
  489   1HD1  LEU  63          HD23      LEU  63  -4.990   2.864   2.864
  490   2HD1  LEU  63          HD22      LEU  63  -4.479   2.253   2.253
  491   3HD1  LEU  63          HD21      LEU  63  -6.038   1.771   1.771
  492   1HD2  LEU  63          HD13      LEU  63  -5.434   5.660   5.660
  493   2HD2  LEU  63          HD12      LEU  63  -4.275   4.366   4.366
  494   3HD2  LEU  63          HD11      LEU  63  -4.374   5.102   5.102
  495    H    LYS  64           HN       LYS  64  -9.152   6.175   6.175
  496    HA   LYS  64           HA       LYS  64  -9.112   5.793   5.793
  497   1HB   LYS  64           HB1      LYS  64  -9.016   8.003   8.003
  498   2HB   LYS  64           HB2      LYS  64 -10.720   7.833   7.833
  499   1HG   LYS  64           HG1      LYS  64 -11.320   7.867   7.867
  500   2HG   LYS  64           HG2      LYS  64  -9.619   7.874   7.874
  501   1HD   LYS  64           HD1      LYS  64  -9.955  10.105  10.105
  502   2HD   LYS  64           HD2      LYS  64  -9.657  10.026  10.026
  503   1HE   LYS  64           HE2      LYS  64 -11.666  10.901  10.901
  504   2HE   LYS  64           HE1      LYS  64 -12.382   9.451   9.451
  505   1HZ   LYS  64           HZ2      LYS  64 -12.087  10.553  10.553
  506   2HZ   LYS  64           HZ1      LYS  64 -11.681  11.975  11.975
  507   3HZ   LYS  64           HZ3      LYS  64 -13.218  11.293  11.293
  508    H    GLN  65           HN       GLN  65 -11.674   5.451   5.451
  509    HA   GLN  65           HA       GLN  65 -13.969   5.376   5.376
  510   1HB   GLN  65           HB2      GLN  65 -13.292   4.522   4.522
  511   2HB   GLN  65           HB1      GLN  65 -13.504   2.961   2.961
  512   1HG   GLN  65           HG2      GLN  65 -15.493   4.996   4.996
  513   2HG   GLN  65           HG1      GLN  65 -15.623   3.238   3.238
  514   1HE2  GLN  65          HE22      GLN  65 -17.095   3.106   3.106
  515   2HE2  GLN  65          HE21      GLN  65 -16.478   2.261   2.261
  516    H    GLY  66           HN       GLY  66 -11.906   2.472   2.472
  517   1HA   GLY  66           HA1      GLY  66 -11.740   1.742   1.742
  518   2HA   GLY  66           HA2      GLY  66 -13.314   1.141   1.141
  519    H    ALA  67           HN       ALA  67 -12.203   0.733   0.733
  520    HA   ALA  67           HA       ALA  67 -11.678  -1.984  -1.984
  521   1HB   ALA  67           HB3      ALA  67 -10.893  -0.005  -0.005
  522   2HB   ALA  67           HB2      ALA  67 -10.806  -1.757  -1.757
  523   3HB   ALA  67           HB1      ALA  67 -12.366  -0.974  -0.974
  524    H    SER  68           HN       SER  68  -9.816  -3.236  -3.236
  525    HA   SER  68           HA       SER  68  -7.426  -1.921  -1.921
  526   1HB   SER  68           HB1      SER  68  -8.722  -4.345  -4.345
  527   2HB   SER  68           HB2      SER  68  -7.201  -4.793  -4.793
  528    HG   SER  68           HG       SER  68  -6.313  -4.349  -4.349
  529    HA   PRO  69           HA       PRO  69  -5.655  -2.236  -2.236
  530   1HB   PRO  69           HB2      PRO  69  -3.237  -1.182  -1.182
  531   2HB   PRO  69           HB1      PRO  69  -4.683  -0.194  -0.194
  532   1HG   PRO  69           HG1      PRO  69  -3.442  -1.150  -1.150
  533   2HG   PRO  69           HG2      PRO  69  -4.101   0.449   0.449
  534   1HD   PRO  69           HD1      PRO  69  -5.484  -1.380  -1.380
  535   2HD   PRO  69           HD2      PRO  69  -6.279  -0.223  -0.223
  536    H    ASN  70           HN       ASN  70  -4.483  -3.648  -3.648
  537    HA   ASN  70           HA       ASN  70  -2.287  -5.079  -5.079
  538   1HB   ASN  70           HB2      ASN  70  -3.713  -6.130  -6.130
  539   2HB   ASN  70           HB1      ASN  70  -1.985  -5.953  -5.953
  540   1HD2  ASN  70          HD22      ASN  70  -1.727  -2.897  -2.897
  541   2HD2  ASN  70          HD21      ASN  70  -0.961  -4.230  -4.230
  542    H    VAL  71           HN       VAL  71  -3.586  -5.765  -5.765
  543    HA   VAL  71           HA       VAL  71  -4.889  -8.351  -8.351
  544    HB   VAL  71           HB       VAL  71  -6.246  -7.988  -7.988
  545   1HG1  VAL  71          HG21      VAL  71  -6.533  -6.032  -6.032
  546   2HG1  VAL  71          HG23      VAL  71  -7.764  -6.270  -6.270
  547   3HG1  VAL  71          HG22      VAL  71  -7.310  -7.604  -7.604
  548   1HG2  VAL  71          HG12      VAL  71  -4.672  -6.280  -6.280
  549   2HG2  VAL  71          HG11      VAL  71  -6.382  -5.861  -5.861
  550   3HG2  VAL  71          HG13      VAL  71  -5.353  -5.119  -5.119
  551    H    GLN  72           HN       GLN  72  -4.429 -10.053 -10.053
  552    HA   GLN  72           HA       GLN  72  -2.413  -9.563  -9.563
  553   1HB   GLN  72           HB1      GLN  72  -2.277 -11.791 -11.791
  554   2HB   GLN  72           HB2      GLN  72  -1.152 -11.536 -11.536
  555   1HG   GLN  72           HG1      GLN  72  -0.314  -9.547  -9.547
  556   2HG   GLN  72           HG2      GLN  72  -1.609  -9.511  -9.511
  557   1HE2  GLN  72          HE22      GLN  72   0.705 -10.872 -10.872
  558   2HE2  GLN  72          HE21      GLN  72  -0.244  -9.503  -9.503
  559    H    ASP  73           HN       ASP  73  -2.749 -10.631 -10.631
  560    HA   ASP  73           HA       ASP  73  -5.037 -12.460 -12.460
  561   1HB   ASP  73           HB2      ASP  73  -4.950 -12.045 -12.045
  562   2HB   ASP  73           HB1      ASP  73  -3.600 -10.946 -10.946
  563    H    ALA  74           HN       ALA  74  -4.549 -13.862 -13.862
  564    HA   ALA  74           HA       ALA  74  -3.270 -16.107 -16.107
  565   1HB   ALA  74           HB3      ALA  74  -3.614 -14.768 -14.768
  566   2HB   ALA  74           HB2      ALA  74  -2.557 -16.179 -16.179
  567   3HB   ALA  74           HB1      ALA  74  -4.245 -16.311 -16.311
  568    H    SER  75           HN       SER  75  -1.525 -13.829 -13.829
  569    HA   SER  75           HA       SER  75   1.010 -14.894 -14.894
  570   1HB   SER  75           HB1      SER  75   1.002 -12.022 -12.022
  571   2HB   SER  75           HB2      SER  75   1.708 -13.362 -13.362
  572    HG   SER  75           HG       SER  75  -0.365 -12.027 -12.027
  573    H    GLY  76           HN       GLY  76  -0.821 -12.396 -12.396
  574   1HA   GLY  76           HA2      GLY  76  -0.541 -11.835 -11.835
  575   2HA   GLY  76           HA1      GLY  76   1.062 -12.553 -12.553
  576    H    THR  77           HN       THR  77  -0.460 -10.032 -10.032
  577    HA   THR  77           HA       THR  77   1.795  -8.271  -8.271
  578    HB   THR  77           HB       THR  77   0.403  -7.335  -7.335
  579    HG1  THR  77           HG1      THR  77  -0.282  -9.367  -9.367
  580   1HG2  THR  77          HG23      THR  77   3.063  -7.742  -7.742
  581   2HG2  THR  77          HG22      THR  77   2.863  -8.562  -8.562
  582   3HG2  THR  77          HG21      THR  77   2.479  -6.847  -6.847
  583    H    SER  78           HN       SER  78   0.506  -7.712  -7.712
  584    HA   SER  78           HA       SER  78  -1.974  -6.618  -6.618
  585   1HB   SER  78           HB2      SER  78  -0.134  -4.974  -4.974
  586   2HB   SER  78           HB1      SER  78  -1.354  -6.115  -6.115
  587    HG   SER  78           HG       SER  78   0.925  -6.601  -6.601
  588    HA   PRO  79           HA       PRO  79  -2.475  -2.754  -2.754
  589   1HB   PRO  79           HB1      PRO  79  -2.606  -0.933  -0.933
  590   2HB   PRO  79           HB2      PRO  79  -3.966  -1.785  -1.785
  591   1HG   PRO  79           HG1      PRO  79  -2.431  -2.431  -2.431
  592   2HG   PRO  79           HG2      PRO  79  -4.157  -2.651  -2.651
  593   1HD   PRO  79           HD1      PRO  79  -2.471  -4.724  -4.724
  594   2HD   PRO  79           HD2      PRO  79  -3.794  -4.617  -4.617
  595    H    VAL  80           HN       VAL  80  -0.098  -2.753  -2.753
  596    HA   VAL  80           HA       VAL  80   1.292  -0.433  -0.433
  597    HB   VAL  80           HB       VAL  80   1.574  -2.470  -2.470
  598   1HG1  VAL  80          HG13      VAL  80   4.131  -1.831  -1.831
  599   2HG1  VAL  80          HG12      VAL  80   4.063  -2.491  -2.491
  600   3HG1  VAL  80          HG11      VAL  80   3.422  -3.421  -3.421
  601   1HG2  VAL  80          HG23      VAL  80   1.440   0.117   0.117
  602   2HG2  VAL  80          HG22      VAL  80   2.397  -0.741  -0.741
  603   3HG2  VAL  80          HG21      VAL  80   3.196   0.036   0.036
  604    H    HIS  81           HN       HIS  81   2.009  -3.864  -3.864
  605    HA   HIS  81           HA       HIS  81   4.278  -3.542  -3.542
  606   1HB   HIS  81           HB1      HIS  81   2.092  -5.612  -5.612
  607   2HB   HIS  81           HB2      HIS  81   3.492  -5.709  -5.709
  608    HD2  HIS  81           HD2      HIS  81   6.014  -5.719  -5.719
  609    HE1  HIS  81           HE1      HIS  81   4.080  -7.678  -7.678
  610    HE2  HIS  81           HE2      HIS  81   6.311  -6.918  -6.918
  611    H    ASP  82           HN       ASP  82   0.919  -3.787  -3.787
  612    HA   ASP  82           HA       ASP  82   1.507  -3.344  -3.344
  613   1HB   ASP  82           HB1      ASP  82  -1.028  -2.735  -2.735
  614   2HB   ASP  82           HB2      ASP  82  -0.639  -4.249  -4.249
  615    H    ALA  83           HN       ALA  83   0.397  -1.048  -1.048
  616    HA   ALA  83           HA       ALA  83   0.286   1.245   1.245
  617   1HB   ALA  83           HB2      ALA  83  -0.248   0.782   0.782
  618   2HB   ALA  83           HB1      ALA  83   1.362   1.462   1.462
  619   3HB   ALA  83           HB3      ALA  83   0.111   2.409   2.409
  620    H    ALA  84           HN       ALA  84   3.072  -0.420  -0.420
  621    HA   ALA  84           HA       ALA  84   4.931   1.706   1.706
  622   1HB   ALA  84           HB3      ALA  84   5.299  -1.263  -1.263
  623   2HB   ALA  84           HB2      ALA  84   6.638  -0.121  -0.121
  624   3HB   ALA  84           HB1      ALA  84   5.488  -0.005  -0.005
  625    H    ARG  85           HN       ARG  85   4.811  -1.408  -1.408
  626    HA   ARG  85           HA       ARG  85   6.384  -0.562  -0.562
  627   1HB   ARG  85           HB2      ARG  85   6.207  -2.876  -2.876
  628   2HB   ARG  85           HB1      ARG  85   4.455  -2.825  -2.825
  629   1HG   ARG  85           HG1      ARG  85   4.138  -2.857  -2.857
  630   2HG   ARG  85           HG2      ARG  85   5.585  -1.902  -1.902
  631   1HD   ARG  85           HD1      ARG  85   6.811  -3.723  -3.723
  632   2HD   ARG  85           HD2      ARG  85   6.243  -4.488  -4.488
  633    HE   ARG  85           HE       ARG  85   4.678  -5.647  -5.647
  634   1HH1  ARG  85          HH11      ARG  85   6.097  -3.151  -3.151
  635   2HH1  ARG  85          HH12      ARG  85   5.383  -3.727  -3.727
  636   1HH2  ARG  85          HH21      ARG  85   3.731  -6.413  -6.413
  637   2HH2  ARG  85          HH22      ARG  85   4.036  -5.580  -5.580
  638    H    THR  86           HN       THR  86   3.100   0.089   0.089
  639    HA   THR  86           HA       THR  86   2.190   0.481   0.481
  640    HB   THR  86           HB       THR  86   0.351   1.818   1.818
  641    HG1  THR  86           HG1      THR  86   1.129   2.260   2.260
  642   1HG2  THR  86          HG21      THR  86   0.787  -0.996  -0.996
  643   2HG2  THR  86          HG23      THR  86  -0.053  -0.631  -0.631
  644   3HG2  THR  86          HG22      THR  86  -0.727  -0.092  -0.092
  645    H    GLY  87           HN       GLY  87   3.854   2.436   2.436
  646   1HA   GLY  87           HA2      GLY  87   4.934   4.456   4.456
  647   2HA   GLY  87           HA1      GLY  87   4.420   4.437   4.437
  648    H    PHE  88           HN       PHE  88   3.270   5.048   5.048
  649    HA   PHE  88           HA       PHE  88   1.842   7.385   7.385
  650   1HB   PHE  88           HB2      PHE  88   0.393   4.951   4.951
  651   2HB   PHE  88           HB1      PHE  88  -0.304   6.564   6.564
  652    HD1  PHE  88           HD1      PHE  88   0.788   3.907   3.907
  653    HD2  PHE  88           HD2      PHE  88  -1.176   7.674   7.674
  654    HE1  PHE  88           HE1      PHE  88  -0.054   3.690   3.690
  655    HE2  PHE  88           HE2      PHE  88  -2.023   7.464   7.464
  656    HZ   PHE  88           HZ       PHE  88  -1.462   5.471   5.471
  657    H    LEU  89           HN       LEU  89   3.843   7.726   7.726
  658    HA   LEU  89           HA       LEU  89   3.827   7.257   7.257
  659   1HB   LEU  89           HB1      LEU  89   5.095   9.188   9.188
  660   2HB   LEU  89           HB2      LEU  89   4.926   9.762   9.762
  661    HG   LEU  89           HG       LEU  89   6.406   7.308   7.308
  662   1HD1  LEU  89          HD12      LEU  89   7.348   9.750   9.750
  663   2HD1  LEU  89          HD11      LEU  89   7.543   9.495   9.495
  664   3HD1  LEU  89          HD13      LEU  89   8.342   8.418   8.418
  665   1HD2  LEU  89          HD21      LEU  89   5.051   7.652   7.652
  666   2HD2  LEU  89          HD23      LEU  89   6.199   6.387   6.387
  667   3HD2  LEU  89          HD22      LEU  89   6.768   7.866   7.866
  668    H    ASP  90           HN       ASP  90   1.720   9.288   9.288
  669    HA   ASP  90           HA       ASP  90   1.096  11.262  11.262
  670   1HB   ASP  90           HB2      ASP  90  -0.954  11.584  11.584
  671   2HB   ASP  90           HB1      ASP  90  -0.889   9.948   9.948
  672    H    THR  91           HN       THR  91  -0.986   8.448   8.448
  673    HA   THR  91           HA       THR  91  -2.333   8.643   8.643
  674    HB   THR  91           HB       THR  91  -3.042   7.449   7.449
  675    HG1  THR  91           HG1      THR  91  -4.576   6.465   6.465
  676   1HG2  THR  91          HG23      THR  91  -1.685   5.180   5.180
  677   2HG2  THR  91          HG22      THR  91  -2.784   5.026   5.026
  678   3HG2  THR  91          HG21      THR  91  -1.234   5.844   5.844
  679    H    LEU  92           HN       LEU  92   0.453   6.829   6.829
  680    HA   LEU  92           HA       LEU  92   0.778   5.019   5.019
  681   1HB   LEU  92           HB1      LEU  92   2.230   5.735   5.735
  682   2HB   LEU  92           HB2      LEU  92   3.251   6.334   6.334
  683    HG   LEU  92           HG       LEU  92   2.384   3.645   3.645
  684   1HD1  LEU  92          HD11      LEU  92   3.475   4.188   4.188
  685   2HD1  LEU  92          HD13      LEU  92   3.899   2.699   2.699
  686   3HD1  LEU  92          HD12      LEU  92   2.209   3.067   3.067
  687   1HD2  LEU  92          HD21      LEU  92   4.581   5.285   5.285
  688   2HD2  LEU  92          HD23      LEU  92   4.416   3.600   3.600
  689   3HD2  LEU  92          HD22      LEU  92   5.181   4.000   4.000
  690    H    LYS  93           HN       LYS  93   2.048   8.325   8.325
  691    HA   LYS  93           HA       LYS  93   3.309   8.522   8.522
  692   1HB   LYS  93           HB2      LYS  93   2.355  10.337  10.337
  693   2HB   LYS  93           HB1      LYS  93   2.112  11.022  11.022
  694   1HG   LYS  93           HG2      LYS  93   4.209  11.779  11.779
  695   2HG   LYS  93           HG1      LYS  93   4.605  10.237  10.237
  696   1HD   LYS  93           HD1      LYS  93   4.465   9.349   9.349
  697   2HD   LYS  93           HD2      LYS  93   4.766  11.042  11.042
  698   1HE   LYS  93           HE2      LYS  93   6.519   9.075   9.075
  699   2HE   LYS  93           HE1      LYS  93   6.909  10.207  10.207
  700   1HZ   LYS  93           HZ1      LYS  93   6.538  12.005  12.005
  701   2HZ   LYS  93           HZ3      LYS  93   6.561  10.782  10.782
  702   3HZ   LYS  93           HZ2      LYS  93   7.923  11.057  11.057
  703    H    VAL  94           HN       VAL  94  -0.094   8.904   8.904
  704    HA   VAL  94           HA       VAL  94  -0.866   9.794   9.794
  705    HB   VAL  94           HB       VAL  94  -2.564   8.690   8.690
  706   1HG1  VAL  94          HG23      VAL  94  -3.244   9.105   9.105
  707   2HG1  VAL  94          HG22      VAL  94  -3.894  10.496  10.496
  708   3HG1  VAL  94          HG21      VAL  94  -4.346   8.862   8.862
  709   1HG2  VAL  94          HG13      VAL  94  -1.257  11.231  11.231
  710   2HG2  VAL  94          HG12      VAL  94  -2.143  10.628  10.628
  711   3HG2  VAL  94          HG11      VAL  94  -3.008  11.425  11.425
  712    H    LEU  95           HN       LEU  95  -1.747   6.796   6.796
  713    HA   LEU  95           HA       LEU  95  -2.599   5.520   5.520
  714   1HB   LEU  95           HB1      LEU  95  -2.954   3.560   3.560
  715   2HB   LEU  95           HB2      LEU  95  -3.614   4.999   4.999
  716    HG   LEU  95           HG       LEU  95  -1.269   5.013   5.013
  717   1HD1  LEU  95          HD22      LEU  95  -0.894   2.780   2.780
  718   2HD1  LEU  95          HD21      LEU  95  -1.547   2.089   2.089
  719   3HD1  LEU  95          HD23      LEU  95  -0.100   3.096   3.096
  720   1HD2  LEU  95          HD11      LEU  95  -3.792   3.549   3.549
  721   2HD2  LEU  95          HD13      LEU  95  -3.081   4.947   4.947
  722   3HD2  LEU  95          HD12      LEU  95  -2.417   3.337   3.337
  723    H    VAL  96           HN       VAL  96   0.176   4.904   4.904
  724    HA   VAL  96           HA       VAL  96   1.292   2.802   2.802
  725    HB   VAL  96           HB       VAL  96   2.046   4.324   4.324
  726   1HG1  VAL  96          HG23      VAL  96   4.185   4.521   4.521
  727   2HG1  VAL  96          HG22      VAL  96   4.470   4.754   4.754
  728   3HG1  VAL  96          HG21      VAL  96   3.396   5.848   5.848
  729   1HG2  VAL  96          HG12      VAL  96   2.740   1.825   1.825
  730   2HG2  VAL  96          HG11      VAL  96   2.592   2.225   2.225
  731   3HG2  VAL  96          HG13      VAL  96   4.110   2.523   2.523
  732    H    GLU  97           HN       GLU  97   1.289   6.169   6.169
  733    HA   GLU  97           HA       GLU  97   3.465   6.040   6.040
  734   1HB   GLU  97           HB2      GLU  97   2.811   8.234   8.234
  735   2HB   GLU  97           HB1      GLU  97   2.591   8.143   8.143
  736   1HG   GLU  97           HG1      GLU  97   0.431   7.909   7.909
  737   2HG   GLU  97           HG2      GLU  97   0.752   9.311   9.311
  738    H    HIS  98           HN       HIS  98   0.049   5.367   5.367
  739    HA   HIS  98           HA       HIS  98  -0.259   5.455   5.455
  740   1HB   HIS  98           HB2      HIS  98  -1.848   4.731   4.731
  741   2HB   HIS  98           HB1      HIS  98  -1.960   3.438   3.438
  742    HD2  HIS  98           HD2      HIS  98  -2.286   7.379   7.379
  743    HE1  HIS  98           HE1      HIS  98  -5.196   5.518   5.518
  744    HE2  HIS  98           HE2      HIS  98  -4.391   7.719   7.719
  745    H    GLY  99           HN       GLY  99  -0.120   2.520   2.520
  746   1HA   GLY  99           HA2      GLY  99   1.949   1.164   1.164
  747   2HA   GLY  99           HA1      GLY  99   0.684   0.938   0.938
  748    H    ALA 100           HN       ALA 100   0.255   1.133   1.133
  749    HA   ALA 100           HA       ALA 100  -1.365  -1.189  -1.189
  750   1HB   ALA 100           HB2      ALA 100  -0.116   0.511   0.511
  751   2HB   ALA 100           HB1      ALA 100  -1.063  -0.927  -0.927
  752   3HB   ALA 100           HB3      ALA 100  -1.809   0.414   0.414
  753    H    ASP 101           HN       ASP 101   0.478  -2.387  -2.387
  754    HA   ASP 101           HA       ASP 101   2.224  -3.882  -3.882
  755   1HB   ASP 101           HB2      ASP 101   1.819  -5.582  -5.582
  756   2HB   ASP 101           HB1      ASP 101   0.294  -4.705  -4.705
  757    H    VAL 102           HN       VAL 102   3.663  -2.004  -2.004
  758    HA   VAL 102           HA       VAL 102   4.687  -2.142  -2.142
  759    HB   VAL 102           HB       VAL 102   6.204  -0.433  -0.433
  760   1HG1  VAL 102          HG13      VAL 102   5.421  -0.534  -0.534
  761   2HG1  VAL 102          HG12      VAL 102   4.676   0.924   0.924
  762   3HG1  VAL 102          HG11      VAL 102   6.420   0.693   0.693
  763   1HG2  VAL 102          HG23      VAL 102   3.220  -0.164  -0.164
  764   2HG2  VAL 102          HG22      VAL 102   4.326  -0.052  -0.052
  765   3HG2  VAL 102          HG21      VAL 102   4.254   1.253   1.253
  766    H    ASN 103           HN       ASN 103   5.049  -4.297  -4.297
  767    HA   ASN 103           HA       ASN 103   7.920  -4.638  -4.638
  768   1HB   ASN 103           HB2      ASN 103   7.092  -5.587  -5.587
  769   2HB   ASN 103           HB1      ASN 103   8.520  -4.670  -4.670
  770   1HD2  ASN 103          HD22      ASN 103   7.013  -1.500  -1.500
  771   2HD2  ASN 103          HD21      ASN 103   8.125  -2.342  -2.342
  772    H    ALA 104           HN       ALA 104   5.642  -5.817  -5.817
  773    HA   ALA 104           HA       ALA 104   5.926  -8.612  -8.612
  774   1HB   ALA 104           HB2      ALA 104   3.549  -7.281  -7.281
  775   2HB   ALA 104           HB1      ALA 104   3.688  -9.014  -9.014
  776   3HB   ALA 104           HB3      ALA 104   3.663  -7.884  -7.884
  777    H    LEU 105           HN       LEU 105   5.098 -10.071 -10.071
  778    HA   LEU 105           HA       LEU 105   6.145  -9.118  -9.118
  779   1HB   LEU 105           HB1      LEU 105   7.256 -11.737 -11.737
  780   2HB   LEU 105           HB2      LEU 105   7.994 -10.403 -10.403
  781    HG   LEU 105           HG       LEU 105   7.584 -10.165 -10.165
  782   1HD1  LEU 105          HD11      LEU 105   8.706 -12.410 -12.410
  783   2HD1  LEU 105          HD13      LEU 105  10.099 -11.376 -11.376
  784   3HD1  LEU 105          HD12      LEU 105   9.403 -11.444 -11.444
  785   1HD2  LEU 105          HD21      LEU 105   8.930  -8.732  -8.732
  786   2HD2  LEU 105          HD23      LEU 105   8.657  -8.267  -8.267
  787   3HD2  LEU 105          HD22      LEU 105  10.078  -9.216  -9.216
  788    H    ASP 106           HN       ASP 106   5.837 -10.779 -10.779
  789    HA   ASP 106           HA       ASP 106   3.228 -11.966 -11.966
  790   1HB   ASP 106           HB1      ASP 106   3.355 -10.934 -10.934
  791   2HB   ASP 106           HB2      ASP 106   3.738 -12.598 -12.598
  792    H    SER 107           HN       SER 107   6.168 -13.248 -13.248
  793    HA   SER 107           HA       SER 107   6.037 -15.654 -15.654
  794   1HB   SER 107           HB2      SER 107   6.246 -16.711 -16.711
  795   2HB   SER 107           HB1      SER 107   4.866 -16.853 -16.853
  796    HG   SER 107           HG       SER 107   3.978 -15.904 -15.904
  797    H    THR 108           HN       THR 108   7.517 -14.011 -14.011
  798    HA   THR 108           HA       THR 108   9.895 -15.451 -15.451
  799    HB   THR 108           HB       THR 108  10.452 -12.705 -12.705
  800    HG1  THR 108           HG1      THR 108   8.160 -13.454 -13.454
  801   1HG2  THR 108          HG23      THR 108  10.263 -15.222 -15.222
  802   2HG2  THR 108          HG22      THR 108   9.926 -13.774 -13.774
  803   3HG2  THR 108          HG21      THR 108  11.460 -13.929 -13.929
  804    H    GLY 109           HN       GLY 109   8.776 -13.347 -13.347
  805   1HA   GLY 109           HA2      GLY 109   9.719 -12.789 -12.789
  806   2HA   GLY 109           HA1      GLY 109  11.101 -13.784 -13.784
  807    H    SER 110           HN       SER 110   9.671 -10.823 -10.823
  808    HA   SER 110           HA       SER 110  12.238  -9.468  -9.468
  809   1HB   SER 110           HB2      SER 110  10.711  -8.931  -8.931
  810   2HB   SER 110           HB1      SER 110  12.432  -8.730  -8.730
  811    HG   SER 110           HG       SER 110  11.023 -11.157 -11.157
  812    H    LEU 111           HN       LEU 111  11.697  -7.986  -7.986
  813    HA   LEU 111           HA       LEU 111   9.292  -6.869  -6.869
  814   1HB   LEU 111           HB2      LEU 111  12.072  -5.761  -5.761
  815   2HB   LEU 111           HB1      LEU 111  10.704  -4.774  -4.774
  816    HG   LEU 111           HG       LEU 111  10.975  -7.496  -7.496
  817   1HD1  LEU 111          HD12      LEU 111  12.746  -5.155  -5.155
  818   2HD1  LEU 111          HD11      LEU 111  12.286  -6.234  -6.234
  819   3HD1  LEU 111          HD13      LEU 111  13.145  -6.872  -6.872
  820   1HD2  LEU 111          HD22      LEU 111   9.102  -5.647  -5.647
  821   2HD2  LEU 111          HD21      LEU 111   9.611  -6.684  -6.684
  822   3HD2  LEU 111          HD23      LEU 111  10.243  -5.043  -5.043
  823    HA   PRO 112           HA       PRO 112   7.740  -4.195  -4.195
  824   1HB   PRO 112           HB1      PRO 112   7.856  -1.989  -1.989
  825   2HB   PRO 112           HB2      PRO 112   6.504  -2.528  -2.528
  826   1HG   PRO 112           HG1      PRO 112   6.598  -3.147  -3.147
  827   2HG   PRO 112           HG2      PRO 112   6.020  -4.325  -4.325
  828   1HD   PRO 112           HD1      PRO 112   8.636  -4.204  -4.204
  829   2HD   PRO 112           HD2      PRO 112   7.679  -5.617  -5.617
  830    H    ILE 113           HN       ILE 113  10.223  -2.651  -2.651
  831    HA   ILE 113           HA       ILE 113  11.048  -0.680  -0.680
  832    HB   ILE 113           HB       ILE 113  11.850  -0.605  -0.605
  833   1HG1  ILE 113          HG12      ILE 113  14.492  -1.201  -1.201
  834   2HG1  ILE 113          HG11      ILE 113  13.546  -0.400  -0.400
  835   1HG2  ILE 113          HG23      ILE 113  11.833  -2.989  -2.989
  836   2HG2  ILE 113          HG22      ILE 113  13.241  -3.220  -3.220
  837   3HG2  ILE 113          HG21      ILE 113  13.383  -2.277  -2.277
  838   1HD1  ILE 113          HD11      ILE 113  13.208   0.901   0.901
  839   2HD1  ILE 113          HD13      ILE 113  14.909   0.797   0.797
  840   3HD1  ILE 113          HD12      ILE 113  13.751   1.560   1.560
  841    H    HIS 114           HN       HIS 114  12.046  -4.059  -4.059
  842    HA   HIS 114           HA       HIS 114  14.193  -4.052  -4.052
  843   1HB   HIS 114           HB2      HIS 114  12.140  -6.229  -6.229
  844   2HB   HIS 114           HB1      HIS 114  13.688  -6.457  -6.457
  845    HD2  HIS 114           HD2      HIS 114  15.667  -5.003  -5.003
  846    HE1  HIS 114           HE1      HIS 114  13.883  -7.559  -7.559
  847    HE2  HIS 114           HE2      HIS 114  15.946  -6.203  -6.203
  848    H    LEU 115           HN       LEU 115  10.733  -4.412  -4.412
  849    HA   LEU 115           HA       LEU 115  10.976  -4.873  -4.873
  850   1HB   LEU 115           HB1      LEU 115   8.658  -3.432  -3.432
  851   2HB   LEU 115           HB2      LEU 115   8.652  -4.490  -4.490
  852    HG   LEU 115           HG       LEU 115   8.930  -5.276  -5.276
  853   1HD1  LEU 115          HD13      LEU 115   6.764  -5.154  -5.154
  854   2HD1  LEU 115          HD12      LEU 115   7.000  -6.799  -6.799
  855   3HD1  LEU 115          HD11      LEU 115   6.724  -5.483  -5.483
  856   1HD2  LEU 115          HD21      LEU 115  10.497  -6.518  -6.518
  857   2HD2  LEU 115          HD23      LEU 115   9.344  -7.509  -7.509
  858   3HD2  LEU 115          HD22      LEU 115   9.061  -7.145  -7.145
  859    H    ALA 116           HN       ALA 116  10.161  -1.868  -1.868
  860    HA   ALA 116           HA       ALA 116  10.101  -0.151  -0.151
  861   1HB   ALA 116           HB2      ALA 116   9.470   0.376   0.376
  862   2HB   ALA 116           HB1      ALA 116  11.188   0.608   0.608
  863   3HB   ALA 116           HB3      ALA 116  10.363   1.641   1.641
  864    H    ILE 117           HN       ILE 117  12.822  -1.490  -1.490
  865    HA   ILE 117           HA       ILE 117  14.828   0.226   0.226
  866    HB   ILE 117           HB       ILE 117  14.944  -2.596  -2.596
  867   1HG1  ILE 117          HG12      ILE 117  16.145  -0.137  -0.137
  868   2HG1  ILE 117          HG11      ILE 117  14.433  -0.494  -0.494
  869   1HG2  ILE 117          HG22      ILE 117  16.949  -1.123  -1.123
  870   2HG2  ILE 117          HG21      ILE 117  17.508  -1.553  -1.553
  871   3HG2  ILE 117          HG23      ILE 117  16.939  -2.810  -2.810
  872   1HD1  ILE 117          HD12      ILE 117  16.260  -2.719  -2.719
  873   2HD1  ILE 117          HD11      ILE 117  16.366  -1.337  -1.337
  874   3HD1  ILE 117          HD13      ILE 117  14.826  -2.167  -2.167
  875    H    ARG 118           HN       ARG 118  13.476  -2.834  -2.834
  876    HA   ARG 118           HA       ARG 118  15.271  -3.118  -3.118
  877   1HB   ARG 118           HB1      ARG 118  12.568  -4.330  -4.330
  878   2HB   ARG 118           HB2      ARG 118  14.144  -5.048  -5.048
  879   1HG   ARG 118           HG1      ARG 118  14.330  -4.691  -4.691
  880   2HG   ARG 118           HG2      ARG 118  12.581  -4.874  -4.874
  881   1HD   ARG 118           HD1      ARG 118  14.432  -6.805  -6.805
  882   2HD   ARG 118           HD2      ARG 118  14.052  -6.977  -6.977
  883    HE   ARG 118           HE       ARG 118  11.613  -6.782  -6.782
  884   1HH1  ARG 118          HH21      ARG 118  14.386  -8.733  -8.733
  885   2HH1  ARG 118          HH22      ARG 118  13.448 -10.046 -10.046
  886   1HH2  ARG 118          HH11      ARG 118  10.366  -8.502  -8.502
  887   2HH2  ARG 118          HH12      ARG 118  11.160  -9.914  -9.914
  888    H    GLU 119           HN       GLU 119  12.525  -1.180  -1.180
  889    HA   GLU 119           HA       GLU 119  11.876  -0.834  -0.834
  890   1HB   GLU 119           HB1      GLU 119  10.777   0.419   0.419
  891   2HB   GLU 119           HB2      GLU 119  10.221   0.838   0.838
  892   1HG   GLU 119           HG1      GLU 119  10.117  -1.960  -1.960
  893   2HG   GLU 119           HG2      GLU 119   9.452  -1.347  -1.347
  894    H    GLY 120           HN       GLY 120  12.913   1.303   1.303
  895   1HA   GLY 120           HA1      GLY 120  14.659   2.886   2.886
  896   2HA   GLY 120           HA2      GLY 120  14.580   2.772   2.772
  897    H    HIS 121           HN       HIS 121  11.717   3.200   3.200
  898    HA   HIS 121           HA       HIS 121  10.830   5.428   5.428
  899   1HB   HIS 121           HB2      HIS 121  10.015   4.077   4.077
  900   2HB   HIS 121           HB1      HIS 121   9.399   5.703   5.703
  901    HD2  HIS 121           HD2      HIS 121   8.454   2.178   2.178
  902    HE1  HIS 121           HE1      HIS 121   6.592   4.537   4.537
  903    HE2  HIS 121           HE2      HIS 121   6.820   2.204   2.204
  904    H    SER 122           HN       SER 122  13.181   5.183   5.183
  905    HA   SER 122           HA       SER 122  14.587   6.778   6.778
  906   1HB   SER 122           HB1      SER 122  13.233   8.191   8.191
  907   2HB   SER 122           HB2      SER 122  13.294   9.240   9.240
  908    HG   SER 122           HG       SER 122  15.274   8.542   8.542
  909    H    SER 123           HN       SER 123  11.522   8.569   8.569
  910    HA   SER 123           HA       SER 123  11.777   9.270   9.270
  911   1HB   SER 123           HB1      SER 123  10.145  10.033  10.033
  912   2HB   SER 123           HB2      SER 123   9.026   9.262   9.262
  913    HG   SER 123           HG       SER 123   9.691  10.684  10.684
  914    H    VAL 124           HN       VAL 124   9.748   6.832   6.832
  915    HA   VAL 124           HA       VAL 124   8.435   5.869   5.869
  916    HB   VAL 124           HB       VAL 124   9.168   4.503   4.503
  917   1HG1  VAL 124          HG13      VAL 124   7.503   3.439   3.439
  918   2HG1  VAL 124          HG12      VAL 124   7.524   2.752   2.752
  919   3HG1  VAL 124          HG11      VAL 124   8.992   2.750   2.750
  920   1HG2  VAL 124          HG22      VAL 124   7.511   6.405   6.405
  921   2HG2  VAL 124          HG21      VAL 124   6.916   4.887   4.887
  922   3HG2  VAL 124          HG23      VAL 124   6.467   5.363   5.363
  923    H    VAL 125           HN       VAL 125  11.241   4.388   4.388
  924    HA   VAL 125           HA       VAL 125  11.785   2.410   2.410
  925    HB   VAL 125           HB       VAL 125  14.058   3.862   3.862
  926   1HG1  VAL 125          HG13      VAL 125  14.345   1.820   1.820
  927   2HG1  VAL 125          HG12      VAL 125  13.500   0.913   0.913
  928   3HG1  VAL 125          HG11      VAL 125  15.030   1.709   1.709
  929   1HG2  VAL 125          HG21      VAL 125  11.916   2.281   2.281
  930   2HG2  VAL 125          HG23      VAL 125  12.542   3.879   3.879
  931   3HG2  VAL 125          HG22      VAL 125  13.541   2.450   2.450
  932    H    SER 126           HN       SER 126  12.834   5.785   5.785
  933    HA   SER 126           HA       SER 126  14.490   5.529   5.529
  934   1HB   SER 126           HB2      SER 126  15.115   7.367   7.367
  935   2HB   SER 126           HB1      SER 126  13.451   7.796   7.796
  936    HG   SER 126           HG       SER 126  14.612   9.170   9.170
  937    H    PHE 127           HN       PHE 127  11.122   5.991   5.991
  938    HA   PHE 127           HA       PHE 127  10.542   7.153   7.153
  939   1HB   PHE 127           HB2      PHE 127   9.069   7.331   7.331
  940   2HB   PHE 127           HB1      PHE 127   8.643   5.638   5.638
  941    HD1  PHE 127           HD1      PHE 127   9.164   8.122   8.122
  942    HD2  PHE 127           HD2      PHE 127   6.338   5.862   5.862
  943    HE1  PHE 127           HE1      PHE 127   7.384   8.791   8.791
  944    HE2  PHE 127           HE2      PHE 127   4.552   6.528   6.528
  945    HZ   PHE 127           HZ       PHE 127   5.073   7.985   7.985
  946    H    LEU 128           HN       LEU 128  10.253   3.869   3.869
  947    HA   LEU 128           HA       LEU 128   9.306   2.719   2.719
  948   1HB   LEU 128           HB1      LEU 128  10.028   1.816   1.816
  949   2HB   LEU 128           HB2      LEU 128  10.509   0.670   0.670
  950    HG   LEU 128           HG       LEU 128   8.217   0.332   0.332
  951   1HD1  LEU 128          HD11      LEU 128   8.473   0.623   0.623
  952   2HD1  LEU 128          HD13      LEU 128   7.178  -0.248  -0.248
  953   3HD1  LEU 128          HD12      LEU 128   8.844  -0.808  -0.808
  954   1HD2  LEU 128          HD21      LEU 128   7.729   2.847   2.847
  955   2HD2  LEU 128          HD23      LEU 128   6.432   1.715   1.715
  956   3HD2  LEU 128          HD22      LEU 128   7.328   2.502   2.502
  957    H    ALA 129           HN       ALA 129  12.288   3.965   3.965
  958    HA   ALA 129           HA       ALA 129  14.149   2.148   2.148
  959   1HB   ALA 129           HB2      ALA 129  14.023   5.098   5.098
  960   2HB   ALA 129           HB1      ALA 129  15.258   4.414   4.414
  961   3HB   ALA 129           HB3      ALA 129  15.212   3.971   3.971
  962    HA   PRO 130           HA       PRO 130  13.698   3.623   3.623
  963   1HB   PRO 130           HB2      PRO 130  12.136   5.731   5.731
  964   2HB   PRO 130           HB1      PRO 130  13.793   5.929   5.929
  965   1HG   PRO 130           HG2      PRO 130  11.213   6.152   6.152
  966   2HG   PRO 130           HG1      PRO 130  12.641   7.203   7.203
  967   1HD   PRO 130           HD2      PRO 130  12.123   5.276   5.276
  968   2HD   PRO 130           HD1      PRO 130  13.765   5.795   5.795
  969    H    GLU 131           HN       GLU 131  10.612   4.270   4.270
  970    HA   GLU 131           HA       GLU 131   8.841   3.484   3.484
  971   1HB   GLU 131           HB1      GLU 131   8.603   2.996   2.996
  972   2HB   GLU 131           HB2      GLU 131   7.272   2.961   2.961
  973   1HG   GLU 131           HG2      GLU 131   7.009   5.151   5.151
  974   2HG   GLU 131           HG1      GLU 131   8.713   5.433   5.433
  975    H    SER 132           HN       SER 132  10.796   1.505   1.505
  976    HA   SER 132           HA       SER 132   9.615  -0.924  -0.924
  977   1HB   SER 132           HB2      SER 132  10.226  -0.307  -0.307
  978   2HB   SER 132           HB1      SER 132  11.577  -1.324  -1.324
  979    HG   SER 132           HG       SER 132   8.889  -2.049  -2.049
  980    H    ASP 133           HN       ASP 133  10.903  -2.490  -2.490
  981    HA   ASP 133           HA       ASP 133  12.819  -1.853  -1.853
  982   1HB   ASP 133           HB1      ASP 133  12.563  -4.370  -4.370
  983   2HB   ASP 133           HB2      ASP 133  13.777  -4.209  -4.209
  984    H    LEU 134           HN       LEU 134  14.732  -0.892  -0.892
  985    HA   LEU 134           HA       LEU 134  16.154  -0.695  -0.695
  986   1HB   LEU 134           HB1      LEU 134  16.165   0.712   0.712
  987   2HB   LEU 134           HB2      LEU 134  17.705   0.631   0.631
  988    HG   LEU 134           HG       LEU 134  15.166   1.954   1.954
  989   1HD1  LEU 134          HD11      LEU 134  17.505   2.845   2.845
  990   2HD1  LEU 134          HD13      LEU 134  17.621   3.382   3.382
  991   3HD1  LEU 134          HD12      LEU 134  16.220   3.828   3.828
  992   1HD2  LEU 134          HD21      LEU 134  17.493   1.044   1.044
  993   2HD2  LEU 134          HD23      LEU 134  15.768   0.835   0.835
  994   3HD2  LEU 134          HD22      LEU 134  16.506   2.428   2.428
  995    H    HIS 135           HN       HIS 135  16.005  -3.203  -3.203
  996    HA   HIS 135           HA       HIS 135  18.888  -3.748  -3.748
  997   1HB   HIS 135           HB1      HIS 135  17.378  -5.134  -5.134
  998   2HB   HIS 135           HB2      HIS 135  19.003  -4.459  -4.459
  999    HD2  HIS 135           HD2      HIS 135  15.673  -3.790  -3.790
 1000    HE1  HIS 135           HE1      HIS 135  17.708  -0.080  -0.080
 1001    HE2  HIS 135           HE2      HIS 135  15.626  -1.309  -1.309
 1002    H    HIS 136           HN       HIS 136  15.620  -5.112  -5.112
 1003    HA   HIS 136           HA       HIS 136  16.222  -7.760  -7.760
 1004   1HB   HIS 136           HB1      HIS 136  13.937  -6.438  -6.438
 1005   2HB   HIS 136           HB2      HIS 136  13.765  -6.636  -6.636
 1006    HD2  HIS 136           HD2      HIS 136  12.123  -8.717  -8.717
 1007    HE1  HIS 136           HE1      HIS 136  13.876 -11.259 -11.259
 1008    HE2  HIS 136           HE2      HIS 136  11.986 -10.999 -10.999
 1009    H    ARG 137           HN       ARG 137  15.967  -8.959  -8.959
 1010    HA   ARG 137           HA       ARG 137  16.371  -7.409  -7.409
 1011   1HB   ARG 137           HB2      ARG 137  18.092  -9.348  -9.348
 1012   2HB   ARG 137           HB1      ARG 137  18.591  -7.889  -7.889
 1013   1HG   ARG 137           HG1      ARG 137  18.840  -8.964  -8.964
 1014   2HG   ARG 137           HG2      ARG 137  17.661 -10.214 -10.214
 1015   1HD   ARG 137           HD1      ARG 137  19.839 -10.350 -10.350
 1016   2HD   ARG 137           HD2      ARG 137  20.474 -10.337 -10.337
 1017    HE   ARG 137           HE       ARG 137  19.161 -12.488 -12.488
 1018   1HH1  ARG 137          HH11      ARG 137  19.383 -10.864 -10.864
 1019   2HH1  ARG 137          HH12      ARG 137  18.984 -12.275 -12.275
 1020   1HH2  ARG 137          HH21      ARG 137  18.634 -14.353 -14.353
 1021   2HH2  ARG 137          HH22      ARG 137  18.559 -14.259 -14.259
 1022    H    ASP 138           HN       ASP 138  16.233  -8.845  -8.845
 1023    HA   ASP 138           HA       ASP 138  13.881 -10.496 -10.496
 1024   1HB   ASP 138           HB2      ASP 138  14.137  -8.956  -8.956
 1025   2HB   ASP 138           HB1      ASP 138  13.982 -10.624 -10.624
 1026    H    ALA 139           HN       ALA 139  13.725 -12.685 -12.685
 1027    HA   ALA 139           HA       ALA 139  15.594 -14.428 -14.428
 1028   1HB   ALA 139           HB1      ALA 139  13.374 -14.705 -14.705
 1029   2HB   ALA 139           HB3      ALA 139  14.513 -16.043 -16.043
 1030   3HB   ALA 139           HB2      ALA 139  13.612 -15.490 -15.490
 1031    H    SER 140           HN       SER 140  15.662 -12.693 -12.693
 1032    HA   SER 140           HA       SER 140  17.402 -14.332 -14.332
 1033   1HB   SER 140           HB2      SER 140  16.039 -11.931 -11.931
 1034   2HB   SER 140           HB1      SER 140  17.744 -11.502 -11.502
 1035    HG   SER 140           HG       SER 140  16.176 -13.147 -13.147
 1036    H    GLY 141           HN       GLY 141  17.973 -11.610 -11.610
 1037   1HA   GLY 141           HA2      GLY 141  19.894 -11.662 -11.662
 1038   2HA   GLY 141           HA1      GLY 141  20.782 -12.486 -12.486
 1039    H    LEU 142           HN       LEU 142  18.849  -9.488  -9.488
 1040    HA   LEU 142           HA       LEU 142  21.210  -7.922  -7.922
 1041   1HB   LEU 142           HB1      LEU 142  18.785  -7.906  -7.906
 1042   2HB   LEU 142           HB2      LEU 142  20.184  -6.861  -6.861
 1043    HG   LEU 142           HG       LEU 142  20.557  -9.827  -9.827
 1044   1HD1  LEU 142          HD13      LEU 142  18.667  -9.122  -9.122
 1045   2HD1  LEU 142          HD12      LEU 142  19.876  -8.193  -8.193
 1046   3HD1  LEU 142          HD11      LEU 142  20.035  -9.944  -9.944
 1047   1HD2  LEU 142          HD22      LEU 142  22.163  -7.511  -7.511
 1048   2HD2  LEU 142          HD21      LEU 142  22.633  -9.207  -9.207
 1049   3HD2  LEU 142          HD23      LEU 142  22.063  -8.347  -8.347
 1050    H    THR 143           HN       THR 143  21.088  -6.559  -6.559
 1051    HA   THR 143           HA       THR 143  18.622  -5.595  -5.595
 1052    HB   THR 143           HB       THR 143  20.702  -3.906  -3.906
 1053    HG1  THR 143           HG1      THR 143  22.152  -5.709  -5.709
 1054   1HG2  THR 143          HG23      THR 143  19.265  -6.234  -6.234
 1055   2HG2  THR 143          HG22      THR 143  20.670  -5.577  -5.577
 1056   3HG2  THR 143          HG21      THR 143  19.278  -4.545  -4.545
 1057    HA   PRO 144           HA       PRO 144  17.695  -1.710  -1.710
 1058   1HB   PRO 144           HB1      PRO 144  19.187  -0.243  -0.243
 1059   2HB   PRO 144           HB2      PRO 144  17.567   0.050   0.050
 1060   1HG   PRO 144           HG2      PRO 144  17.893  -1.160  -1.160
 1061   2HG   PRO 144           HG1      PRO 144  16.627  -1.685  -1.685
 1062   1HD   PRO 144           HD2      PRO 144  19.220  -2.979  -2.979
 1063   2HD   PRO 144           HD1      PRO 144  17.676  -3.718  -3.718
 1064    H    LEU 145           HN       LEU 145  20.899  -1.206  -1.206
 1065    HA   LEU 145           HA       LEU 145  21.903   0.375   0.375
 1066   1HB   LEU 145           HB2      LEU 145  22.865  -0.731  -0.731
 1067   2HB   LEU 145           HB1      LEU 145  24.088  -0.877  -0.877
 1068    HG   LEU 145           HG       LEU 145  22.710   1.743   1.743
 1069   1HD1  LEU 145          HD13      LEU 145  23.591   0.867   0.867
 1070   2HD1  LEU 145          HD12      LEU 145  25.196   0.859   0.859
 1071   3HD1  LEU 145          HD11      LEU 145  24.321   2.379   2.379
 1072   1HD2  LEU 145          HD21      LEU 145  25.435   0.974   0.974
 1073   2HD2  LEU 145          HD23      LEU 145  24.063   1.513   1.513
 1074   3HD2  LEU 145          HD22      LEU 145  24.830   2.622   2.622
 1075    H    GLU 146           HN       GLU 146  21.756  -3.065  -3.065
 1076    HA   GLU 146           HA       GLU 146  23.712  -3.753  -3.753
 1077   1HB   GLU 146           HB1      GLU 146  21.628  -5.244  -5.244
 1078   2HB   GLU 146           HB2      GLU 146  22.372  -6.018  -6.018
 1079   1HG   GLU 146           HG2      GLU 146  23.589  -6.714  -6.714
 1080   2HG   GLU 146           HG1      GLU 146  24.599  -5.536  -5.536
 1081    H    LEU 147           HN       LEU 147  20.175  -4.289  -4.289
 1082    HA   LEU 147           HA       LEU 147  19.948  -4.892  -4.892
 1083   1HB   LEU 147           HB2      LEU 147  18.192  -4.425  -4.425
 1084   2HB   LEU 147           HB1      LEU 147  17.700  -3.302  -3.302
 1085    HG   LEU 147           HG       LEU 147  17.631  -6.286  -6.286
 1086   1HD1  LEU 147          HD12      LEU 147  15.779  -4.075  -4.075
 1087   2HD1  LEU 147          HD11      LEU 147  15.548  -5.197  -5.197
 1088   3HD1  LEU 147          HD13      LEU 147  15.475  -5.782  -5.782
 1089   1HD2  LEU 147          HD21      LEU 147  18.063  -4.532  -4.532
 1090   2HD2  LEU 147          HD23      LEU 147  18.885  -6.029  -6.029
 1091   3HD2  LEU 147          HD22      LEU 147  17.215  -6.074  -6.074
 1092    H    ALA 148           HN       ALA 148  20.000  -1.753  -1.753
 1093    HA   ALA 148           HA       ALA 148  19.344  -0.164  -0.164
 1094   1HB   ALA 148           HB2      ALA 148  19.606   0.450   0.450
 1095   2HB   ALA 148           HB1      ALA 148  21.281   0.777   0.777
 1096   3HB   ALA 148           HB3      ALA 148  19.974   1.656   1.656
 1097    H    ARG 149           HN       ARG 149  22.387  -1.533  -1.533
 1098    HA   ARG 149           HA       ARG 149  24.100  -0.153  -0.153
 1099   1HB   ARG 149           HB2      ARG 149  24.668  -1.650  -1.650
 1100   2HB   ARG 149           HB1      ARG 149  24.612  -2.976  -2.976
 1101   1HG   ARG 149           HG1      ARG 149  26.233  -0.727  -0.727
 1102   2HG   ARG 149           HG2      ARG 149  26.811  -1.463  -1.463
 1103   1HD   ARG 149           HD2      ARG 149  26.017  -3.384  -3.384
 1104   2HD   ARG 149           HD1      ARG 149  27.380  -2.360  -2.360
 1105    HE   ARG 149           HE       ARG 149  27.472  -4.539  -4.539
 1106   1HH1  ARG 149          HH11      ARG 149  28.576  -1.243  -1.243
 1107   2HH1  ARG 149          HH12      ARG 149  29.972  -1.515  -1.515
 1108   1HH2  ARG 149          HH21      ARG 149  29.306  -4.910  -4.910
 1109   2HH2  ARG 149          HH22      ARG 149  30.389  -3.601  -3.601
 1110    H    GLN 150           HN       GLN 150  22.176  -3.066  -3.066
 1111    HA   GLN 150           HA       GLN 150  23.205  -3.965  -3.965
 1112   1HB   GLN 150           HB2      GLN 150  21.969  -5.556  -5.556
 1113   2HB   GLN 150           HB1      GLN 150  20.649  -4.436  -4.436
 1114   1HG   GLN 150           HG1      GLN 150  19.747  -5.867  -5.867
 1115   2HG   GLN 150           HG2      GLN 150  20.296  -4.522  -4.522
 1116   1HE2  GLN 150          HE22      GLN 150  22.376  -8.049  -8.049
 1117   2HE2  GLN 150          HE21      GLN 150  21.547  -7.565  -7.565
 1118    H    ARG 151           HN       ARG 151  19.866  -2.862  -2.862
 1119    HA   ARG 151           HA       ARG 151  19.832  -1.745  -1.745
 1120   1HB   ARG 151           HB2      ARG 151  17.725  -1.237  -1.237
 1121   2HB   ARG 151           HB1      ARG 151  17.538  -1.407  -1.407
 1122   1HG   ARG 151           HG1      ARG 151  18.599  -3.814  -3.814
 1123   2HG   ARG 151           HG2      ARG 151  17.062  -3.340  -3.340
 1124   1HD   ARG 151           HD2      ARG 151  16.092  -4.342  -4.342
 1125   2HD   ARG 151           HD1      ARG 151  16.638  -2.963  -2.963
 1126    HE   ARG 151           HE       ARG 151  18.768  -4.626  -4.626
 1127   1HH1  ARG 151          HH21      ARG 151  15.385  -5.050  -5.050
 1128   2HH1  ARG 151          HH22      ARG 151  15.656  -6.282  -6.282
 1129   1HH2  ARG 151          HH11      ARG 151  19.137  -6.250  -6.250
 1130   2HH2  ARG 151          HH12      ARG 151  17.789  -6.966  -6.966
 1131    H    GLY 152           HN       GLY 152  21.836  -0.453  -0.453
 1132   1HA   GLY 152           HA2      GLY 152  21.263   1.841   1.841
 1133   2HA   GLY 152           HA1      GLY 152  22.725   1.558   1.558
 1134    H    ALA 153           HN       ALA 153  19.331   1.979   1.979
 1135    HA   ALA 153           HA       ALA 153  19.475   3.162   3.162
 1136   1HB   ALA 153           HB2      ALA 153  17.570   3.132   3.132
 1137   2HB   ALA 153           HB1      ALA 153  17.687   4.797   4.797
 1138   3HB   ALA 153           HB3      ALA 153  17.309   3.501   3.501
 1139    H    GLN 154           HN       GLN 154  20.382   4.607   4.607
 1140    HA   GLN 154           HA       GLN 154  22.161   6.445   6.445
 1141   1HB   GLN 154           HB2      GLN 154  20.822   8.560   8.560
 1142   2HB   GLN 154           HB1      GLN 154  20.443   7.762   7.762
 1143   1HG   GLN 154           HG2      GLN 154  18.480   8.524   8.524
 1144   2HG   GLN 154           HG1      GLN 154  18.455   6.845   6.845
 1145   1HE2  GLN 154          HE22      GLN 154  18.521   5.474   5.474
 1146   2HE2  GLN 154          HE21      GLN 154  18.644   5.206   5.206
 1147    H    ASN 155           HN       ASN 155  20.739   8.269   8.269
 1148    HA   ASN 155           HA       ASN 155  22.631   7.400   7.400
 1149   1HB   ASN 155           HB1      ASN 155  20.393   9.414   9.414
 1150   2HB   ASN 155           HB2      ASN 155  21.758   9.225   9.225
 1151   1HD2  ASN 155          HD22      ASN 155  22.875  11.989  11.989
 1152   2HD2  ASN 155          HD21      ASN 155  21.917  11.560  11.560
 1153    H    LEU 156           HN       LEU 156  20.531   5.408   5.408
 1154    HA   LEU 156           HA       LEU 156  18.519   5.182   5.182
 1155   1HB   LEU 156           HB1      LEU 156  19.807   3.482   3.482
 1156   2HB   LEU 156           HB2      LEU 156  19.483   2.576   2.576
 1157    HG   LEU 156           HG       LEU 156  17.526   3.925   3.925
 1158   1HD1  LEU 156          HD12      LEU 156  18.413   1.266   1.266
 1159   2HD1  LEU 156          HD11      LEU 156  16.732   1.370   1.370
 1160   3HD1  LEU 156          HD13      LEU 156  17.177   1.851   1.851
 1161   1HD2  LEU 156          HD23      LEU 156  17.175   3.183   3.183
 1162   2HD2  LEU 156          HD22      LEU 156  16.721   4.674   4.674
 1163   3HD2  LEU 156          HD21      LEU 156  15.815   3.188   3.188
 1164    H    MET 157           HN       MET 157  21.473   3.209   3.209
 1165    HA   MET 157           HA       MET 157  21.228   2.448   2.448
 1166   1HB   MET 157           HB2      MET 157  23.302   1.494   1.494
 1167   2HB   MET 157           HB1      MET 157  22.876   1.726   1.726
 1168   1HG   MET 157           HG1      MET 157  24.167   3.800   3.800
 1169   2HG   MET 157           HG2      MET 157  24.622   3.543   3.543
 1170   1HE   MET 157           HE1      MET 157  24.825   0.295   0.295
 1171   2HE   MET 157           HE3      MET 157  26.556   0.068   0.068
 1172   3HE   MET 157           HE2      MET 157  25.982   1.245   1.245
 1173    H    ASP 158           HN       ASP 158  22.161   5.460   5.460
 1174    HA   ASP 158           HA       ASP 158  23.635   6.420   6.420
 1175   1HB   ASP 158           HB2      ASP 158  22.783   8.682   8.682
 1176   2HB   ASP 158           HB1      ASP 158  22.703   7.492   7.492
 1177    H    ILE 159           HN       ILE 159  20.367   7.144   7.144
 1178    HA   ILE 159           HA       ILE 159  19.532   8.824   8.824
 1179    HB   ILE 159           HB       ILE 159  17.725   6.785   6.785
 1180   1HG1  ILE 159          HG12      ILE 159  17.824   9.346   9.346
 1181   2HG1  ILE 159          HG11      ILE 159  19.397   8.558   8.558
 1182   1HG2  ILE 159          HG21      ILE 159  17.408   9.326   9.326
 1183   2HG2  ILE 159          HG23      ILE 159  16.345   9.073   9.073
 1184   3HG2  ILE 159          HG22      ILE 159  16.358   7.910   7.910
 1185   1HD1  ILE 159          HD13      ILE 159  17.814   6.492   6.492
 1186   2HD1  ILE 159          HD12      ILE 159  16.894   7.840   7.840
 1187   3HD1  ILE 159          HD11      ILE 159  18.569   7.587   7.587
 1188    H    LEU 160           HN       LEU 160  19.622   5.306   5.306
 1189    HA   LEU 160           HA       LEU 160  18.191   4.968   4.968
 1190   1HB   LEU 160           HB1      LEU 160  19.981   2.787   2.787
 1191   2HB   LEU 160           HB2      LEU 160  18.255   2.775   2.775
 1192    HG   LEU 160           HG       LEU 160  19.658   3.464   3.464
 1193   1HD1  LEU 160          HD11      LEU 160  17.624   1.361   1.361
 1194   2HD1  LEU 160          HD13      LEU 160  18.280   1.643   1.643
 1195   3HD1  LEU 160          HD12      LEU 160  19.339   1.093   1.093
 1196   1HD2  LEU 160          HD23      LEU 160  17.065   4.348   4.348
 1197   2HD2  LEU 160          HD22      LEU 160  18.039   4.947   4.947
 1198   3HD2  LEU 160          HD21      LEU 160  16.996   3.540   3.540
 1199    H    GLN 161           HN       GLN 161  21.509   5.477   5.477
 1200    HA   GLN 161           HA       GLN 161  22.854   4.473   4.473
 1201   1HB   GLN 161           HB1      GLN 161  23.593   5.875   5.875
 1202   2HB   GLN 161           HB2      GLN 161  23.746   7.127   7.127
 1203   1HG   GLN 161           HG1      GLN 161  24.959   4.477   4.477
 1204   2HG   GLN 161           HG2      GLN 161  25.745   5.526   5.526
 1205   1HE2  GLN 161          HE22      GLN 161  26.490   6.073   6.073
 1206   2HE2  GLN 161          HE21      GLN 161  25.893   4.628   4.628
 1207    H    GLY 162           HN       GLY 162  21.554   7.772   7.772
 1208   1HA   GLY 162           HA2      GLY 162  22.178   8.645   8.645
 1209   2HA   GLY 162           HA1      GLY 162  20.966   9.359   9.359
 1210    H    HIS 163           HN       HIS 163  19.354   6.981   6.981
 1211    HA   HIS 163           HA       HIS 163  17.728   7.326   7.326
 1212   1HB   HIS 163           HB1      HIS 163  17.645   5.520   5.520
 1213   2HB   HIS 163           HB2      HIS 163  16.558   5.225   5.225
 1214    HD2  HIS 163           HD2      HIS 163  16.439   6.986   6.986
 1215    HE1  HIS 163           HE1      HIS 163  13.961   9.256   9.256
 1216    HE2  HIS 163           HE2      HIS 163  14.750   8.946   8.946
 1217    H    MET 164           HN       MET 164  20.023   4.856   4.856
 1218    HA   MET 164           HA       MET 164  19.439   2.929   2.929
 1219   1HB   MET 164           HB1      MET 164  21.354   3.285   3.285
 1220   2HB   MET 164           HB2      MET 164  22.249   2.950   2.950
 1221   1HG   MET 164           HG2      MET 164  19.929   1.213   1.213
 1222   2HG   MET 164           HG1      MET 164  21.279   1.056   1.056
 1223   1HE   MET 164           HE2      MET 164  22.046  -1.218  -1.218
 1224   2HE   MET 164           HE1      MET 164  23.502  -0.235  -0.235
 1225   3HE   MET 164           HE3      MET 164  23.206  -1.555  -1.555
 1226    H    MET 165           HN       MET 165  21.516   2.323   2.323
 1227    HA   MET 165           HA       MET 165  22.477   4.667   4.667
 1228   1HB   MET 165           HB2      MET 165  21.553   4.034   4.034
 1229   2HB   MET 165           HB1      MET 165  20.246   4.228   4.228
 1230   1HG   MET 165           HG1      MET 165  19.662   2.305   2.305
 1231   2HG   MET 165           HG2      MET 165  20.441   1.685   1.685
 1232   1HE   MET 165           HE1      MET 165  20.693   2.372   2.372
 1233   2HE   MET 165           HE3      MET 165  22.266   1.718   1.718
 1234   3HE   MET 165           HE2      MET 165  22.169   3.210   3.210
 1235    H    ILE 166           HN       ILE 166  24.156   4.204   4.204
 1236    HA   ILE 166           HA       ILE 166  25.359   1.538   1.538
 1237    HB   ILE 166           HB       ILE 166  27.472   3.090   3.090
 1238   1HG1  ILE 166          HG11      ILE 166  25.840   5.077   5.077
 1239   2HG1  ILE 166          HG12      ILE 166  27.430   5.196   5.196
 1240   1HG2  ILE 166          HG21      ILE 166  26.408   2.096   2.096
 1241   2HG2  ILE 166          HG23      ILE 166  27.784   3.199   3.199
 1242   3HG2  ILE 166          HG22      ILE 166  27.897   1.682   1.682
 1243   1HD1  ILE 166          HD11      ILE 166  24.917   4.383   4.383
 1244   2HD1  ILE 166          HD13      ILE 166  25.619   6.000   6.000
 1245   3HD1  ILE 166          HD12      ILE 166  26.506   4.649   4.649
 1246    HA   PRO 167           HA       PRO 167  24.726   1.081   1.081
 1247   1HB   PRO 167           HB1      PRO 167  26.863  -0.954  -0.954
 1248   2HB   PRO 167           HB2      PRO 167  25.255  -1.119  -1.119
 1249   1HG   PRO 167           HG2      PRO 167  25.787  -2.117  -2.117
 1250   2HG   PRO 167           HG1      PRO 167  24.220  -1.366  -1.366
 1251   1HD   PRO 167           HD1      PRO 167  26.546  -0.272  -0.272
 1252   2HD   PRO 167           HD2      PRO 167  24.807  -0.081  -0.081
 1253    H    MET 168           HN       MET 168  27.636   1.910   1.910
 1254    HA   MET 168           HA       MET 168  29.026   2.413   2.413
 1255   1HB   MET 168           HB2      MET 168  30.089   2.585   2.585
 1256   2HB   MET 168           HB1      MET 168  31.034   2.726   2.726
 1257   1HG   MET 168           HG2      MET 168  29.544   0.276   0.276
 1258   2HG   MET 168           HG1      MET 168  30.483   0.414   0.414
 1259   1HE   MET 168           HE2      MET 168  32.178  -0.855  -0.855
 1260   2HE   MET 168           HE1      MET 168  33.597  -1.013  -1.013
 1261   3HE   MET 168           HE3      MET 168  32.158  -1.981  -1.981

  Start of MODEL   17
    1   1H    GLY   1           HT3      GLY   1 -39.337 -14.041 -14.041
    2   2H    GLY   1           HT2      GLY   1 -40.657 -15.071 -15.071
    3   3H    GLY   1           HT1      GLY   1 -40.863 -13.396 -13.396
    4   1HA   GLY   1           HA1      GLY   1 -40.786 -13.935 -13.935
    5   2HA   GLY   1           HA2      GLY   1 -39.661 -15.256 -15.256
    6    H    SER   2           HN       SER   2 -37.546 -14.267 -14.267
    7    HA   SER   2           HA       SER   2 -36.684 -11.713 -11.713
    8   1HB   SER   2           HB1      SER   2 -34.910 -12.679 -12.679
    9   2HB   SER   2           HB2      SER   2 -36.556 -12.446 -12.446
   10    HG   SER   2           HG       SER   2 -35.296 -14.605 -14.605
   11    H    MET   3           HN       MET   3 -34.576 -11.213 -11.213
   12    HA   MET   3           HA       MET   3 -32.964 -13.263 -13.263
   13   1HB   MET   3           HB2      MET   3 -34.655 -12.708 -12.708
   14   2HB   MET   3           HB1      MET   3 -34.115 -11.036 -11.036
   15   1HG   MET   3           HG2      MET   3 -32.651 -11.537 -11.537
   16   2HG   MET   3           HG1      MET   3 -31.802 -12.538 -12.538
   17   1HE   MET   3           HE3      MET   3 -31.779 -14.995 -14.995
   18   2HE   MET   3           HE2      MET   3 -33.494 -15.106 -15.106
   19   3HE   MET   3           HE1      MET   3 -32.822 -16.104 -16.104
   20    H    LEU   4           HN       LEU   4 -30.854 -12.740 -12.740
   21    HA   LEU   4           HA       LEU   4 -29.795 -10.154 -10.154
   22   1HB   LEU   4           HB2      LEU   4 -30.761 -10.810 -10.810
   23   2HB   LEU   4           HB1      LEU   4 -29.020 -10.607 -10.607
   24    HG   LEU   4           HG       LEU   4 -30.181  -8.461  -8.461
   25   1HD1  LEU   4          HD12      LEU   4 -32.053  -9.306  -9.306
   26   2HD1  LEU   4          HD11      LEU   4 -31.130  -8.222  -8.222
   27   3HD1  LEU   4          HD13      LEU   4 -31.834  -7.616  -7.616
   28   1HD2  LEU   4          HD23      LEU   4 -28.291  -8.928  -8.928
   29   2HD2  LEU   4          HD22      LEU   4 -28.296  -7.687  -7.687
   30   3HD2  LEU   4          HD21      LEU   4 -29.221  -7.447  -7.447
   31    H    LEU   5           HN       LEU   5 -28.535 -11.516 -11.516
   32    HA   LEU   5           HA       LEU   5 -26.174 -12.541 -12.541
   33   1HB   LEU   5           HB1      LEU   5 -27.940 -14.412 -14.412
   34   2HB   LEU   5           HB2      LEU   5 -27.491 -14.317 -14.317
   35    HG   LEU   5           HG       LEU   5 -25.188 -14.901 -14.901
   36   1HD1  LEU   5          HD22      LEU   5 -26.142 -14.411 -14.411
   37   2HD1  LEU   5          HD21      LEU   5 -25.085 -15.808 -15.808
   38   3HD1  LEU   5          HD23      LEU   5 -24.537 -14.208 -14.208
   39   1HD2  LEU   5          HD11      LEU   5 -27.241 -16.600 -16.600
   40   2HD2  LEU   5          HD13      LEU   5 -25.581 -17.128 -17.128
   41   3HD2  LEU   5          HD12      LEU   5 -26.689 -16.947 -16.947
   42    H    GLU   6           HN       GLU   6 -27.042 -10.376 -10.376
   43    HA   GLU   6           HA       GLU   6 -25.142 -10.998 -10.998
   44   1HB   GLU   6           HB2      GLU   6 -27.450 -10.763 -10.763
   45   2HB   GLU   6           HB1      GLU   6 -27.544  -9.162  -9.162
   46   1HG   GLU   6           HG1      GLU   6 -26.637  -8.239  -8.239
   47   2HG   GLU   6           HG2      GLU   6 -25.253  -9.330  -9.330
   48    H    GLU   7           HN       GLU   7 -23.299 -10.120 -10.120
   49    HA   GLU   7           HA       GLU   7 -23.374  -7.233  -7.233
   50   1HB   GLU   7           HB2      GLU   7 -22.692  -9.219  -9.219
   51   2HB   GLU   7           HB1      GLU   7 -21.127  -8.704  -8.704
   52   1HG   GLU   7           HG2      GLU   7 -22.450  -6.331  -6.331
   53   2HG   GLU   7           HG1      GLU   7 -22.926  -7.382  -7.382
   54    H    VAL   8           HN       VAL   8 -23.059  -7.813  -7.813
   55    HA   VAL   8           HA       VAL   8 -20.189  -7.376  -7.376
   56    HB   VAL   8           HB       VAL   8 -20.889  -9.721  -9.721
   57   1HG1  VAL   8          HG11      VAL   8 -23.143  -9.004  -9.004
   58   2HG1  VAL   8          HG13      VAL   8 -22.318  -8.393  -8.393
   59   3HG1  VAL   8          HG12      VAL   8 -22.254 -10.111 -10.111
   60   1HG2  VAL   8          HG22      VAL   8 -19.561  -7.761  -7.761
   61   2HG2  VAL   8          HG21      VAL   8 -18.950  -9.262  -9.262
   62   3HG2  VAL   8          HG23      VAL   8 -19.988  -9.310  -9.310
   63    H    CYS   9           HN       CYS   9 -23.500  -6.954  -6.954
   64    HA   CYS   9           HA       CYS   9 -23.298  -5.575  -5.575
   65   1HB   CYS   9           HB2      CYS   9 -25.224  -4.134  -4.134
   66   2HB   CYS   9           HB1      CYS   9 -25.463  -5.877  -5.877
   67    HG   CYS   9           HG       CYS   9 -25.458  -4.015  -4.015
   68    H    VAL  10           HN       VAL  10 -22.319  -4.411  -4.411
   69    HA   VAL  10           HA       VAL  10 -21.819  -1.728  -1.728
   70    HB   VAL  10           HB       VAL  10 -20.629  -1.753  -1.753
   71   1HG1  VAL  10          HG11      VAL  10 -22.530  -0.346  -0.346
   72   2HG1  VAL  10          HG13      VAL  10 -23.576  -1.355  -1.355
   73   3HG1  VAL  10          HG12      VAL  10 -22.330  -0.359  -0.359
   74   1HG2  VAL  10          HG22      VAL  10 -21.442  -4.154  -4.154
   75   2HG2  VAL  10          HG21      VAL  10 -21.823  -3.044  -3.044
   76   3HG2  VAL  10          HG23      VAL  10 -23.063  -3.470  -3.470
   77    H    GLY  11           HN       GLY  11 -19.885  -4.384  -4.384
   78   1HA   GLY  11           HA1      GLY  11 -17.379  -3.255  -3.255
   79   2HA   GLY  11           HA2      GLY  11 -17.695  -4.980  -4.980
   80    H    ASP  12           HN       ASP  12 -19.488  -4.275  -4.275
   81    HA   ASP  12           HA       ASP  12 -17.338  -4.409  -4.409
   82   1HB   ASP  12           HB2      ASP  12 -18.921  -5.308  -5.308
   83   2HB   ASP  12           HB1      ASP  12 -19.324  -6.021  -6.021
   84    H    ARG  13           HN       ARG  13 -19.299  -2.085  -2.085
   85    HA   ARG  13           HA       ARG  13 -19.396  -0.415  -0.415
   86   1HB   ARG  13           HB1      ARG  13 -21.476  -0.366  -0.366
   87   2HB   ARG  13           HB2      ARG  13 -20.758  -0.308  -0.308
   88   1HG   ARG  13           HG1      ARG  13 -20.557   1.931   1.931
   89   2HG   ARG  13           HG2      ARG  13 -20.150   1.984   1.984
   90   1HD   ARG  13           HD2      ARG  13 -22.364   3.023   3.023
   91   2HD   ARG  13           HD1      ARG  13 -22.407   1.862   1.862
   92    HE   ARG  13           HE       ARG  13 -22.895   0.468   0.468
   93   1HH1  ARG  13          HH21      ARG  13 -24.394   2.938   2.938
   94   2HH1  ARG  13          HH22      ARG  13 -26.005   2.512   2.512
   95   1HH2  ARG  13          HH11      ARG  13 -25.013  -0.098  -0.098
   96   2HH2  ARG  13          HH12      ARG  13 -26.356   0.787   0.787
   97    H    LEU  14           HN       LEU  14 -18.370  -0.205  -0.205
   98    HA   LEU  14           HA       LEU  14 -17.036   2.266   2.266
   99   1HB   LEU  14           HB1      LEU  14 -17.629   1.538   1.538
  100   2HB   LEU  14           HB2      LEU  14 -16.810   0.002   0.002
  101    HG   LEU  14           HG       LEU  14 -14.663   1.488   1.488
  102   1HD1  LEU  14          HD22      LEU  14 -15.877   3.621   3.621
  103   2HD1  LEU  14          HD21      LEU  14 -16.497   3.293   3.293
  104   3HD1  LEU  14          HD23      LEU  14 -14.767   3.522   3.522
  105   1HD2  LEU  14          HD12      LEU  14 -15.514  -0.131  -0.131
  106   2HD2  LEU  14          HD11      LEU  14 -14.179   0.974   0.974
  107   3HD2  LEU  14          HD13      LEU  14 -15.804   1.363   1.363
  108    H    SER  15           HN       SER  15 -16.023  -1.045  -1.045
  109    HA   SER  15           HA       SER  15 -13.246  -0.627  -0.627
  110   1HB   SER  15           HB2      SER  15 -13.591  -2.870  -2.870
  111   2HB   SER  15           HB1      SER  15 -15.121  -2.737  -2.737
  112    HG   SER  15           HG       SER  15 -14.031  -2.643  -2.643
  113    H    GLY  16           HN       GLY  16 -15.735  -0.429  -0.429
  114   1HA   GLY  16           HA1      GLY  16 -13.911   0.054   0.054
  115   2HA   GLY  16           HA2      GLY  16 -15.645   0.335   0.335
  116    H    ALA  17           HN       ALA  17 -16.023   2.214   2.214
  117    HA   ALA  17           HA       ALA  17 -15.339   4.596   4.596
  118   1HB   ALA  17           HB2      ALA  17 -17.194   4.125   4.125
  119   2HB   ALA  17           HB1      ALA  17 -15.964   4.474   4.474
  120   3HB   ALA  17           HB3      ALA  17 -16.412   5.706   5.706
  121    H    ALA  18           HN       ALA  18 -13.927   3.098   3.098
  122    HA   ALA  18           HA       ALA  18 -11.972   5.127   5.127
  123   1HB   ALA  18           HB2      ALA  18 -12.898   2.950   2.950
  124   2HB   ALA  18           HB1      ALA  18 -11.222   2.543   2.543
  125   3HB   ALA  18           HB3      ALA  18 -11.598   4.047   4.047
  126    H    ALA  19           HN       ALA  19 -11.917   1.938   1.938
  127    HA   ALA  19           HA       ALA  19  -9.139   2.057   2.057
  128   1HB   ALA  19           HB2      ALA  19 -10.346  -0.067  -0.067
  129   2HB   ALA  19           HB1      ALA  19 -11.289   0.288   0.288
  130   3HB   ALA  19           HB3      ALA  19  -9.547   0.042   0.042
  131    H    ARG  20           HN       ARG  20 -12.047   3.225   3.225
  132    HA   ARG  20           HA       ARG  20 -11.055   3.439   3.439
  133   1HB   ARG  20           HB1      ARG  20 -13.448   4.490   4.490
  134   2HB   ARG  20           HB2      ARG  20 -13.045   5.139   5.139
  135   1HG   ARG  20           HG2      ARG  20 -12.957   2.280   2.280
  136   2HG   ARG  20           HG1      ARG  20 -14.496   2.815   2.815
  137   1HD   ARG  20           HD1      ARG  20 -15.079   3.990   3.990
  138   2HD   ARG  20           HD2      ARG  20 -13.410   4.093   4.093
  139    HE   ARG  20           HE       ARG  20 -14.058   1.408   1.408
  140   1HH1  ARG  20          HH21      ARG  20 -15.189   4.300   4.300
  141   2HH1  ARG  20          HH22      ARG  20 -15.718   3.471   3.471
  142   1HH2  ARG  20          HH11      ARG  20 -14.747   0.307   0.307
  143   2HH2  ARG  20          HH12      ARG  20 -15.466   1.201   1.201
  144    H    GLY  21           HN       GLY  21 -10.441   5.148   5.148
  145   1HA   GLY  21           HA2      GLY  21  -9.170   7.016   7.016
  146   2HA   GLY  21           HA1      GLY  21  -8.720   6.992   6.992
  147    H    ASP  22           HN       ASP  22 -11.203   8.055   8.055
  148    HA   ASP  22           HA       ASP  22 -11.640  10.415  10.415
  149   1HB   ASP  22           HB2      ASP  22 -13.337   8.425   8.425
  150   2HB   ASP  22           HB1      ASP  22 -14.101   9.049   9.049
  151    H    VAL  23           HN       VAL  23 -10.645  11.552  11.552
  152    HA   VAL  23           HA       VAL  23 -11.187  11.379  11.379
  153    HB   VAL  23           HB       VAL  23  -9.380  12.769  12.769
  154   1HG1  VAL  23          HG13      VAL  23 -11.173  13.657  13.657
  155   2HG1  VAL  23          HG12      VAL  23 -11.015  15.053  15.053
  156   3HG1  VAL  23          HG11      VAL  23  -9.584  14.358  14.358
  157   1HG2  VAL  23          HG21      VAL  23 -11.426  13.802  13.802
  158   2HG2  VAL  23          HG23      VAL  23  -9.684  13.643  13.643
  159   3HG2  VAL  23          HG22      VAL  23 -10.341  15.034  15.034
  160    H    GLN  24           HN       GLN  24 -13.045  12.797  12.797
  161    HA   GLN  24           HA       GLN  24 -14.816  14.291  14.291
  162   1HB   GLN  24           HB1      GLN  24 -14.310  14.078  14.078
  163   2HB   GLN  24           HB2      GLN  24 -15.989  13.610  13.610
  164   1HG   GLN  24           HG2      GLN  24 -15.893  15.822  15.822
  165   2HG   GLN  24           HG1      GLN  24 -14.692  16.228  16.228
  166   1HE2  GLN  24          HE22      GLN  24 -17.589  17.557  17.557
  167   2HE2  GLN  24          HE21      GLN  24 -16.315  17.924  17.924
  168    H    GLU  25           HN       GLU  25 -15.134  11.278  11.278
  169    HA   GLU  25           HA       GLU  25 -17.705  10.665  10.665
  170   1HB   GLU  25           HB1      GLU  25 -17.646   9.545   9.545
  171   2HB   GLU  25           HB2      GLU  25 -15.892   9.567   9.567
  172   1HG   GLU  25           HG1      GLU  25 -15.690   7.519   7.519
  173   2HG   GLU  25           HG2      GLU  25 -17.213   7.666   7.666
  174    H    VAL  26           HN       VAL  26 -14.426   9.933   9.933
  175    HA   VAL  26           HA       VAL  26 -14.762   7.646   7.646
  176    HB   VAL  26           HB       VAL  26 -12.613   9.046   9.046
  177   1HG1  VAL  26          HG21      VAL  26 -13.410  11.039  11.039
  178   2HG1  VAL  26          HG23      VAL  26 -13.336  10.102  10.102
  179   3HG1  VAL  26          HG22      VAL  26 -11.861  10.430  10.430
  180   1HG2  VAL  26          HG12      VAL  26 -12.969   6.839   6.839
  181   2HG2  VAL  26          HG11      VAL  26 -11.461   7.727   7.727
  182   3HG2  VAL  26          HG13      VAL  26 -12.728   7.841   7.841
  183    H    ARG  27           HN       ARG  27 -15.246  11.014  11.014
  184    HA   ARG  27           HA       ARG  27 -16.054  10.283  10.283
  185   1HB   ARG  27           HB2      ARG  27 -16.608  12.894  12.894
  186   2HB   ARG  27           HB1      ARG  27 -16.538  12.608  12.608
  187   1HG   ARG  27           HG1      ARG  27 -14.070  11.820  11.820
  188   2HG   ARG  27           HG2      ARG  27 -14.358  12.995  12.995
  189   1HD   ARG  27           HD2      ARG  27 -14.451  14.762  14.762
  190   2HD   ARG  27           HD1      ARG  27 -15.058  13.782  13.782
  191    HE   ARG  27           HE       ARG  27 -12.340  13.195  13.195
  192   1HH1  ARG  27          HH11      ARG  27 -14.419  15.171  15.171
  193   2HH1  ARG  27          HH12      ARG  27 -13.188  15.531  15.531
  194   1HH2  ARG  27          HH21      ARG  27 -10.711  13.662  13.662
  195   2HH2  ARG  27          HH22      ARG  27 -11.079  14.674  14.674
  196    H    ARG  28           HN       ARG  28 -17.714  10.931  10.931
  197    HA   ARG  28           HA       ARG  28 -20.307  11.312  11.312
  198   1HB   ARG  28           HB2      ARG  28 -19.345   9.809   9.809
  199   2HB   ARG  28           HB1      ARG  28 -21.002  10.342  10.342
  200   1HG   ARG  28           HG2      ARG  28 -18.802  12.345  12.345
  201   2HG   ARG  28           HG1      ARG  28 -19.341  11.758  11.758
  202   1HD   ARG  28           HD2      ARG  28 -21.575  12.427  12.427
  203   2HD   ARG  28           HD1      ARG  28 -20.485  13.797  13.797
  204    HE   ARG  28           HE       ARG  28 -22.227  12.679  12.679
  205   1HH1  ARG  28          HH21      ARG  28 -19.201  14.338  14.338
  206   2HH1  ARG  28          HH22      ARG  28 -19.197  15.044  15.044
  207   1HH2  ARG  28          HH11      ARG  28 -22.232  13.602  13.602
  208   2HH2  ARG  28          HH12      ARG  28 -20.921  14.627  14.627
  209    H    LEU  29           HN       LEU  29 -18.428   8.393   8.393
  210    HA   LEU  29           HA       LEU  29 -20.624   6.593   6.593
  211   1HB   LEU  29           HB2      LEU  29 -17.736   6.183   6.183
  212   2HB   LEU  29           HB1      LEU  29 -18.938   4.925   4.925
  213    HG   LEU  29           HG       LEU  29 -18.635   6.615   6.615
  214   1HD1  LEU  29          HD11      LEU  29 -16.282   6.401   6.401
  215   2HD1  LEU  29          HD13      LEU  29 -16.328   4.799   4.799
  216   3HD1  LEU  29          HD12      LEU  29 -16.461   6.237   6.237
  217   1HD2  LEU  29          HD23      LEU  29 -19.874   4.488   4.488
  218   2HD2  LEU  29          HD22      LEU  29 -18.589   4.472   4.472
  219   3HD2  LEU  29          HD21      LEU  29 -18.361   3.645   3.645
  220    H    LEU  30           HN       LEU  30 -18.064   7.303   7.303
  221    HA   LEU  30           HA       LEU  30 -19.506   6.315   6.315
  222   1HB   LEU  30           HB2      LEU  30 -17.362   8.390   8.390
  223   2HB   LEU  30           HB1      LEU  30 -17.724   7.050   7.050
  224    HG   LEU  30           HG       LEU  30 -15.857   6.214   6.214
  225   1HD1  LEU  30          HD22      LEU  30 -18.173   5.088   5.088
  226   2HD1  LEU  30          HD21      LEU  30 -17.272   5.361   5.361
  227   3HD1  LEU  30          HD23      LEU  30 -16.559   4.405   4.405
  228   1HD2  LEU  30          HD13      LEU  30 -16.266   8.327   8.327
  229   2HD2  LEU  30          HD12      LEU  30 -14.812   7.358   7.358
  230   3HD2  LEU  30          HD11      LEU  30 -16.016   6.857   6.857
  231    H    HIS  31           HN       HIS  31 -18.840   9.700   9.700
  232    HA   HIS  31           HA       HIS  31 -20.304  10.887  10.887
  233   1HB   HIS  31           HB2      HIS  31 -18.996  11.748  11.748
  234   2HB   HIS  31           HB1      HIS  31 -20.515  12.610  12.610
  235    HD2  HIS  31           HD2      HIS  31 -16.943  12.839  12.839
  236    HE1  HIS  31           HE1      HIS  31 -19.200  15.015  15.015
  237    HE2  HIS  31           HE2      HIS  31 -16.891  14.643  14.643
  238    H    ARG  32           HN       ARG  32 -21.444   9.186   9.186
  239    HA   ARG  32           HA       ARG  32 -24.169  10.091  10.091
  240   1HB   ARG  32           HB2      ARG  32 -23.417   9.499   9.499
  241   2HB   ARG  32           HB1      ARG  32 -24.761  10.447  10.447
  242   1HG   ARG  32           HG1      ARG  32 -22.165  11.556  11.556
  243   2HG   ARG  32           HG2      ARG  32 -22.428  11.438  11.438
  244   1HD   ARG  32           HD1      ARG  32 -23.351  13.490  13.490
  245   2HD   ARG  32           HD2      ARG  32 -24.769  12.464  12.464
  246    HE   ARG  32           HE       ARG  32 -24.763  12.955  12.955
  247   1HH1  ARG  32          HH11      ARG  32 -21.811  14.076  14.076
  248   2HH1  ARG  32          HH12      ARG  32 -21.310  14.979  14.979
  249   1HH2  ARG  32          HH21      ARG  32 -24.113  14.141  14.141
  250   2HH2  ARG  32          HH22      ARG  32 -22.620  15.016  15.016
  251    H    GLU  33           HN       GLU  33 -22.800   7.822   7.822
  252    HA   GLU  33           HA       GLU  33 -24.719   5.882   5.882
  253   1HB   GLU  33           HB1      GLU  33 -22.483   6.107   6.107
  254   2HB   GLU  33           HB2      GLU  33 -21.894   4.963   4.963
  255   1HG   GLU  33           HG1      GLU  33 -23.962   4.616   4.616
  256   2HG   GLU  33           HG2      GLU  33 -22.645   3.546   3.546
  257    H    LEU  34           HN       LEU  34 -22.310   6.644   6.644
  258    HA   LEU  34           HA       LEU  34 -21.835   5.820   5.820
  259   1HB   LEU  34           HB1      LEU  34 -24.607   5.629   5.629
  260   2HB   LEU  34           HB2      LEU  34 -24.120   4.083   4.083
  261    HG   LEU  34           HG       LEU  34 -23.940   6.810   6.810
  262   1HD1  LEU  34          HD13      LEU  34 -25.628   4.673   4.673
  263   2HD1  LEU  34          HD12      LEU  34 -24.489   4.484   4.484
  264   3HD1  LEU  34          HD11      LEU  34 -25.391   5.988   5.988
  265   1HD2  LEU  34          HD22      LEU  34 -22.126   4.485   4.485
  266   2HD2  LEU  34          HD21      LEU  34 -21.712   6.182   6.182
  267   3HD2  LEU  34          HD23      LEU  34 -22.506   5.668   5.668
  268    H    VAL  35           HN       VAL  35 -21.446   4.178   4.178
  269    HA   VAL  35           HA       VAL  35 -21.605   1.478   1.478
  270    HB   VAL  35           HB       VAL  35 -20.701   2.571   2.571
  271   1HG1  VAL  35          HG21      VAL  35 -19.195   4.147   4.147
  272   2HG1  VAL  35          HG23      VAL  35 -18.143   2.798   2.798
  273   3HG1  VAL  35          HG22      VAL  35 -18.378   3.231   3.231
  274   1HG2  VAL  35          HG11      VAL  35 -20.190   0.089   0.089
  275   2HG2  VAL  35          HG13      VAL  35 -19.684   0.671   0.671
  276   3HG2  VAL  35          HG12      VAL  35 -18.547   0.685   0.685
  277    H    HIS  36           HN       HIS  36 -20.121  -0.137  -0.137
  278    HA   HIS  36           HA       HIS  36 -18.769   0.665   0.665
  279   1HB   HIS  36           HB2      HIS  36 -20.252  -1.601  -1.601
  280   2HB   HIS  36           HB1      HIS  36 -18.602  -2.158  -2.158
  281    HD2  HIS  36           HD2      HIS  36 -20.019   0.648   0.648
  282    HE1  HIS  36           HE1      HIS  36 -19.745  -2.944  -2.944
  283    HE2  HIS  36           HE2      HIS  36 -20.382  -0.492  -0.492
  284    HA   PRO  37           HA       PRO  37 -14.835   0.698   0.698
  285   1HB   PRO  37           HB1      PRO  37 -13.316   0.900   0.900
  286   2HB   PRO  37           HB2      PRO  37 -14.112   2.271   2.271
  287   1HG   PRO  37           HG1      PRO  37 -15.001   0.646   0.646
  288   2HG   PRO  37           HG2      PRO  37 -15.057   2.404   2.404
  289   1HD   PRO  37           HD1      PRO  37 -17.241   0.875   0.875
  290   2HD   PRO  37           HD2      PRO  37 -16.945   2.294   2.294
  291    H    ASP  38           HN       ASP  38 -16.063  -1.628  -1.628
  292    HA   ASP  38           HA       ASP  38 -13.725  -3.373  -3.373
  293   1HB   ASP  38           HB2      ASP  38 -15.741  -4.457  -4.457
  294   2HB   ASP  38           HB1      ASP  38 -15.284  -2.832  -2.832
  295    H    ALA  39           HN       ALA  39 -16.002  -2.752  -2.752
  296    HA   ALA  39           HA       ALA  39 -17.209  -5.406  -5.406
  297   1HB   ALA  39           HB1      ALA  39 -18.686  -3.434  -3.434
  298   2HB   ALA  39           HB3      ALA  39 -17.809  -2.877  -2.877
  299   3HB   ALA  39           HB2      ALA  39 -18.723  -4.384  -4.384
  300    H    LEU  40           HN       LEU  40 -16.937  -6.691  -6.691
  301    HA   LEU  40           HA       LEU  40 -14.814  -5.854  -5.854
  302   1HB   LEU  40           HB2      LEU  40 -15.396  -8.695  -8.695
  303   2HB   LEU  40           HB1      LEU  40 -14.024  -8.107  -8.107
  304    HG   LEU  40           HG       LEU  40 -13.311  -6.837  -6.837
  305   1HD1  LEU  40          HD21      LEU  40 -15.724  -8.217  -8.217
  306   2HD1  LEU  40          HD23      LEU  40 -14.327  -8.064  -8.064
  307   3HD1  LEU  40          HD22      LEU  40 -15.076  -6.622  -6.622
  308   1HD2  LEU  40          HD13      LEU  40 -13.357  -9.787  -9.787
  309   2HD2  LEU  40          HD12      LEU  40 -11.993  -8.670  -8.670
  310   3HD2  LEU  40          HD11      LEU  40 -12.779  -9.121  -9.121
  311    H    ASN  41           HN       ASN  41 -14.905  -6.864  -6.864
  312    HA   ASN  41           HA       ASN  41 -17.525  -6.691  -6.691
  313   1HB   ASN  41           HB2      ASN  41 -15.264  -7.900  -7.900
  314   2HB   ASN  41           HB1      ASN  41 -16.506  -6.772  -6.772
  315   1HD2  ASN  41          HD22      ASN  41 -12.971  -5.344  -5.344
  316   2HD2  ASN  41          HD21      ASN  41 -13.387  -6.945  -6.945
  317    H    ARG  42           HN       ARG  42 -17.367  -8.716  -8.716
  318    HA   ARG  42           HA       ARG  42 -18.521 -10.896 -10.896
  319   1HB   ARG  42           HB2      ARG  42 -17.917 -11.237 -11.237
  320   2HB   ARG  42           HB1      ARG  42 -19.396 -11.573 -11.573
  321   1HG   ARG  42           HG1      ARG  42 -20.193  -9.793  -9.793
  322   2HG   ARG  42           HG2      ARG  42 -19.319  -8.866  -8.866
  323   1HD   ARG  42           HD2      ARG  42 -17.473  -9.559  -9.559
  324   2HD   ARG  42           HD1      ARG  42 -18.920  -8.931  -8.931
  325    HE   ARG  42           HE       ARG  42 -18.368  -7.167  -7.167
  326   1HH1  ARG  42          HH21      ARG  42 -16.694  -8.378  -8.378
  327   2HH1  ARG  42          HH22      ARG  42 -15.778  -6.929  -6.929
  328   1HH2  ARG  42          HH11      ARG  42 -17.166  -5.252  -5.252
  329   2HH2  ARG  42          HH12      ARG  42 -16.044  -5.152  -5.152
  330    H    PHE  43           HN       PHE  43 -15.388 -10.081 -10.081
  331    HA   PHE  43           HA       PHE  43 -14.465 -12.836 -12.836
  332   1HB   PHE  43           HB2      PHE  43 -12.736 -10.368 -10.368
  333   2HB   PHE  43           HB1      PHE  43 -12.353 -11.940 -11.940
  334    HD1  PHE  43           HD1      PHE  43 -15.014 -12.329 -12.329
  335    HD2  PHE  43           HD2      PHE  43 -12.313  -9.037  -9.037
  336    HE1  PHE  43           HE1      PHE  43 -15.790 -11.546 -11.546
  337    HE2  PHE  43           HE2      PHE  43 -13.085  -8.247  -8.247
  338    HZ   PHE  43           HZ       PHE  43 -14.825  -9.502  -9.502
  339    H    GLY  44           HN       GLY  44 -14.090 -10.065 -10.065
  340   1HA   GLY  44           HA1      GLY  44 -14.187 -10.657 -10.657
  341   2HA   GLY  44           HA2      GLY  44 -13.056 -11.946 -11.946
  342    H    LYS  45           HN       LYS  45 -12.976  -8.628  -8.628
  343    HA   LYS  45           HA       LYS  45 -10.431  -8.256  -8.256
  344   1HB   LYS  45           HB1      LYS  45 -11.137  -6.853  -6.853
  345   2HB   LYS  45           HB2      LYS  45  -9.554  -7.052  -7.052
  346   1HG   LYS  45           HG2      LYS  45  -9.345  -9.238  -9.238
  347   2HG   LYS  45           HG1      LYS  45 -11.087  -9.448  -9.448
  348   1HD   LYS  45           HD2      LYS  45 -10.668  -9.149  -9.149
  349   2HD   LYS  45           HD1      LYS  45 -10.589  -7.437  -7.437
  350   1HE   LYS  45           HE2      LYS  45  -8.314  -7.362  -7.362
  351   2HE   LYS  45           HE1      LYS  45  -8.120  -9.053  -9.053
  352   1HZ   LYS  45           HZ1      LYS  45  -9.437  -8.588  -8.588
  353   2HZ   LYS  45           HZ3      LYS  45  -7.803  -8.155  -8.155
  354   3HZ   LYS  45           HZ2      LYS  45  -8.272  -9.739  -9.739
  355    H    THR  46           HN       THR  46 -10.042  -6.295  -6.295
  356    HA   THR  46           HA       THR  46 -12.409  -4.749  -4.749
  357    HB   THR  46           HB       THR  46 -10.394  -3.495  -3.495
  358    HG1  THR  46           HG1      THR  46  -8.905  -5.024  -5.024
  359   1HG2  THR  46          HG21      THR  46 -12.349  -5.512  -5.512
  360   2HG2  THR  46          HG23      THR  46 -10.892  -5.667  -5.667
  361   3HG2  THR  46          HG22      THR  46 -11.776  -4.140  -4.140
  362    H    ALA  47           HN       ALA  47 -12.462  -2.417  -2.417
  363    HA   ALA  47           HA       ALA  47 -11.841  -1.389  -1.389
  364   1HB   ALA  47           HB2      ALA  47 -13.594  -0.480  -0.480
  365   2HB   ALA  47           HB1      ALA  47 -12.353   0.167   0.167
  366   3HB   ALA  47           HB3      ALA  47 -12.499   0.775   0.775
  367    H    LEU  48           HN       LEU  48 -10.055  -1.261  -1.261
  368    HA   LEU  48           HA       LEU  48  -8.152   0.671   0.671
  369   1HB   LEU  48           HB1      LEU  48  -8.585  -1.152  -1.152
  370   2HB   LEU  48           HB2      LEU  48  -6.909  -1.270  -1.270
  371    HG   LEU  48           HG       LEU  48  -8.374   1.085   1.085
  372   1HD1  LEU  48          HD13      LEU  48  -6.657  -0.787  -0.787
  373   2HD1  LEU  48          HD12      LEU  48  -5.607   0.595   0.595
  374   3HD1  LEU  48          HD11      LEU  48  -7.038   0.786   0.786
  375   1HD2  LEU  48          HD23      LEU  48  -6.413   1.165   1.165
  376   2HD2  LEU  48          HD22      LEU  48  -7.370   2.469   2.469
  377   3HD2  LEU  48          HD21      LEU  48  -5.843   1.995   1.995
  378    H    GLN  49           HN       GLN  49  -8.307  -2.797  -2.797
  379    HA   GLN  49           HA       GLN  49  -5.653  -3.012  -3.012
  380   1HB   GLN  49           HB1      GLN  49  -7.691  -4.977  -4.977
  381   2HB   GLN  49           HB2      GLN  49  -6.079  -5.239  -5.239
  382   1HG   GLN  49           HG2      GLN  49  -7.015  -4.547  -4.547
  383   2HG   GLN  49           HG1      GLN  49  -8.611  -4.653  -4.653
  384   1HE2  GLN  49          HE22      GLN  49  -6.443  -8.119  -8.119
  385   2HE2  GLN  49          HE21      GLN  49  -5.664  -6.630  -6.630
  386    H    VAL  50           HN       VAL  50  -8.851  -3.106  -3.106
  387    HA   VAL  50           HA       VAL  50  -7.907  -3.120  -3.120
  388    HB   VAL  50           HB       VAL  50 -10.227  -1.939  -1.939
  389   1HG1  VAL  50          HG13      VAL  50  -9.333  -4.583  -4.583
  390   2HG1  VAL  50          HG12      VAL  50 -10.883  -4.533  -4.533
  391   3HG1  VAL  50          HG11      VAL  50 -10.769  -3.998  -3.998
  392   1HG2  VAL  50          HG23      VAL  50 -10.248  -1.561  -1.561
  393   2HG2  VAL  50          HG22      VAL  50 -11.727  -1.845  -1.845
  394   3HG2  VAL  50          HG21      VAL  50 -10.971  -3.171  -3.171
  395    H    MET  51           HN       MET  51  -7.977  -0.590  -0.590
  396    HA   MET  51           HA       MET  51  -8.326   1.725   1.725
  397   1HB   MET  51           HB2      MET  51  -7.237   1.055   1.055
  398   2HB   MET  51           HB1      MET  51  -5.887   1.822   1.822
  399   1HG   MET  51           HG1      MET  51  -7.282   3.789   3.789
  400   2HG   MET  51           HG2      MET  51  -8.615   3.020   3.020
  401   1HE   MET  51           HE3      MET  51  -5.458   1.889   1.889
  402   2HE   MET  51           HE2      MET  51  -4.655   3.366   3.366
  403   3HE   MET  51           HE1      MET  51  -4.922   3.075   3.075
  404    H    MET  52           HN       MET  52  -7.048   3.118   3.118
  405    HA   MET  52           HA       MET  52  -4.845   1.768   1.768
  406   1HB   MET  52           HB1      MET  52  -5.332   3.520   3.520
  407   2HB   MET  52           HB2      MET  52  -6.527   2.250   2.250
  408   1HG   MET  52           HG1      MET  52  -7.639   4.351   4.351
  409   2HG   MET  52           HG2      MET  52  -7.876   3.785   3.785
  410   1HE   MET  52           HE2      MET  52  -8.451   5.547   5.547
  411   2HE   MET  52           HE1      MET  52  -6.980   5.306   5.306
  412   3HE   MET  52           HE3      MET  52  -7.462   6.933   6.933
  413    H    PHE  53           HN       PHE  53  -4.764   3.373   3.373
  414    HA   PHE  53           HA       PHE  53  -3.700   5.223   5.223
  415   1HB   PHE  53           HB2      PHE  53  -1.505   4.076   4.076
  416   2HB   PHE  53           HB1      PHE  53  -1.291   5.023   5.023
  417    HD1  PHE  53           HD1      PHE  53  -3.215   1.986   1.986
  418    HD2  PHE  53           HD2      PHE  53  -0.638   3.821   3.821
  419    HE1  PHE  53           HE1      PHE  53  -3.222  -0.089  -0.089
  420    HE2  PHE  53           HE2      PHE  53  -0.642   1.748   1.748
  421    HZ   PHE  53           HZ       PHE  53  -1.933  -0.208  -0.208
  422    H    GLY  54           HN       GLY  54  -5.195   6.446   6.446
  423   1HA   GLY  54           HA2      GLY  54  -3.439   8.044   8.044
  424   2HA   GLY  54           HA1      GLY  54  -5.171   7.848   7.848
  425    H    SER  55           HN       SER  55  -6.549   8.719   8.719
  426    HA   SER  55           HA       SER  55  -5.655  11.412  11.412
  427   1HB   SER  55           HB2      SER  55  -7.835  11.905  11.905
  428   2HB   SER  55           HB1      SER  55  -8.159  10.210  10.210
  429    HG   SER  55           HG       SER  55  -8.579  11.613  11.613
  430    HA   PRO  56           HA       PRO  56  -3.967  10.336  10.336
  431   1HB   PRO  56           HB2      PRO  56  -4.449  13.239  13.239
  432   2HB   PRO  56           HB1      PRO  56  -2.977  12.292  12.292
  433   1HG   PRO  56           HG1      PRO  56  -3.219  13.933  13.933
  434   2HG   PRO  56           HG2      PRO  56  -2.406  12.364  12.364
  435   1HD   PRO  56           HD1      PRO  56  -5.135  13.185  13.185
  436   2HD   PRO  56           HD2      PRO  56  -3.972  12.085  12.085
  437    H    ALA  57           HN       ALA  57  -6.695  12.610  12.610
  438    HA   ALA  57           HA       ALA  57  -7.668  12.215  12.215
  439   1HB   ALA  57           HB3      ALA  57  -8.278  13.916  13.916
  440   2HB   ALA  57           HB2      ALA  57  -9.688  12.857  12.857
  441   3HB   ALA  57           HB1      ALA  57  -9.230  13.728  13.728
  442    H    VAL  58           HN       VAL  58  -8.148  10.441  10.441
  443    HA   VAL  58           HA       VAL  58 -10.427   8.986   8.986
  444    HB   VAL  58           HB       VAL  58  -8.242   8.654   8.654
  445   1HG1  VAL  58          HG11      VAL  58 -10.162   6.443   6.443
  446   2HG1  VAL  58          HG13      VAL  58  -9.162   6.497   6.497
  447   3HG1  VAL  58          HG12      VAL  58  -8.405   6.404   6.404
  448   1HG2  VAL  58          HG22      VAL  58 -10.778   9.721   9.721
  449   2HG2  VAL  58          HG21      VAL  58  -9.808   9.334   9.334
  450   3HG2  VAL  58          HG23      VAL  58 -10.984   8.168   8.168
  451    H    ALA  59           HN       ALA  59  -6.967   8.264   8.264
  452    HA   ALA  59           HA       ALA  59  -7.270   5.762   5.762
  453   1HB   ALA  59           HB2      ALA  59  -5.050   7.724   7.724
  454   2HB   ALA  59           HB1      ALA  59  -4.883   6.414   6.414
  455   3HB   ALA  59           HB3      ALA  59  -5.147   6.045   6.045
  456    H    LEU  60           HN       LEU  60  -6.679   8.988   8.988
  457    HA   LEU  60           HA       LEU  60  -6.666   8.207   8.207
  458   1HB   LEU  60           HB1      LEU  60  -5.881  10.399  10.399
  459   2HB   LEU  60           HB2      LEU  60  -7.564  10.891  10.891
  460    HG   LEU  60           HG       LEU  60  -5.869  10.225  10.225
  461   1HD1  LEU  60          HD12      LEU  60  -5.549  12.444  12.444
  462   2HD1  LEU  60          HD11      LEU  60  -7.206  12.825  12.825
  463   3HD1  LEU  60          HD13      LEU  60  -5.986  12.520  12.520
  464   1HD2  LEU  60          HD22      LEU  60  -8.804  10.600  10.600
  465   2HD2  LEU  60          HD21      LEU  60  -7.918   9.499   9.499
  466   3HD2  LEU  60          HD23      LEU  60  -8.025  11.212  11.212
  467    H    GLU  61           HN       GLU  61  -9.297   9.376   9.376
  468    HA   GLU  61           HA       GLU  61 -11.267   9.535   9.535
  469   1HB   GLU  61           HB2      GLU  61 -11.253  10.372  10.372
  470   2HB   GLU  61           HB1      GLU  61 -11.956   8.799   8.799
  471   1HG   GLU  61           HG1      GLU  61 -13.918   9.287   9.287
  472   2HG   GLU  61           HG2      GLU  61 -13.164  10.453  10.453
  473    H    LEU  62           HN       LEU  62 -10.890   6.991   6.991
  474    HA   LEU  62           HA       LEU  62 -12.749   5.243   5.243
  475   1HB   LEU  62           HB2      LEU  62 -12.411   4.031   4.031
  476   2HB   LEU  62           HB1      LEU  62 -11.337   5.315   5.315
  477    HG   LEU  62           HG       LEU  62  -9.451   4.024   4.024
  478   1HD1  LEU  62          HD23      LEU  62 -11.605   2.451   2.451
  479   2HD1  LEU  62          HD22      LEU  62 -10.680   1.459   1.459
  480   3HD1  LEU  62          HD21      LEU  62  -9.879   2.196   2.196
  481   1HD2  LEU  62          HD11      LEU  62 -10.254   4.017   4.017
  482   2HD2  LEU  62          HD13      LEU  62  -9.020   2.882   2.882
  483   3HD2  LEU  62          HD12      LEU  62 -10.690   2.347   2.347
  484    H    LEU  63           HN       LEU  63  -9.265   5.584   5.584
  485    HA   LEU  63           HA       LEU  63  -8.825   3.228   3.228
  486   1HB   LEU  63           HB2      LEU  63  -6.965   4.399   4.399
  487   2HB   LEU  63           HB1      LEU  63  -7.360   5.859   5.859
  488    HG   LEU  63           HG       LEU  63  -6.757   4.771   4.771
  489   1HD1  LEU  63          HD23      LEU  63  -7.315   2.432   2.432
  490   2HD1  LEU  63          HD22      LEU  63  -5.556   2.431   2.431
  491   3HD1  LEU  63          HD21      LEU  63  -6.324   2.573   2.573
  492   1HD2  LEU  63          HD11      LEU  63  -5.064   5.829   5.829
  493   2HD2  LEU  63          HD13      LEU  63  -4.488   4.996   4.996
  494   3HD2  LEU  63          HD12      LEU  63  -4.466   4.174   4.174
  495    H    LYS  64           HN       LYS  64  -9.325   6.577   6.577
  496    HA   LYS  64           HA       LYS  64  -9.302   5.983   5.983
  497   1HB   LYS  64           HB1      LYS  64  -9.049   8.260   8.260
  498   2HB   LYS  64           HB2      LYS  64 -10.765   8.247   8.247
  499   1HG   LYS  64           HG1      LYS  64 -11.252   7.994   7.994
  500   2HG   LYS  64           HG2      LYS  64  -9.525   8.149   8.149
  501   1HD   LYS  64           HD1      LYS  64 -10.688  10.262  10.262
  502   2HD   LYS  64           HD2      LYS  64 -11.260  10.224  10.224
  503   1HE   LYS  64           HE2      LYS  64  -8.349   9.941   9.941
  504   2HE   LYS  64           HE1      LYS  64  -9.032  11.514  11.514
  505   1HZ   LYS  64           HZ3      LYS  64  -9.559  10.163  10.163
  506   2HZ   LYS  64           HZ2      LYS  64  -8.269  11.233  11.233
  507   3HZ   LYS  64           HZ1      LYS  64  -9.860  11.777  11.777
  508    H    GLN  65           HN       GLN  65 -11.867   5.912   5.912
  509    HA   GLN  65           HA       GLN  65 -14.139   5.901   5.901
  510   1HB   GLN  65           HB1      GLN  65 -13.547   5.290   5.290
  511   2HB   GLN  65           HB2      GLN  65 -14.106   3.742   3.742
  512   1HG   GLN  65           HG1      GLN  65 -15.911   5.040   5.040
  513   2HG   GLN  65           HG2      GLN  65 -16.193   4.732   4.732
  514   1HE2  GLN  65          HE22      GLN  65 -14.795   8.492   8.492
  515   2HE2  GLN  65          HE21      GLN  65 -13.894   7.102   7.102
  516    H    GLY  66           HN       GLY  66 -11.641   3.508   3.508
  517   1HA   GLY  66           HA1      GLY  66 -11.803   2.245   2.245
  518   2HA   GLY  66           HA2      GLY  66 -13.304   1.647   1.647
  519    H    ALA  67           HN       ALA  67 -11.753   1.810   1.810
  520    HA   ALA  67           HA       ALA  67 -11.341  -0.798  -0.798
  521   1HB   ALA  67           HB2      ALA  67 -10.837   1.482   1.482
  522   2HB   ALA  67           HB1      ALA  67  -9.200   0.882   0.882
  523   3HB   ALA  67           HB3      ALA  67 -10.391  -0.131  -0.131
  524    H    SER  68           HN       SER  68  -9.643  -2.290  -2.290
  525    HA   SER  68           HA       SER  68  -7.714  -1.772  -1.772
  526   1HB   SER  68           HB2      SER  68  -9.379  -3.975  -3.975
  527   2HB   SER  68           HB1      SER  68  -7.729  -4.511  -4.511
  528    HG   SER  68           HG       SER  68  -7.200  -4.178  -4.178
  529    HA   PRO  69           HA       PRO  69  -4.594  -1.515  -1.515
  530   1HB   PRO  69           HB1      PRO  69  -2.483  -1.157  -1.157
  531   2HB   PRO  69           HB2      PRO  69  -3.647   0.128   0.128
  532   1HG   PRO  69           HG2      PRO  69  -3.483  -1.698  -1.698
  533   2HG   PRO  69           HG1      PRO  69  -3.789   0.049   0.049
  534   1HD   PRO  69           HD1      PRO  69  -5.772  -1.782  -1.782
  535   2HD   PRO  69           HD2      PRO  69  -6.010  -0.227  -0.227
  536    H    ASN  70           HN       ASN  70  -4.861  -3.854  -3.854
  537    HA   ASN  70           HA       ASN  70  -2.578  -5.410  -5.410
  538   1HB   ASN  70           HB1      ASN  70  -4.652  -6.223  -6.223
  539   2HB   ASN  70           HB2      ASN  70  -3.021  -6.860  -6.860
  540   1HD2  ASN  70          HD22      ASN  70  -1.517  -4.478  -4.478
  541   2HD2  ASN  70          HD21      ASN  70  -1.370  -5.892  -5.892
  542    H    VAL  71           HN       VAL  71  -3.997  -5.253  -5.253
  543    HA   VAL  71           HA       VAL  71  -5.777  -7.586  -7.586
  544    HB   VAL  71           HB       VAL  71  -6.619  -6.718  -6.718
  545   1HG1  VAL  71          HG12      VAL  71  -6.510  -4.969  -4.969
  546   2HG1  VAL  71          HG11      VAL  71  -7.103  -4.234  -4.234
  547   3HG1  VAL  71          HG13      VAL  71  -7.897  -5.666  -5.666
  548   1HG2  VAL  71          HG21      VAL  71  -4.111  -5.464  -5.464
  549   2HG2  VAL  71          HG23      VAL  71  -5.419  -5.435  -5.435
  550   3HG2  VAL  71          HG22      VAL  71  -5.310  -4.171  -4.171
  551    H    GLN  72           HN       GLN  72  -5.666  -8.665  -8.665
  552    HA   GLN  72           HA       GLN  72  -2.992  -8.835  -8.835
  553   1HB   GLN  72           HB2      GLN  72  -4.149 -10.922 -10.922
  554   2HB   GLN  72           HB1      GLN  72  -3.318 -11.481 -11.481
  555   1HG   GLN  72           HG2      GLN  72  -1.512 -11.424 -11.424
  556   2HG   GLN  72           HG1      GLN  72  -1.520  -9.704  -9.704
  557   1HE2  GLN  72          HE22      GLN  72  -1.225 -10.159 -10.159
  558   2HE2  GLN  72          HE21      GLN  72  -0.338 -10.705 -10.705
  559    H    ASP  73           HN       ASP  73  -3.081  -9.215  -9.215
  560    HA   ASP  73           HA       ASP  73  -5.651 -10.082 -10.082
  561   1HB   ASP  73           HB2      ASP  73  -4.435  -7.844  -7.844
  562   2HB   ASP  73           HB1      ASP  73  -3.448  -8.885  -8.885
  563    H    ALA  74           HN       ALA  74  -5.815 -12.037 -12.037
  564    HA   ALA  74           HA       ALA  74  -5.297 -14.045 -14.045
  565   1HB   ALA  74           HB3      ALA  74  -2.818 -12.577 -12.577
  566   2HB   ALA  74           HB2      ALA  74  -3.289 -14.183 -14.183
  567   3HB   ALA  74           HB1      ALA  74  -4.307 -12.790 -12.790
  568    H    SER  75           HN       SER  75  -1.991 -13.047 -13.047
  569    HA   SER  75           HA       SER  75  -1.892 -15.281 -15.281
  570   1HB   SER  75           HB2      SER  75  -0.451 -15.797 -15.797
  571   2HB   SER  75           HB1      SER  75   0.262 -14.184 -14.184
  572    HG   SER  75           HG       SER  75   1.274 -14.678 -14.678
  573    H    GLY  76           HN       GLY  76  -0.001 -12.335 -12.335
  574   1HA   GLY  76           HA1      GLY  76  -0.515 -11.301 -11.301
  575   2HA   GLY  76           HA2      GLY  76   1.138 -11.836 -11.836
  576    H    THR  77           HN       THR  77  -0.638 -10.524 -10.524
  577    HA   THR  77           HA       THR  77   1.254  -8.351  -8.351
  578    HB   THR  77           HB       THR  77  -1.154  -8.825  -8.825
  579    HG1  THR  77           HG1      THR  77  -0.179 -10.453 -10.453
  580   1HG2  THR  77          HG23      THR  77   1.370  -7.289  -7.289
  581   2HG2  THR  77          HG22      THR  77   0.693  -8.057  -8.057
  582   3HG2  THR  77          HG21      THR  77  -0.265  -6.888  -6.888
  583    H    SER  78           HN       SER  78   0.343  -7.569  -7.569
  584    HA   SER  78           HA       SER  78  -2.166  -6.361  -6.361
  585   1HB   SER  78           HB2      SER  78  -0.297  -4.834  -4.834
  586   2HB   SER  78           HB1      SER  78  -1.418  -6.068  -6.068
  587    HG   SER  78           HG       SER  78   0.157  -7.624  -7.624
  588    HA   PRO  79           HA       PRO  79  -2.304  -2.474  -2.474
  589   1HB   PRO  79           HB1      PRO  79  -1.983  -1.064  -1.064
  590   2HB   PRO  79           HB2      PRO  79  -3.203  -0.837  -0.837
  591   1HG   PRO  79           HG2      PRO  79  -3.790  -2.143  -2.143
  592   2HG   PRO  79           HG1      PRO  79  -4.438  -2.678  -2.678
  593   1HD   PRO  79           HD2      PRO  79  -2.252  -3.851  -3.851
  594   2HD   PRO  79           HD1      PRO  79  -3.433  -4.656  -4.656
  595    H    VAL  80           HN       VAL  80   0.044  -2.404  -2.404
  596    HA   VAL  80           HA       VAL  80   1.708  -0.405  -0.405
  597    HB   VAL  80           HB       VAL  80   1.727  -2.207  -2.207
  598   1HG1  VAL  80          HG11      VAL  80   3.047  -3.822  -3.822
  599   2HG1  VAL  80          HG13      VAL  80   4.274  -2.594  -2.594
  600   3HG1  VAL  80          HG12      VAL  80   3.979  -3.153  -3.153
  601   1HG2  VAL  80          HG23      VAL  80   2.754   0.275   0.275
  602   2HG2  VAL  80          HG22      VAL  80   2.784  -0.508  -0.508
  603   3HG2  VAL  80          HG21      VAL  80   4.166  -0.661  -0.661
  604    H    HIS  81           HN       HIS  81   1.708  -3.831  -3.831
  605    HA   HIS  81           HA       HIS  81   4.072  -3.976  -3.976
  606   1HB   HIS  81           HB1      HIS  81   1.480  -5.428  -5.428
  607   2HB   HIS  81           HB2      HIS  81   2.569  -5.636  -5.636
  608    HD2  HIS  81           HD2      HIS  81   5.258  -6.488  -6.488
  609    HE1  HIS  81           HE1      HIS  81   3.557  -8.527  -8.527
  610    HE2  HIS  81           HE2      HIS  81   5.681  -8.114  -8.114
  611    H    ASP  82           HN       ASP  82   0.874  -3.572  -3.572
  612    HA   ASP  82           HA       ASP  82   1.904  -2.770  -2.770
  613   1HB   ASP  82           HB1      ASP  82  -0.618  -3.343  -3.343
  614   2HB   ASP  82           HB2      ASP  82  -0.726  -1.663  -1.663
  615    H    ALA  83           HN       ALA  83   1.131  -0.987  -0.987
  616    HA   ALA  83           HA       ALA  83   0.903   1.593   1.593
  617   1HB   ALA  83           HB2      ALA  83   0.798   0.572   0.572
  618   2HB   ALA  83           HB1      ALA  83   2.448   1.194   1.194
  619   3HB   ALA  83           HB3      ALA  83   1.106   2.286   2.286
  620    H    ALA  84           HN       ALA  84   3.823  -0.282  -0.282
  621    HA   ALA  84           HA       ALA  84   5.639   1.862   1.862
  622   1HB   ALA  84           HB3      ALA  84   6.035  -1.124  -1.124
  623   2HB   ALA  84           HB2      ALA  84   7.345   0.049   0.049
  624   3HB   ALA  84           HB1      ALA  84   6.355  -0.001  -0.001
  625    H    ARG  85           HN       ARG  85   4.633  -0.886  -0.886
  626    HA   ARG  85           HA       ARG  85   6.146  -0.021  -0.021
  627   1HB   ARG  85           HB1      ARG  85   3.785  -1.870  -1.870
  628   2HB   ARG  85           HB2      ARG  85   5.254  -1.875  -1.875
  629   1HG   ARG  85           HG2      ARG  85   6.513  -2.565  -2.565
  630   2HG   ARG  85           HG1      ARG  85   4.974  -2.702  -2.702
  631   1HD   ARG  85           HD1      ARG  85   4.426  -4.172  -4.172
  632   2HD   ARG  85           HD2      ARG  85   6.165  -4.439  -4.439
  633    HE   ARG  85           HE       ARG  85   4.714  -4.827  -4.827
  634   1HH1  ARG  85          HH21      ARG  85   5.944  -6.290  -6.290
  635   2HH1  ARG  85          HH22      ARG  85   5.956  -7.893  -7.893
  636   1HH2  ARG  85          HH11      ARG  85   4.723  -6.934  -6.934
  637   2HH2  ARG  85          HH12      ARG  85   5.261  -8.259  -8.259
  638    H    THR  86           HN       THR  86   2.950   0.631   0.631
  639    HA   THR  86           HA       THR  86   1.830   1.542   1.542
  640    HB   THR  86           HB       THR  86   0.126   2.624   2.624
  641    HG1  THR  86           HG1      THR  86   1.594   1.316   1.316
  642   1HG2  THR  86          HG22      THR  86   0.768  -0.272  -0.272
  643   2HG2  THR  86          HG21      THR  86  -0.478   0.347   0.347
  644   3HG2  THR  86          HG23      THR  86  -0.638   0.565   0.565
  645    H    GLY  87           HN       GLY  87   4.305   2.812   2.812
  646   1HA   GLY  87           HA2      GLY  87   5.211   4.924   4.924
  647   2HA   GLY  87           HA1      GLY  87   4.705   5.087   5.087
  648    H    PHE  88           HN       PHE  88   3.573   5.453   5.453
  649    HA   PHE  88           HA       PHE  88   2.302   7.949   7.949
  650   1HB   PHE  88           HB2      PHE  88   0.697   5.476   5.476
  651   2HB   PHE  88           HB1      PHE  88   0.089   7.046   7.046
  652    HD1  PHE  88           HD2      PHE  88   0.656   8.869   8.869
  653    HD2  PHE  88           HD1      PHE  88  -0.388   4.746   4.746
  654    HE1  PHE  88           HE2      PHE  88  -0.228   9.268   9.268
  655    HE2  PHE  88           HE1      PHE  88  -1.273   5.138   5.138
  656    HZ   PHE  88           HZ       PHE  88  -1.194   7.402   7.402
  657    H    LEU  89           HN       LEU  89   4.263   7.977   7.977
  658    HA   LEU  89           HA       LEU  89   4.091   7.177   7.177
  659   1HB   LEU  89           HB2      LEU  89   6.113   8.125   8.125
  660   2HB   LEU  89           HB1      LEU  89   5.326   9.672   9.672
  661    HG   LEU  89           HG       LEU  89   5.108   9.928   9.928
  662   1HD1  LEU  89          HD21      LEU  89   6.607   7.317   7.317
  663   2HD1  LEU  89          HD23      LEU  89   6.455   8.387   8.387
  664   3HD1  LEU  89          HD22      LEU  89   5.016   7.657   7.657
  665   1HD2  LEU  89          HD13      LEU  89   7.690   9.703   9.703
  666   2HD2  LEU  89          HD12      LEU  89   6.958  11.082  11.082
  667   3HD2  LEU  89          HD11      LEU  89   7.762   9.824   9.824
  668    H    ASP  90           HN       ASP  90   2.233   9.561   9.561
  669    HA   ASP  90           HA       ASP  90   1.583  11.249  11.249
  670   1HB   ASP  90           HB1      ASP  90  -0.346  10.608  10.608
  671   2HB   ASP  90           HB2      ASP  90  -0.114  12.132  12.132
  672    H    THR  91           HN       THR  91  -0.641   8.896   8.896
  673    HA   THR  91           HA       THR  91  -2.213   8.724   8.724
  674    HB   THR  91           HB       THR  91  -2.448   6.619   6.619
  675    HG1  THR  91           HG1      THR  91  -2.576   9.349   9.349
  676   1HG2  THR  91          HG21      THR  91  -4.220   8.103   8.103
  677   2HG2  THR  91          HG23      THR  91  -4.867   7.790   7.790
  678   3HG2  THR  91          HG22      THR  91  -4.326   6.448   6.448
  679    H    LEU  92           HN       LEU  92   0.560   7.106   7.106
  680    HA   LEU  92           HA       LEU  92   0.228   4.663   4.663
  681   1HB   LEU  92           HB2      LEU  92   1.674   4.596   4.596
  682   2HB   LEU  92           HB1      LEU  92   2.572   6.000   6.000
  683    HG   LEU  92           HG       LEU  92   2.594   3.401   3.401
  684   1HD1  LEU  92          HD11      LEU  92   3.587   3.756   3.756
  685   2HD1  LEU  92          HD13      LEU  92   4.988   3.906   3.906
  686   3HD1  LEU  92          HD12      LEU  92   3.982   2.458   2.458
  687   1HD2  LEU  92          HD22      LEU  92   4.044   5.986   5.986
  688   2HD2  LEU  92          HD21      LEU  92   3.502   4.924   4.924
  689   3HD2  LEU  92          HD23      LEU  92   4.946   4.517   4.517
  690    H    LYS  93           HN       LYS  93   1.932   7.700   7.700
  691    HA   LYS  93           HA       LYS  93   3.166   6.931   6.931
  692   1HB   LYS  93           HB1      LYS  93   3.912   8.858   8.858
  693   2HB   LYS  93           HB2      LYS  93   2.402   9.689   9.689
  694   1HG   LYS  93           HG1      LYS  93   2.985   9.595   9.595
  695   2HG   LYS  93           HG2      LYS  93   4.558   8.939   8.939
  696   1HD   LYS  93           HD2      LYS  93   3.422  11.626  11.626
  697   2HD   LYS  93           HD1      LYS  93   4.756  11.317  11.317
  698   1HE   LYS  93           HE2      LYS  93   6.020  10.304  10.304
  699   2HE   LYS  93           HE1      LYS  93   4.712  10.773  10.773
  700   1HZ   LYS  93           HZ3      LYS  93   5.908  12.849  12.849
  701   2HZ   LYS  93           HZ2      LYS  93   6.807  12.289  12.289
  702   3HZ   LYS  93           HZ1      LYS  93   5.273  12.957  12.957
  703    H    VAL  94           HN       VAL  94   0.023   8.375   8.375
  704    HA   VAL  94           HA       VAL  94  -0.685   9.150   9.150
  705    HB   VAL  94           HB       VAL  94  -2.973   7.984   7.984
  706   1HG1  VAL  94          HG12      VAL  94  -2.106  10.581  10.581
  707   2HG1  VAL  94          HG11      VAL  94  -3.459  10.587  10.587
  708   3HG1  VAL  94          HG13      VAL  94  -3.544   9.619   9.619
  709   1HG2  VAL  94          HG21      VAL  94  -1.330   9.971   9.971
  710   2HG2  VAL  94          HG23      VAL  94  -1.668   8.303   8.303
  711   3HG2  VAL  94          HG22      VAL  94  -2.980   9.477   9.477
  712    H    LEU  95           HN       LEU  95  -1.557   6.078   6.078
  713    HA   LEU  95           HA       LEU  95  -2.488   4.910   4.910
  714   1HB   LEU  95           HB1      LEU  95  -2.709   2.861   2.861
  715   2HB   LEU  95           HB2      LEU  95  -3.386   4.229   4.229
  716    HG   LEU  95           HG       LEU  95  -0.761   4.088   4.088
  717   1HD1  LEU  95          HD13      LEU  95  -1.891   1.360   1.360
  718   2HD1  LEU  95          HD12      LEU  95  -0.792   1.661   1.661
  719   3HD1  LEU  95          HD11      LEU  95  -0.264   1.965   1.965
  720   1HD2  LEU  95          HD22      LEU  95  -3.242   4.293   4.293
  721   2HD2  LEU  95          HD21      LEU  95  -1.777   4.055   4.055
  722   3HD2  LEU  95          HD23      LEU  95  -2.791   2.673   2.673
  723    H    VAL  96           HN       VAL  96   0.532   4.858   4.858
  724    HA   VAL  96           HA       VAL  96   1.718   2.734   2.734
  725    HB   VAL  96           HB       VAL  96   2.872   4.846   4.846
  726   1HG1  VAL  96          HG13      VAL  96   4.280   2.835   2.835
  727   2HG1  VAL  96          HG12      VAL  96   4.952   3.295   3.295
  728   3HG1  VAL  96          HG11      VAL  96   4.694   4.519   4.519
  729   1HG2  VAL  96          HG22      VAL  96   1.537   2.992   2.992
  730   2HG2  VAL  96          HG21      VAL  96   3.214   3.021   3.021
  731   3HG2  VAL  96          HG23      VAL  96   2.702   1.852   1.852
  732    H    GLU  97           HN       GLU  97   2.073   6.272   6.272
  733    HA   GLU  97           HA       GLU  97   3.930   6.399   6.399
  734   1HB   GLU  97           HB2      GLU  97   3.417   8.702   8.702
  735   2HB   GLU  97           HB1      GLU  97   3.157   8.278   8.278
  736   1HG   GLU  97           HG2      GLU  97   0.971   8.459   8.459
  737   2HG   GLU  97           HG1      GLU  97   1.422   9.765   9.765
  738    H    HIS  98           HN       HIS  98   0.449   6.022   6.022
  739    HA   HIS  98           HA       HIS  98  -0.108   6.661   6.661
  740   1HB   HIS  98           HB1      HIS  98  -1.528   5.609   5.609
  741   2HB   HIS  98           HB2      HIS  98  -1.577   4.316   4.316
  742    HD2  HIS  98           HD2      HIS  98  -3.749   7.055   7.055
  743    HE1  HIS  98           HE1      HIS  98  -4.049   6.935   6.935
  744    HE2  HIS  98           HE2      HIS  98  -5.179   7.673   7.673
  745    H    GLY  99           HN       GLY  99   1.388   3.816   3.816
  746   1HA   GLY  99           HA2      GLY  99   2.945   2.734   2.734
  747   2HA   GLY  99           HA1      GLY  99   1.545   2.651   2.651
  748    H    ALA 100           HN       ALA 100   0.372   2.177   2.177
  749    HA   ALA 100           HA       ALA 100  -0.506  -0.372  -0.372
  750   1HB   ALA 100           HB2      ALA 100   0.343   0.984   0.984
  751   2HB   ALA 100           HB1      ALA 100  -0.606  -0.499  -0.499
  752   3HB   ALA 100           HB3      ALA 100  -1.261   0.999   0.999
  753    H    ASP 101           HN       ASP 101   0.153  -2.350  -2.350
  754    HA   ASP 101           HA       ASP 101   2.705  -3.202  -3.202
  755   1HB   ASP 101           HB2      ASP 101   0.985  -4.504  -4.504
  756   2HB   ASP 101           HB1      ASP 101   2.213  -5.277  -5.277
  757    H    VAL 102           HN       VAL 102   4.237  -1.769  -1.769
  758    HA   VAL 102           HA       VAL 102   4.501  -1.550  -1.550
  759    HB   VAL 102           HB       VAL 102   6.599  -0.443  -0.443
  760   1HG1  VAL 102          HG12      VAL 102   5.168   0.346   0.346
  761   2HG1  VAL 102          HG11      VAL 102   6.055   1.550   1.550
  762   3HG1  VAL 102          HG13      VAL 102   6.897   0.142   0.142
  763   1HG2  VAL 102          HG22      VAL 102   3.771   0.599   0.599
  764   2HG2  VAL 102          HG21      VAL 102   4.682   0.039   0.039
  765   3HG2  VAL 102          HG23      VAL 102   5.159   1.522   1.522
  766    H    ASN 103           HN       ASN 103   5.114  -4.009  -4.009
  767    HA   ASN 103           HA       ASN 103   7.648  -4.655  -4.655
  768   1HB   ASN 103           HB1      ASN 103   8.009  -6.099  -6.099
  769   2HB   ASN 103           HB2      ASN 103   8.520  -4.415  -4.415
  770   1HD2  ASN 103          HD22      ASN 103   6.269  -3.258  -3.258
  771   2HD2  ASN 103          HD21      ASN 103   7.422  -2.867  -2.867
  772    H    ALA 104           HN       ALA 104   4.555  -5.308  -5.308
  773    HA   ALA 104           HA       ALA 104   4.335  -8.091  -8.091
  774   1HB   ALA 104           HB2      ALA 104   2.645  -5.974  -5.974
  775   2HB   ALA 104           HB1      ALA 104   2.501  -7.302  -7.302
  776   3HB   ALA 104           HB3      ALA 104   2.197  -7.585  -7.585
  777    H    LEU 105           HN       LEU 105   4.534  -9.830  -9.830
  778    HA   LEU 105           HA       LEU 105   5.701  -9.281  -9.281
  779   1HB   LEU 105           HB2      LEU 105   6.327 -11.774 -11.774
  780   2HB   LEU 105           HB1      LEU 105   7.238 -11.009 -11.009
  781    HG   LEU 105           HG       LEU 105   7.001 -10.013 -10.013
  782   1HD1  LEU 105          HD12      LEU 105   8.601 -12.019 -12.019
  783   2HD1  LEU 105          HD11      LEU 105   9.647 -10.598 -10.598
  784   3HD1  LEU 105          HD13      LEU 105   8.878 -11.112 -11.112
  785   1HD2  LEU 105          HD22      LEU 105   8.107  -8.806  -8.806
  786   2HD2  LEU 105          HD21      LEU 105   7.280  -8.044  -8.044
  787   3HD2  LEU 105          HD23      LEU 105   8.963  -8.544  -8.544
  788    H    ASP 106           HN       ASP 106   5.191 -10.726 -10.726
  789    HA   ASP 106           HA       ASP 106   2.574 -11.907 -11.907
  790   1HB   ASP 106           HB2      ASP 106   4.363 -11.823 -11.823
  791   2HB   ASP 106           HB1      ASP 106   3.253 -10.532 -10.532
  792    H    SER 107           HN       SER 107   5.828 -12.994 -12.994
  793    HA   SER 107           HA       SER 107   5.597 -15.481 -15.481
  794   1HB   SER 107           HB1      SER 107   5.720 -16.132 -16.132
  795   2HB   SER 107           HB2      SER 107   4.848 -16.937 -16.937
  796    HG   SER 107           HG       SER 107   4.056 -14.730 -14.730
  797    H    THR 108           HN       THR 108   7.086 -13.572 -13.572
  798    HA   THR 108           HA       THR 108   9.560 -15.071 -15.071
  799    HB   THR 108           HB       THR 108   9.427 -12.422 -12.422
  800    HG1  THR 108           HG1      THR 108   7.832 -12.922 -12.922
  801   1HG2  THR 108          HG21      THR 108  11.182 -14.494 -14.494
  802   2HG2  THR 108          HG23      THR 108  10.161 -14.794 -14.794
  803   3HG2  THR 108          HG22      THR 108  10.989 -13.246 -13.246
  804    H    GLY 109           HN       GLY 109   8.220 -12.968 -12.968
  805   1HA   GLY 109           HA2      GLY 109   9.026 -11.549 -11.549
  806   2HA   GLY 109           HA1      GLY 109  10.494 -12.509 -12.509
  807    H    SER 110           HN       SER 110   9.498 -10.916 -10.916
  808    HA   SER 110           HA       SER 110  11.831  -9.562  -9.562
  809   1HB   SER 110           HB2      SER 110   9.363  -8.185  -8.185
  810   2HB   SER 110           HB1      SER 110  10.784  -8.675  -8.675
  811    HG   SER 110           HG       SER 110   8.573  -9.852  -9.852
  812    H    LEU 111           HN       LEU 111   8.894  -8.229  -8.229
  813    HA   LEU 111           HA       LEU 111   8.790  -6.722  -6.722
  814   1HB   LEU 111           HB1      LEU 111  11.398  -7.164  -7.164
  815   2HB   LEU 111           HB2      LEU 111  11.472  -5.577  -5.577
  816    HG   LEU 111           HG       LEU 111   9.986  -4.785  -4.785
  817   1HD1  LEU 111          HD21      LEU 111  10.641  -7.563  -7.563
  818   2HD1  LEU 111          HD23      LEU 111  10.520  -6.290  -6.290
  819   3HD1  LEU 111          HD22      LEU 111   9.141  -6.652  -6.652
  820   1HD2  LEU 111          HD13      LEU 111  12.556  -4.563  -4.563
  821   2HD2  LEU 111          HD12      LEU 111  11.839  -4.177  -4.177
  822   3HD2  LEU 111          HD11      LEU 111  12.642  -5.728  -5.728
  823    HA   PRO 112           HA       PRO 112   6.975  -3.676  -3.676
  824   1HB   PRO 112           HB2      PRO 112   7.244  -2.081  -2.081
  825   2HB   PRO 112           HB1      PRO 112   5.857  -2.247  -2.247
  826   1HG   PRO 112           HG1      PRO 112   5.956  -3.587  -3.587
  827   2HG   PRO 112           HG2      PRO 112   5.285  -4.333  -4.333
  828   1HD   PRO 112           HD2      PRO 112   7.875  -4.836  -4.836
  829   2HD   PRO 112           HD1      PRO 112   6.876  -5.936  -5.936
  830    H    ILE 113           HN       ILE 113   9.532  -2.612  -2.612
  831    HA   ILE 113           HA       ILE 113  10.295  -0.343  -0.343
  832    HB   ILE 113           HB       ILE 113  10.944  -0.560  -0.560
  833   1HG1  ILE 113          HG12      ILE 113  12.889  -0.113  -0.113
  834   2HG1  ILE 113          HG11      ILE 113  12.509   0.885   0.885
  835   1HG2  ILE 113          HG22      ILE 113  11.242  -3.087  -3.087
  836   2HG2  ILE 113          HG21      ILE 113  12.882  -2.731  -2.731
  837   3HG2  ILE 113          HG23      ILE 113  12.350  -2.219  -2.219
  838   1HD1  ILE 113          HD13      ILE 113  13.938  -0.564  -0.564
  839   2HD1  ILE 113          HD12      ILE 113  14.367  -1.477  -1.477
  840   3HD1  ILE 113          HD11      ILE 113  14.812   0.225   0.225
  841    H    HIS 114           HN       HIS 114  11.187  -3.718  -3.718
  842    HA   HIS 114           HA       HIS 114  13.477  -3.326  -3.326
  843   1HB   HIS 114           HB1      HIS 114  11.715  -5.699  -5.699
  844   2HB   HIS 114           HB2      HIS 114  13.046  -5.790  -5.790
  845    HD2  HIS 114           HD2      HIS 114  15.053  -7.021  -7.021
  846    HE1  HIS 114           HE1      HIS 114  14.670  -5.060  -5.060
  847    HE2  HIS 114           HE2      HIS 114  15.908  -6.858  -6.858
  848    H    LEU 115           HN       LEU 115  10.051  -3.709  -3.709
  849    HA   LEU 115           HA       LEU 115  10.217  -4.183  -4.183
  850   1HB   LEU 115           HB2      LEU 115   7.934  -2.618  -2.618
  851   2HB   LEU 115           HB1      LEU 115   7.931  -3.946  -3.946
  852    HG   LEU 115           HG       LEU 115   8.248  -4.140  -4.140
  853   1HD1  LEU 115          HD12      LEU 115   5.991  -4.143  -4.143
  854   2HD1  LEU 115          HD11      LEU 115   6.184  -5.763  -5.763
  855   3HD1  LEU 115          HD13      LEU 115   6.046  -4.374  -4.374
  856   1HD2  LEU 115          HD22      LEU 115   9.687  -5.743  -5.743
  857   2HD2  LEU 115          HD21      LEU 115   8.486  -6.492  -6.492
  858   3HD2  LEU 115          HD23      LEU 115   8.205  -6.410  -6.410
  859    H    ALA 116           HN       ALA 116   9.635  -1.166  -1.166
  860    HA   ALA 116           HA       ALA 116   9.527   0.581   0.581
  861   1HB   ALA 116           HB2      ALA 116   9.364   0.872   0.872
  862   2HB   ALA 116           HB1      ALA 116  10.946   1.591   1.591
  863   3HB   ALA 116           HB3      ALA 116   9.519   2.219   2.219
  864    H    ILE 117           HN       ILE 117  12.306  -0.814  -0.814
  865    HA   ILE 117           HA       ILE 117  14.312   0.789   0.789
  866    HB   ILE 117           HB       ILE 117  14.382  -2.057  -2.057
  867   1HG1  ILE 117          HG12      ILE 117  15.525   0.486   0.486
  868   2HG1  ILE 117          HG11      ILE 117  13.979  -0.215  -0.215
  869   1HG2  ILE 117          HG22      ILE 117  16.340  -0.642  -0.642
  870   2HG2  ILE 117          HG21      ILE 117  16.984  -1.070  -1.070
  871   3HG2  ILE 117          HG23      ILE 117  16.326  -2.322  -2.322
  872   1HD1  ILE 117          HD13      ILE 117  15.428  -2.337  -2.337
  873   2HD1  ILE 117          HD12      ILE 117  16.740  -1.163  -1.163
  874   3HD1  ILE 117          HD11      ILE 117  15.351  -1.021  -1.021
  875    H    ARG 118           HN       ARG 118  12.774  -2.201  -2.201
  876    HA   ARG 118           HA       ARG 118  14.428  -2.538  -2.538
  877   1HB   ARG 118           HB2      ARG 118  11.655  -3.584  -3.584
  878   2HB   ARG 118           HB1      ARG 118  13.172  -4.391  -4.391
  879   1HG   ARG 118           HG1      ARG 118  13.467  -4.076  -4.076
  880   2HG   ARG 118           HG2      ARG 118  11.708  -4.180  -4.180
  881   1HD   ARG 118           HD2      ARG 118  13.738  -6.246  -6.246
  882   2HD   ARG 118           HD1      ARG 118  12.037  -6.395  -6.395
  883    HE   ARG 118           HE       ARG 118  13.161  -6.760  -6.760
  884   1HH1  ARG 118          HH21      ARG 118  10.349  -5.495  -5.495
  885   2HH1  ARG 118          HH22      ARG 118   9.293  -5.762  -5.762
  886   1HH2  ARG 118          HH11      ARG 118  11.779  -7.114  -7.114
  887   2HH2  ARG 118          HH12      ARG 118  10.106  -6.683  -6.683
  888    H    GLU 119           HN       GLU 119  12.003  -0.326  -0.326
  889    HA   GLU 119           HA       GLU 119  11.176   0.071   0.071
  890   1HB   GLU 119           HB1      GLU 119  10.370   1.662   1.662
  891   2HB   GLU 119           HB2      GLU 119   9.567   1.630   1.630
  892   1HG   GLU 119           HG1      GLU 119   9.707  -1.030  -1.030
  893   2HG   GLU 119           HG2      GLU 119   9.095   0.002   0.002
  894    H    GLY 120           HN       GLY 120  12.519   2.106   2.106
  895   1HA   GLY 120           HA2      GLY 120  14.614   3.312   3.312
  896   2HA   GLY 120           HA1      GLY 120  13.873   3.675   3.675
  897    H    HIS 121           HN       HIS 121  11.307   3.962   3.962
  898    HA   HIS 121           HA       HIS 121  11.200   6.746   6.746
  899   1HB   HIS 121           HB2      HIS 121   9.634   5.071   5.071
  900   2HB   HIS 121           HB1      HIS 121   9.147   6.564   6.564
  901    HD2  HIS 121           HD2      HIS 121   8.977   2.782   2.782
  902    HE1  HIS 121           HE1      HIS 121   7.575   4.610   4.610
  903    HE2  HIS 121           HE2      HIS 121   7.636   2.467   2.467
  904    H    SER 122           HN       SER 122  13.280   7.315   7.315
  905    HA   SER 122           HA       SER 122  14.357   6.830   6.830
  906   1HB   SER 122           HB2      SER 122  15.024   9.298   9.298
  907   2HB   SER 122           HB1      SER 122  15.457   8.401   8.401
  908    HG   SER 122           HG       SER 122  14.346  10.581  10.581
  909    H    SER 123           HN       SER 123  11.640   9.043   9.043
  910    HA   SER 123           HA       SER 123  11.352  10.001  10.001
  911   1HB   SER 123           HB1      SER 123   9.140  10.677  10.677
  912   2HB   SER 123           HB2      SER 123  10.156  10.828  10.828
  913    HG   SER 123           HG       SER 123   8.131   9.787   9.787
  914    H    VAL 124           HN       VAL 124   9.728   7.216   7.216
  915    HA   VAL 124           HA       VAL 124   8.415   6.430   6.430
  916    HB   VAL 124           HB       VAL 124   8.846   5.012   5.012
  917   1HG1  VAL 124          HG11      VAL 124   8.747   3.360   3.360
  918   2HG1  VAL 124          HG13      VAL 124   7.210   4.050   4.050
  919   3HG1  VAL 124          HG12      VAL 124   7.336   3.276   3.276
  920   1HG2  VAL 124          HG21      VAL 124   7.285   6.994   6.994
  921   2HG2  VAL 124          HG23      VAL 124   6.577   5.503   5.503
  922   3HG2  VAL 124          HG22      VAL 124   6.284   5.991   5.991
  923    H    VAL 125           HN       VAL 125  11.032   4.847   4.847
  924    HA   VAL 125           HA       VAL 125  11.631   2.847   2.847
  925    HB   VAL 125           HB       VAL 125  13.852   4.229   4.229
  926   1HG1  VAL 125          HG12      VAL 125  14.088   2.144   2.144
  927   2HG1  VAL 125          HG11      VAL 125  13.281   1.291   1.291
  928   3HG1  VAL 125          HG13      VAL 125  14.816   2.109   2.109
  929   1HG2  VAL 125          HG23      VAL 125  11.511   2.800   2.800
  930   2HG2  VAL 125          HG22      VAL 125  12.329   4.263   4.263
  931   3HG2  VAL 125          HG21      VAL 125  13.096   2.691   2.691
  932    H    SER 126           HN       SER 126  12.813   6.187   6.187
  933    HA   SER 126           HA       SER 126  14.646   5.877   5.877
  934   1HB   SER 126           HB2      SER 126  14.792   8.275   8.275
  935   2HB   SER 126           HB1      SER 126  14.648   7.767   7.767
  936    HG   SER 126           HG       SER 126  12.399   8.508   8.508
  937    H    PHE 127           HN       PHE 127  11.261   6.713   6.713
  938    HA   PHE 127           HA       PHE 127  11.015   7.412   7.412
  939   1HB   PHE 127           HB1      PHE 127   9.416   8.341   8.341
  940   2HB   PHE 127           HB2      PHE 127   8.976   6.748   6.748
  941    HD1  PHE 127           HD1      PHE 127   8.950   8.797   8.797
  942    HD2  PHE 127           HD2      PHE 127   7.153   5.629   5.629
  943    HE1  PHE 127           HE1      PHE 127   7.134   8.668   8.668
  944    HE2  PHE 127           HE2      PHE 127   5.332   5.497   5.497
  945    HZ   PHE 127           HZ       PHE 127   5.321   7.017   7.017
  946    H    LEU 128           HN       LEU 128  10.271   4.522   4.522
  947    HA   LEU 128           HA       LEU 128   9.225   3.033   3.033
  948   1HB   LEU 128           HB1      LEU 128   9.588   2.679   2.679
  949   2HB   LEU 128           HB2      LEU 128  10.279   1.291   1.291
  950    HG   LEU 128           HG       LEU 128   7.831   1.144   1.144
  951   1HD1  LEU 128          HD12      LEU 128   8.904  -0.434  -0.434
  952   2HD1  LEU 128          HD11      LEU 128   8.527   0.628   0.628
  953   3HD1  LEU 128          HD13      LEU 128   7.224  -0.136  -0.136
  954   1HD2  LEU 128          HD22      LEU 128   7.589   3.526   3.526
  955   2HD2  LEU 128          HD21      LEU 128   6.250   2.431   2.431
  956   3HD2  LEU 128          HD23      LEU 128   7.024   2.407   2.407
  957    H    ALA 129           HN       ALA 129  12.362   3.957   3.957
  958    HA   ALA 129           HA       ALA 129  13.936   1.763   1.763
  959   1HB   ALA 129           HB3      ALA 129  14.304   4.693   4.693
  960   2HB   ALA 129           HB2      ALA 129  15.457   3.696   3.696
  961   3HB   ALA 129           HB1      ALA 129  15.249   3.473   3.473
  962    HA   PRO 130           HA       PRO 130  13.973   2.768   2.768
  963   1HB   PRO 130           HB2      PRO 130  12.751   4.986   4.986
  964   2HB   PRO 130           HB1      PRO 130  14.391   5.020   5.020
  965   1HG   PRO 130           HG1      PRO 130  11.802   5.768   5.768
  966   2HG   PRO 130           HG2      PRO 130  13.361   6.610   6.610
  967   1HD   PRO 130           HD2      PRO 130  12.483   4.995   4.995
  968   2HD   PRO 130           HD1      PRO 130  14.202   5.225   5.225
  969    H    GLU 131           HN       GLU 131  10.900   4.153   4.153
  970    HA   GLU 131           HA       GLU 131   9.142   3.419   3.419
  971   1HB   GLU 131           HB1      GLU 131   8.707   3.052   3.052
  972   2HB   GLU 131           HB2      GLU 131   7.438   3.156   3.156
  973   1HG   GLU 131           HG2      GLU 131   9.343   5.394   5.394
  974   2HG   GLU 131           HG1      GLU 131   8.321   5.240   5.240
  975    H    SER 132           HN       SER 132  10.429   1.251   1.251
  976    HA   SER 132           HA       SER 132   9.039  -1.016  -1.016
  977   1HB   SER 132           HB1      SER 132   9.256  -0.654  -0.654
  978   2HB   SER 132           HB2      SER 132  10.956  -1.091  -1.091
  979    HG   SER 132           HG       SER 132   9.818  -2.937  -2.937
  980    H    ASP 133           HN       ASP 133   9.961  -2.551  -2.551
  981    HA   ASP 133           HA       ASP 133  12.148  -2.195  -2.195
  982   1HB   ASP 133           HB1      ASP 133  12.277  -4.663  -4.663
  983   2HB   ASP 133           HB2      ASP 133  11.196  -4.838  -4.838
  984    H    LEU 134           HN       LEU 134  14.024  -1.412  -1.412
  985    HA   LEU 134           HA       LEU 134  15.210  -2.158  -2.158
  986   1HB   LEU 134           HB1      LEU 134  16.467  -0.985  -0.985
  987   2HB   LEU 134           HB2      LEU 134  17.216  -1.047  -1.047
  988    HG   LEU 134           HG       LEU 134  15.113   0.299   0.299
  989   1HD1  LEU 134          HD23      LEU 134  14.791   0.186   0.186
  990   2HD1  LEU 134          HD22      LEU 134  14.856   1.843   1.843
  991   3HD1  LEU 134          HD21      LEU 134  13.662   0.719   0.719
  992   1HD2  LEU 134          HD13      LEU 134  17.495   1.315   1.315
  993   2HD2  LEU 134          HD12      LEU 134  17.182   1.332   1.332
  994   3HD2  LEU 134          HD11      LEU 134  16.300   2.425   2.425
  995    H    HIS 135           HN       HIS 135  15.560  -3.387  -3.387
  996    HA   HIS 135           HA       HIS 135  17.829  -4.997  -4.997
  997   1HB   HIS 135           HB1      HIS 135  17.012  -4.416  -4.416
  998   2HB   HIS 135           HB2      HIS 135  15.566  -5.384  -5.384
  999    HD2  HIS 135           HD2      HIS 135  16.250  -7.062  -7.062
 1000    HE1  HIS 135           HE1      HIS 135  19.629  -8.697  -8.697
 1001    HE2  HIS 135           HE2      HIS 135  18.163  -8.811  -8.811
 1002    H    HIS 136           HN       HIS 136  14.410  -5.538  -5.538
 1003    HA   HIS 136           HA       HIS 136  14.296  -8.274  -8.274
 1004   1HB   HIS 136           HB1      HIS 136  12.420  -6.536  -6.536
 1005   2HB   HIS 136           HB2      HIS 136  12.907  -6.430  -6.430
 1006    HD2  HIS 136           HD2      HIS 136  12.400  -8.716  -8.716
 1007    HE1  HIS 136           HE1      HIS 136   9.923 -10.510 -10.510
 1008    HE2  HIS 136           HE2      HIS 136  10.837 -10.707 -10.707
 1009    H    ARG 137           HN       ARG 137  14.363  -9.669  -9.669
 1010    HA   ARG 137           HA       ARG 137  16.336  -8.779  -8.779
 1011   1HB   ARG 137           HB1      ARG 137  15.982 -11.347 -11.347
 1012   2HB   ARG 137           HB2      ARG 137  16.573 -11.425 -11.425
 1013   1HG   ARG 137           HG2      ARG 137  18.310  -9.693  -9.693
 1014   2HG   ARG 137           HG1      ARG 137  17.846 -10.145 -10.145
 1015   1HD   ARG 137           HD2      ARG 137  18.330 -12.446 -12.446
 1016   2HD   ARG 137           HD1      ARG 137  19.741 -11.401 -11.401
 1017    HE   ARG 137           HE       ARG 137  18.968 -11.672 -11.672
 1018   1HH1  ARG 137          HH11      ARG 137  19.452 -14.003 -14.003
 1019   2HH1  ARG 137          HH12      ARG 137  19.916 -15.277 -15.277
 1020   1HH2  ARG 137          HH21      ARG 137  19.576 -13.342 -13.342
 1021   2HH2  ARG 137          HH22      ARG 137  19.984 -14.900 -14.900
 1022    H    ASP 138           HN       ASP 138  16.077  -9.429  -9.429
 1023    HA   ASP 138           HA       ASP 138  13.412  -9.460  -9.460
 1024   1HB   ASP 138           HB2      ASP 138  15.385  -8.549  -8.549
 1025   2HB   ASP 138           HB1      ASP 138  15.909 -10.207 -10.207
 1026    H    ALA 139           HN       ALA 139  15.291 -11.913 -11.913
 1027    HA   ALA 139           HA       ALA 139  14.732 -14.122 -14.122
 1028   1HB   ALA 139           HB2      ALA 139  12.359 -13.228 -13.228
 1029   2HB   ALA 139           HB1      ALA 139  12.744 -14.196 -14.196
 1030   3HB   ALA 139           HB3      ALA 139  12.699 -14.950 -14.950
 1031    H    SER 140           HN       SER 140  15.847 -12.641 -12.641
 1032    HA   SER 140           HA       SER 140  16.675 -15.199 -15.199
 1033   1HB   SER 140           HB2      SER 140  15.242 -13.214 -13.214
 1034   2HB   SER 140           HB1      SER 140  16.895 -12.801 -12.801
 1035    HG   SER 140           HG       SER 140  16.882 -14.427 -14.427
 1036    H    GLY 141           HN       GLY 141  17.672 -12.388 -12.388
 1037   1HA   GLY 141           HA2      GLY 141  19.930 -12.322 -12.322
 1038   2HA   GLY 141           HA1      GLY 141  20.479 -13.004 -13.004
 1039    H    LEU 142           HN       LEU 142  18.335 -10.259 -10.259
 1040    HA   LEU 142           HA       LEU 142  20.309  -8.386  -8.386
 1041   1HB   LEU 142           HB1      LEU 142  17.658  -8.810  -8.810
 1042   2HB   LEU 142           HB2      LEU 142  18.691  -7.420  -7.420
 1043    HG   LEU 142           HG       LEU 142  19.433 -10.286 -10.286
 1044   1HD1  LEU 142          HD11      LEU 142  17.720  -9.434  -9.434
 1045   2HD1  LEU 142          HD13      LEU 142  18.715  -8.016  -8.016
 1046   3HD1  LEU 142          HD12      LEU 142  19.267  -9.618  -9.618
 1047   1HD2  LEU 142          HD22      LEU 142  21.329  -8.820  -8.820
 1048   2HD2  LEU 142          HD21      LEU 142  21.419  -9.400  -9.400
 1049   3HD2  LEU 142          HD23      LEU 142  20.902  -7.747  -7.747
 1050    H    THR 143           HN       THR 143  20.256  -7.373  -7.373
 1051    HA   THR 143           HA       THR 143  17.854  -6.621  -6.621
 1052    HB   THR 143           HB       THR 143  19.952  -4.917  -4.917
 1053    HG1  THR 143           HG1      THR 143  20.907  -7.558  -7.558
 1054   1HG2  THR 143          HG22      THR 143  18.417  -7.143  -7.143
 1055   2HG2  THR 143          HG21      THR 143  20.045  -7.005  -7.005
 1056   3HG2  THR 143          HG23      THR 143  18.935  -5.638  -5.638
 1057    HA   PRO 144           HA       PRO 144  16.628  -2.614  -2.614
 1058   1HB   PRO 144           HB2      PRO 144  18.183  -1.261  -1.261
 1059   2HB   PRO 144           HB1      PRO 144  16.495  -1.045  -1.045
 1060   1HG   PRO 144           HG2      PRO 144  17.117  -2.438  -2.438
 1061   2HG   PRO 144           HG1      PRO 144  15.800  -2.961  -2.961
 1062   1HD   PRO 144           HD2      PRO 144  18.548  -4.074  -4.074
 1063   2HD   PRO 144           HD1      PRO 144  17.026  -4.908  -4.908
 1064    H    LEU 145           HN       LEU 145  19.984  -2.324  -2.324
 1065    HA   LEU 145           HA       LEU 145  20.683  -0.391  -0.391
 1066   1HB   LEU 145           HB2      LEU 145  21.972  -1.729  -1.729
 1067   2HB   LEU 145           HB1      LEU 145  23.060  -1.458  -1.458
 1068    HG   LEU 145           HG       LEU 145  21.612   0.561   0.561
 1069   1HD1  LEU 145          HD13      LEU 145  23.909  -0.274  -0.274
 1070   2HD1  LEU 145          HD12      LEU 145  24.475   0.464   0.464
 1071   3HD1  LEU 145          HD11      LEU 145  23.778   1.469   1.469
 1072   1HD2  LEU 145          HD22      LEU 145  22.655   0.903   0.903
 1073   2HD2  LEU 145          HD21      LEU 145  21.091   1.378   1.378
 1074   3HD2  LEU 145          HD23      LEU 145  22.548   2.252   2.252
 1075    H    GLU 146           HN       GLU 146  20.979  -3.876  -3.876
 1076    HA   GLU 146           HA       GLU 146  22.799  -4.420  -4.420
 1077   1HB   GLU 146           HB2      GLU 146  20.464  -5.898  -5.898
 1078   2HB   GLU 146           HB1      GLU 146  21.224  -6.523  -6.523
 1079   1HG   GLU 146           HG2      GLU 146  22.826  -5.870  -5.870
 1080   2HG   GLU 146           HG1      GLU 146  22.014  -7.423  -7.423
 1081    H    LEU 147           HN       LEU 147  19.245  -4.469  -4.469
 1082    HA   LEU 147           HA       LEU 147  19.188  -4.660  -4.660
 1083   1HB   LEU 147           HB2      LEU 147  17.315  -4.395  -4.395
 1084   2HB   LEU 147           HB1      LEU 147  17.063  -2.970  -2.970
 1085    HG   LEU 147           HG       LEU 147  16.606  -4.303  -4.303
 1086   1HD1  LEU 147          HD23      LEU 147  17.561  -6.579  -6.579
 1087   2HD1  LEU 147          HD22      LEU 147  16.542  -6.840  -6.840
 1088   3HD1  LEU 147          HD21      LEU 147  18.124  -6.081  -6.081
 1089   1HD2  LEU 147          HD11      LEU 147  15.050  -4.340  -4.340
 1090   2HD2  LEU 147          HD13      LEU 147  14.515  -4.620  -4.620
 1091   3HD2  LEU 147          HD12      LEU 147  14.992  -5.981  -5.981
 1092    H    ALA 148           HN       ALA 148  19.119  -1.754  -1.754
 1093    HA   ALA 148           HA       ALA 148  18.947   0.148   0.148
 1094   1HB   ALA 148           HB2      ALA 148  18.795   0.450   0.450
 1095   2HB   ALA 148           HB1      ALA 148  20.549   0.628   0.628
 1096   3HB   ALA 148           HB3      ALA 148  19.516   1.746   1.746
 1097    H    ARG 149           HN       ARG 149  21.711  -1.568  -1.568
 1098    HA   ARG 149           HA       ARG 149  23.699  -0.055  -0.055
 1099   1HB   ARG 149           HB2      ARG 149  24.020  -1.554  -1.554
 1100   2HB   ARG 149           HB1      ARG 149  23.987  -2.911  -2.911
 1101   1HG   ARG 149           HG2      ARG 149  26.031  -2.433  -2.433
 1102   2HG   ARG 149           HG1      ARG 149  25.859  -0.696  -0.696
 1103   1HD   ARG 149           HD2      ARG 149  26.864  -0.800  -0.800
 1104   2HD   ARG 149           HD1      ARG 149  25.894  -2.184  -2.184
 1105    HE   ARG 149           HE       ARG 149  28.559  -2.232  -2.232
 1106   1HH1  ARG 149          HH21      ARG 149  25.602  -4.042  -4.042
 1107   2HH1  ARG 149          HH22      ARG 149  26.378  -5.583  -5.583
 1108   1HH2  ARG 149          HH11      ARG 149  29.593  -4.259  -4.259
 1109   2HH2  ARG 149          HH12      ARG 149  28.647  -5.708  -5.708
 1110    H    GLN 150           HN       GLN 150  22.023  -3.102  -3.102
 1111    HA   GLN 150           HA       GLN 150  23.394  -3.639  -3.639
 1112   1HB   GLN 150           HB2      GLN 150  22.443  -5.509  -5.509
 1113   2HB   GLN 150           HB1      GLN 150  20.875  -4.725  -4.725
 1114   1HG   GLN 150           HG2      GLN 150  20.755  -4.811  -4.811
 1115   2HG   GLN 150           HG1      GLN 150  22.159  -5.873  -5.873
 1116   1HE2  GLN 150          HE22      GLN 150  20.387  -8.582  -8.582
 1117   2HE2  GLN 150          HE21      GLN 150  21.911  -7.769  -7.769
 1118    H    ARG 151           HN       ARG 151  19.888  -3.425  -3.425
 1119    HA   ARG 151           HA       ARG 151  19.780  -2.086  -2.086
 1120   1HB   ARG 151           HB2      ARG 151  17.486  -2.489  -2.489
 1121   2HB   ARG 151           HB1      ARG 151  17.410  -2.285  -2.285
 1122   1HG   ARG 151           HG2      ARG 151  18.147  -4.446  -4.446
 1123   2HG   ARG 151           HG1      ARG 151  18.845  -4.620  -4.620
 1124   1HD   ARG 151           HD1      ARG 151  16.691  -4.792  -4.792
 1125   2HD   ARG 151           HD2      ARG 151  15.890  -4.334  -4.334
 1126    HE   ARG 151           HE       ARG 151  16.969  -6.938  -6.938
 1127   1HH1  ARG 151          HH11      ARG 151  15.726  -4.835  -4.835
 1128   2HH1  ARG 151          HH12      ARG 151  15.325  -6.130  -6.130
 1129   1HH2  ARG 151          HH21      ARG 151  16.444  -8.651  -8.651
 1130   2HH2  ARG 151          HH22      ARG 151  15.733  -8.300  -8.300
 1131    H    GLY 152           HN       GLY 152  21.257  -0.408  -0.408
 1132   1HA   GLY 152           HA1      GLY 152  20.104   1.481   1.481
 1133   2HA   GLY 152           HA2      GLY 152  21.423   1.814   1.814
 1134    H    ALA 153           HN       ALA 153  19.547   0.936   0.936
 1135    HA   ALA 153           HA       ALA 153  18.536   2.239   2.239
 1136   1HB   ALA 153           HB2      ALA 153  16.757   1.133   1.133
 1137   2HB   ALA 153           HB1      ALA 153  16.525   2.725   2.725
 1138   3HB   ALA 153           HB3      ALA 153  16.238   2.491   2.491
 1139    H    GLN 154           HN       GLN 154  20.425   3.709   3.709
 1140    HA   GLN 154           HA       GLN 154  20.918   6.048   6.048
 1141   1HB   GLN 154           HB1      GLN 154  19.383   7.791   7.791
 1142   2HB   GLN 154           HB2      GLN 154  18.530   6.672   6.672
 1143   1HG   GLN 154           HG2      GLN 154  16.970   6.881   6.881
 1144   2HG   GLN 154           HG1      GLN 154  17.899   5.556   5.556
 1145   1HE2  GLN 154          HE22      GLN 154  18.193   7.303   7.303
 1146   2HE2  GLN 154          HE21      GLN 154  17.764   5.862   5.862
 1147    H    ASN 155           HN       ASN 155  20.373   7.817   7.817
 1148    HA   ASN 155           HA       ASN 155  22.301   6.688   6.688
 1149   1HB   ASN 155           HB2      ASN 155  21.410   9.258   9.258
 1150   2HB   ASN 155           HB1      ASN 155  20.875   8.990   8.990
 1151   1HD2  ASN 155          HD22      ASN 155  23.992  10.057  10.057
 1152   2HD2  ASN 155          HD21      ASN 155  22.280  10.287  10.287
 1153    H    LEU 156           HN       LEU 156  20.189   4.900   4.900
 1154    HA   LEU 156           HA       LEU 156  18.291   5.346   5.346
 1155   1HB   LEU 156           HB2      LEU 156  19.184   2.970   2.970
 1156   2HB   LEU 156           HB1      LEU 156  18.240   2.712   2.712
 1157    HG   LEU 156           HG       LEU 156  17.396   4.169   4.169
 1158   1HD1  LEU 156          HD12      LEU 156  16.345   1.731   1.731
 1159   2HD1  LEU 156          HD11      LEU 156  15.608   2.483   2.483
 1160   3HD1  LEU 156          HD13      LEU 156  17.213   1.762   1.762
 1161   1HD2  LEU 156          HD22      LEU 156  16.569   4.624   4.624
 1162   2HD2  LEU 156          HD21      LEU 156  16.056   5.439   5.439
 1163   3HD2  LEU 156          HD23      LEU 156  15.233   3.972   3.972
 1164    H    MET 157           HN       MET 157  21.261   3.411   3.411
 1165    HA   MET 157           HA       MET 157  21.283   2.380   2.380
 1166   1HB   MET 157           HB1      MET 157  23.423   1.742   1.742
 1167   2HB   MET 157           HB2      MET 157  22.895   2.151   2.151
 1168   1HG   MET 157           HG2      MET 157  23.961   4.291   4.291
 1169   2HG   MET 157           HG1      MET 157  24.394   4.023   4.023
 1170   1HE   MET 157           HE2      MET 157  25.236   1.560   1.560
 1171   2HE   MET 157           HE1      MET 157  26.576   0.818   0.818
 1172   3HE   MET 157           HE3      MET 157  26.850   2.263   2.263
 1173    H    ASP 158           HN       ASP 158  21.859   5.603   5.603
 1174    HA   ASP 158           HA       ASP 158  23.172   6.526   6.526
 1175   1HB   ASP 158           HB2      ASP 158  23.111   7.546   7.546
 1176   2HB   ASP 158           HB1      ASP 158  21.692   8.383   8.383
 1177    H    ILE 159           HN       ILE 159  19.928   7.155   7.155
 1178    HA   ILE 159           HA       ILE 159  18.880   8.507   8.507
 1179    HB   ILE 159           HB       ILE 159  16.779   6.855   6.855
 1180   1HG1  ILE 159          HG12      ILE 159  18.302   7.980   7.980
 1181   2HG1  ILE 159          HG11      ILE 159  18.437   6.295   6.295
 1182   1HG2  ILE 159          HG22      ILE 159  17.586   9.688   9.688
 1183   2HG2  ILE 159          HG21      ILE 159  16.045   8.988   8.988
 1184   3HG2  ILE 159          HG23      ILE 159  16.447   9.117   9.117
 1185   1HD1  ILE 159          HD13      ILE 159  15.900   7.666   7.666
 1186   2HD1  ILE 159          HD12      ILE 159  16.866   6.573   6.573
 1187   3HD1  ILE 159          HD11      ILE 159  16.066   5.973   5.973
 1188    H    LEU 160           HN       LEU 160  19.198   5.047   5.047
 1189    HA   LEU 160           HA       LEU 160  17.753   4.288   4.288
 1190   1HB   LEU 160           HB2      LEU 160  19.627   2.776   2.776
 1191   2HB   LEU 160           HB1      LEU 160  18.770   2.046   2.046
 1192    HG   LEU 160           HG       LEU 160  17.857   2.027   2.027
 1193   1HD1  LEU 160          HD13      LEU 160  16.808   1.551   1.551
 1194   2HD1  LEU 160          HD12      LEU 160  15.542   2.251   2.251
 1195   3HD1  LEU 160          HD11      LEU 160  16.372   0.784   0.784
 1196   1HD2  LEU 160          HD23      LEU 160  16.602   4.465   4.465
 1197   2HD2  LEU 160          HD22      LEU 160  17.658   4.433   4.433
 1198   3HD2  LEU 160          HD21      LEU 160  16.069   3.670   3.670
 1199    H    GLN 161           HN       GLN 161  20.987   5.243   5.243
 1200    HA   GLN 161           HA       GLN 161  22.231   4.027   4.027
 1201   1HB   GLN 161           HB1      GLN 161  23.025   5.611   5.611
 1202   2HB   GLN 161           HB2      GLN 161  23.717   6.295   6.295
 1203   1HG   GLN 161           HG1      GLN 161  23.924   3.363   3.363
 1204   2HG   GLN 161           HG2      GLN 161  24.953   4.430   4.430
 1205   1HE2  GLN 161          HE22      GLN 161  25.406   4.742   4.742
 1206   2HE2  GLN 161          HE21      GLN 161  23.832   4.716   4.716
 1207    H    GLY 162           HN       GLY 162  21.083   7.316   7.316
 1208   1HA   GLY 162           HA1      GLY 162  21.815   8.405   8.405
 1209   2HA   GLY 162           HA2      GLY 162  20.668   9.106   9.106
 1210    H    HIS 163           HN       HIS 163  18.684   7.262   7.262
 1211    HA   HIS 163           HA       HIS 163  17.325   7.715   7.715
 1212   1HB   HIS 163           HB1      HIS 163  16.496   5.922   5.922
 1213   2HB   HIS 163           HB2      HIS 163  15.448   6.575   6.575
 1214    HD2  HIS 163           HD2      HIS 163  15.875   7.223   7.223
 1215    HE1  HIS 163           HE1      HIS 163  15.573  11.100  11.100
 1216    HE2  HIS 163           HE2      HIS 163  15.637   9.760   9.760
 1217    H    MET 164           HN       MET 164  19.545   5.398   5.398
 1218    HA   MET 164           HA       MET 164  18.424   3.147   3.147
 1219   1HB   MET 164           HB2      MET 164  20.776   3.696   3.696
 1220   2HB   MET 164           HB1      MET 164  21.149   2.678   2.678
 1221   1HG   MET 164           HG1      MET 164  18.788   2.012   2.012
 1222   2HG   MET 164           HG2      MET 164  20.403   1.639   1.639
 1223   1HE   MET 164           HE2      MET 164  20.171  -0.468  -0.468
 1224   2HE   MET 164           HE1      MET 164  21.091  -1.414  -1.414
 1225   3HE   MET 164           HE3      MET 164  19.355  -1.674  -1.674
 1226    H    MET 165           HN       MET 165  19.175   2.234   2.234
 1227    HA   MET 165           HA       MET 165  20.740   4.042   4.042
 1228   1HB   MET 165           HB1      MET 165  19.286   3.291   3.291
 1229   2HB   MET 165           HB2      MET 165  18.474   4.298   4.298
 1230   1HG   MET 165           HG2      MET 165  17.757   2.041   2.041
 1231   2HG   MET 165           HG1      MET 165  18.163   1.379   1.379
 1232   1HE   MET 165           HE1      MET 165  15.926   3.615   3.615
 1233   2HE   MET 165           HE3      MET 165  14.758   4.297   4.297
 1234   3HE   MET 165           HE2      MET 165  16.417   4.894   4.894
 1235    H    ILE 166           HN       ILE 166  22.136   3.079   3.079
 1236    HA   ILE 166           HA       ILE 166  22.296   0.148   0.148
 1237    HB   ILE 166           HB       ILE 166  24.933   1.380   1.380
 1238   1HG1  ILE 166          HG11      ILE 166  23.308   1.618   1.618
 1239   2HG1  ILE 166          HG12      ILE 166  23.875   2.964   2.964
 1240   1HG2  ILE 166          HG22      ILE 166  24.391  -1.040  -1.040
 1241   2HG2  ILE 166          HG21      ILE 166  23.779  -0.705  -0.705
 1242   3HG2  ILE 166          HG23      ILE 166  25.480  -0.429  -0.429
 1243   1HD1  ILE 166          HD13      ILE 166  26.058   1.239   1.239
 1244   2HD1  ILE 166          HD12      ILE 166  25.173   1.792   1.792
 1245   3HD1  ILE 166          HD11      ILE 166  25.838   2.965   2.965
 1246    HA   PRO 167           HA       PRO 167  22.448   2.076   2.076
 1247   1HB   PRO 167           HB2      PRO 167  20.910  -0.419  -0.419
 1248   2HB   PRO 167           HB1      PRO 167  20.610   1.219   1.219
 1249   1HG   PRO 167           HG1      PRO 167  19.108   0.162   0.162
 1250   2HG   PRO 167           HG2      PRO 167  19.570   1.874   1.874
 1251   1HD   PRO 167           HD2      PRO 167  20.671  -0.418  -0.418
 1252   2HD   PRO 167           HD1      PRO 167  20.378   1.259   1.259
 1253    H    MET 168           HN       MET 168  22.907   0.652   0.652
 1254    HA   MET 168           HA       MET 168  24.474  -1.708  -1.708
 1255   1HB   MET 168           HB1      MET 168  26.303   0.063   0.063
 1256   2HB   MET 168           HB2      MET 168  26.524  -0.848  -0.848
 1257   1HG   MET 168           HG1      MET 168  25.523   0.964   0.964
 1258   2HG   MET 168           HG2      MET 168  25.260   1.875   1.875
 1259   1HE   MET 168           HE1      MET 168  26.684   3.471   3.471
 1260   2HE   MET 168           HE3      MET 168  27.719   2.289   2.289
 1261   3HE   MET 168           HE2      MET 168  28.438   3.591   3.591

  Start of MODEL   18
    1   1H    GLY   1           HT3      GLY   1 -31.073  -2.953  -2.953
    2   2H    GLY   1           HT2      GLY   1 -32.585  -2.197  -2.197
    3   3H    GLY   1           HT1      GLY   1 -31.299  -1.549  -1.549
    4   1HA   GLY   1           HA1      GLY   1 -31.384  -3.158  -3.158
    5   2HA   GLY   1           HA2      GLY   1 -33.080  -2.898  -2.898
    6    H    SER   2           HN       SER   2 -30.326  -4.869  -4.869
    7    HA   SER   2           HA       SER   2 -32.198  -7.051  -7.051
    8   1HB   SER   2           HB2      SER   2 -29.395  -6.438  -6.438
    9   2HB   SER   2           HB1      SER   2 -30.062  -8.062  -8.062
   10    HG   SER   2           HG       SER   2 -31.698  -6.029  -6.029
   11    H    MET   3           HN       MET   3 -32.434  -8.617  -8.617
   12    HA   MET   3           HA       MET   3 -30.591  -8.873  -8.873
   13   1HB   MET   3           HB2      MET   3 -33.093  -9.051  -9.051
   14   2HB   MET   3           HB1      MET   3 -32.999 -10.587 -10.587
   15   1HG   MET   3           HG2      MET   3 -31.221 -11.099 -11.099
   16   2HG   MET   3           HG1      MET   3 -32.163  -9.883  -9.883
   17   1HE   MET   3           HE1      MET   3 -34.730 -10.023 -10.023
   18   2HE   MET   3           HE3      MET   3 -35.158 -11.520 -11.520
   19   3HE   MET   3           HE2      MET   3 -35.722 -11.231 -11.231
   20    H    LEU   4           HN       LEU   4 -28.984  -9.424  -9.424
   21    HA   LEU   4           HA       LEU   4 -28.503 -12.274 -12.274
   22   1HB   LEU   4           HB1      LEU   4 -29.235 -10.922 -10.922
   23   2HB   LEU   4           HB2      LEU   4 -27.980 -12.145 -12.145
   24    HG   LEU   4           HG       LEU   4 -29.964 -13.403 -13.403
   25   1HD1  LEU   4          HD11      LEU   4 -31.165 -11.404 -11.404
   26   2HD1  LEU   4          HD13      LEU   4 -31.894 -13.008 -13.008
   27   3HD1  LEU   4          HD12      LEU   4 -31.758 -12.029 -12.029
   28   1HD2  LEU   4          HD22      LEU   4 -28.595 -14.358 -14.358
   29   2HD2  LEU   4          HD21      LEU   4 -30.307 -14.706 -14.706
   30   3HD2  LEU   4          HD23      LEU   4 -29.521 -13.450 -13.450
   31    H    LEU   5           HN       LEU   5 -26.344 -12.844 -12.844
   32    HA   LEU   5           HA       LEU   5 -24.101 -12.500 -12.500
   33   1HB   LEU   5           HB2      LEU   5 -24.829 -11.799 -11.799
   34   2HB   LEU   5           HB1      LEU   5 -24.096 -10.300 -10.300
   35    HG   LEU   5           HG       LEU   5 -22.315 -11.388 -11.388
   36   1HD1  LEU   5          HD11      LEU   5 -21.723 -10.712 -10.712
   37   2HD1  LEU   5          HD13      LEU   5 -22.194 -12.302 -12.302
   38   3HD1  LEU   5          HD12      LEU   5 -20.824 -12.144 -12.144
   39   1HD2  LEU   5          HD22      LEU   5 -23.404 -13.933 -13.933
   40   2HD2  LEU   5          HD21      LEU   5 -23.328 -13.477 -13.477
   41   3HD2  LEU   5          HD23      LEU   5 -21.843 -13.820 -13.820
   42    H    GLU   6           HN       GLU   6 -25.153 -11.342 -11.342
   43    HA   GLU   6           HA       GLU   6 -24.114  -8.590  -8.590
   44   1HB   GLU   6           HB1      GLU   6 -26.278  -9.997  -9.997
   45   2HB   GLU   6           HB2      GLU   6 -25.521  -8.540  -8.540
   46   1HG   GLU   6           HG2      GLU   6 -26.155  -7.821  -7.821
   47   2HG   GLU   6           HG1      GLU   6 -27.502  -8.861  -8.861
   48    H    GLU   7           HN       GLU   7 -24.793 -10.653 -10.653
   49    HA   GLU   7           HA       GLU   7 -23.515 -11.203 -11.203
   50   1HB   GLU   7           HB2      GLU   7 -21.938 -12.025 -12.025
   51   2HB   GLU   7           HB1      GLU   7 -21.143 -12.095 -12.095
   52   1HG   GLU   7           HG1      GLU   7 -23.798 -13.275 -13.275
   53   2HG   GLU   7           HG2      GLU   7 -22.710 -14.053 -14.053
   54    H    VAL   8           HN       VAL   8 -23.385  -8.418  -8.418
   55    HA   VAL   8           HA       VAL   8 -21.056  -7.641  -7.641
   56    HB   VAL   8           HB       VAL   8 -20.203  -6.067  -6.067
   57   1HG1  VAL   8          HG22      VAL   8 -19.338  -8.408  -8.408
   58   2HG1  VAL   8          HG21      VAL   8 -20.396  -8.810  -8.810
   59   3HG1  VAL   8          HG23      VAL   8 -19.107  -7.626  -7.626
   60   1HG2  VAL   8          HG11      VAL   8 -22.524  -7.061  -7.061
   61   2HG2  VAL   8          HG13      VAL   8 -21.918  -5.417  -5.417
   62   3HG2  VAL   8          HG12      VAL   8 -21.063  -6.546  -6.546
   63    H    CYS   9           HN       CYS   9 -23.881  -6.643  -6.643
   64    HA   CYS   9           HA       CYS   9 -25.539  -5.149  -5.149
   65   1HB   CYS   9           HB2      CYS   9 -25.289  -5.994  -5.994
   66   2HB   CYS   9           HB1      CYS   9 -24.145  -4.688  -4.688
   67    HG   CYS   9           HG       CYS   9 -27.159  -4.431  -4.431
   68    H    VAL  10           HN       VAL  10 -22.519  -3.887  -3.887
   69    HA   VAL  10           HA       VAL  10 -22.875  -1.469  -1.469
   70    HB   VAL  10           HB       VAL  10 -23.170  -1.156  -1.156
   71   1HG1  VAL  10          HG12      VAL  10 -20.698  -2.526  -2.526
   72   2HG1  VAL  10          HG11      VAL  10 -20.402  -0.887  -0.887
   73   3HG1  VAL  10          HG13      VAL  10 -21.618  -1.892  -1.892
   74   1HG2  VAL  10          HG21      VAL  10 -22.425   0.570   0.570
   75   2HG2  VAL  10          HG23      VAL  10 -22.307   0.983   0.983
   76   3HG2  VAL  10          HG22      VAL  10 -20.868   0.479   0.479
   77    H    GLY  11           HN       GLY  11 -21.257  -4.130  -4.130
   78   1HA   GLY  11           HA2      GLY  11 -18.523  -3.518  -3.518
   79   2HA   GLY  11           HA1      GLY  11 -19.225  -4.780  -4.780
   80    H    ASP  12           HN       ASP  12 -20.588  -3.604  -3.604
   81    HA   ASP  12           HA       ASP  12 -18.622  -2.550  -2.550
   82   1HB   ASP  12           HB1      ASP  12 -21.354  -3.397  -3.397
   83   2HB   ASP  12           HB2      ASP  12 -21.173  -1.847  -1.847
   84    H    ARG  13           HN       ARG  13 -20.380  -1.072  -1.072
   85    HA   ARG  13           HA       ARG  13 -20.477   1.555   1.555
   86   1HB   ARG  13           HB1      ARG  13 -21.987   0.351   0.351
   87   2HB   ARG  13           HB2      ARG  13 -20.917   1.360   1.360
   88   1HG   ARG  13           HG2      ARG  13 -22.383   2.503   2.503
   89   2HG   ARG  13           HG1      ARG  13 -23.180   2.312   2.312
   90   1HD   ARG  13           HD1      ARG  13 -21.701   3.787   3.787
   91   2HD   ARG  13           HD2      ARG  13 -20.532   3.698   3.698
   92    HE   ARG  13           HE       ARG  13 -22.674   5.520   5.520
   93   1HH1  ARG  13          HH21      ARG  13 -21.016   3.540   3.540
   94   2HH1  ARG  13          HH22      ARG  13 -21.391   4.577   4.577
   95   1HH2  ARG  13          HH11      ARG  13 -23.174   6.892   6.892
   96   2HH2  ARG  13          HH12      ARG  13 -22.618   6.482   6.482
   97    H    LEU  14           HN       LEU  14 -19.076   0.357   0.357
   98    HA   LEU  14           HA       LEU  14 -17.256   2.540   2.540
   99   1HB   LEU  14           HB1      LEU  14 -18.209   1.120   1.120
  100   2HB   LEU  14           HB2      LEU  14 -17.020  -0.087  -0.087
  101    HG   LEU  14           HG       LEU  14 -16.337   1.348   1.348
  102   1HD1  LEU  14          HD12      LEU  14 -14.802   0.285   0.285
  103   2HD1  LEU  14          HD11      LEU  14 -14.424   1.981   1.981
  104   3HD1  LEU  14          HD13      LEU  14 -14.139   1.284   1.284
  105   1HD2  LEU  14          HD23      LEU  14 -17.401   3.408   3.408
  106   2HD2  LEU  14          HD22      LEU  14 -16.118   3.600   3.600
  107   3HD2  LEU  14          HD21      LEU  14 -15.727   3.586   3.586
  108    H    SER  15           HN       SER  15 -16.553  -0.946  -0.946
  109    HA   SER  15           HA       SER  15 -13.876  -0.663  -0.663
  110   1HB   SER  15           HB1      SER  15 -14.335  -2.838  -2.838
  111   2HB   SER  15           HB2      SER  15 -15.901  -2.833  -2.833
  112    HG   SER  15           HG       SER  15 -14.797  -2.974  -2.974
  113    H    GLY  16           HN       GLY  16 -16.772  -0.470  -0.470
  114   1HA   GLY  16           HA2      GLY  16 -15.472  -0.695  -0.695
  115   2HA   GLY  16           HA1      GLY  16 -17.098  -0.094  -0.094
  116    H    ALA  17           HN       ALA  17 -17.054   2.144   2.144
  117    HA   ALA  17           HA       ALA  17 -15.884   3.984   3.984
  118   1HB   ALA  17           HB1      ALA  17 -17.217   4.324   4.324
  119   2HB   ALA  17           HB3      ALA  17 -16.617   5.688   5.688
  120   3HB   ALA  17           HB2      ALA  17 -17.878   4.646   4.646
  121    H    ALA  18           HN       ALA  18 -15.023   3.021   3.021
  122    HA   ALA  18           HA       ALA  18 -12.985   4.818   4.818
  123   1HB   ALA  18           HB3      ALA  18 -13.943   3.133   3.133
  124   2HB   ALA  18           HB2      ALA  18 -12.916   1.922   1.922
  125   3HB   ALA  18           HB1      ALA  18 -12.189   3.301   3.301
  126    H    ALA  19           HN       ALA  19 -12.706   1.601   1.601
  127    HA   ALA  19           HA       ALA  19  -9.938   1.777   1.777
  128   1HB   ALA  19           HB1      ALA  19 -12.104   0.089   0.089
  129   2HB   ALA  19           HB3      ALA  19 -10.392  -0.085  -0.085
  130   3HB   ALA  19           HB2      ALA  19 -10.959  -0.373  -0.373
  131    H    ARG  20           HN       ARG  20 -12.790   2.657   2.657
  132    HA   ARG  20           HA       ARG  20 -11.396   3.255   3.255
  133   1HB   ARG  20           HB1      ARG  20 -14.139   3.710   3.710
  134   2HB   ARG  20           HB2      ARG  20 -13.617   4.710   4.710
  135   1HG   ARG  20           HG2      ARG  20 -13.089   2.649   2.649
  136   2HG   ARG  20           HG1      ARG  20 -13.758   1.706   1.706
  137   1HD   ARG  20           HD2      ARG  20 -15.671   3.668   3.668
  138   2HD   ARG  20           HD1      ARG  20 -15.119   3.008   3.008
  139    HE   ARG  20           HE       ARG  20 -15.587   0.818   0.818
  140   1HH1  ARG  20          HH11      ARG  20 -17.459   3.557   3.557
  141   2HH1  ARG  20          HH12      ARG  20 -18.964   2.702   2.702
  142   1HH2  ARG  20          HH21      ARG  20 -17.567  -0.318  -0.318
  143   2HH2  ARG  20          HH22      ARG  20 -19.027   0.500   0.500
  144    H    GLY  21           HN       GLY  21 -11.422   4.775   4.775
  145   1HA   GLY  21           HA2      GLY  21  -9.882   6.675   6.675
  146   2HA   GLY  21           HA1      GLY  21 -10.620   7.337   7.337
  147    H    ASP  22           HN       ASP  22 -13.094   7.586   7.586
  148    HA   ASP  22           HA       ASP  22 -14.500   9.186   9.186
  149   1HB   ASP  22           HB1      ASP  22 -16.035   7.974   7.974
  150   2HB   ASP  22           HB2      ASP  22 -15.040   6.663   6.663
  151    H    VAL  23           HN       VAL  23 -11.988  10.043  10.043
  152    HA   VAL  23           HA       VAL  23 -11.441  10.356  10.356
  153    HB   VAL  23           HB       VAL  23  -9.965  11.148  11.148
  154   1HG1  VAL  23          HG11      VAL  23 -12.080  12.401  12.401
  155   2HG1  VAL  23          HG13      VAL  23 -11.395  13.741  13.741
  156   3HG1  VAL  23          HG12      VAL  23 -10.428  12.934  12.934
  157   1HG2  VAL  23          HG23      VAL  23  -9.755  11.868  11.868
  158   2HG2  VAL  23          HG22      VAL  23  -8.994  12.924  12.924
  159   3HG2  VAL  23          HG21      VAL  23 -10.542  13.373  13.373
  160    H    GLN  24           HN       GLN  24 -13.740  12.015  12.015
  161    HA   GLN  24           HA       GLN  24 -14.487  13.972  13.972
  162   1HB   GLN  24           HB1      GLN  24 -15.728  13.051  13.051
  163   2HB   GLN  24           HB2      GLN  24 -16.479  14.271  14.271
  164   1HG   GLN  24           HG1      GLN  24 -15.127  15.863  15.863
  165   2HG   GLN  24           HG2      GLN  24 -13.694  14.862  14.862
  166   1HE2  GLN  24          HE22      GLN  24 -13.773  15.543  15.543
  167   2HE2  GLN  24          HE21      GLN  24 -13.465  16.366  16.366
  168    H    GLU  25           HN       GLU  25 -15.799  10.874  10.874
  169    HA   GLU  25           HA       GLU  25 -18.075  10.968  10.968
  170   1HB   GLU  25           HB1      GLU  25 -16.935   8.472   8.472
  171   2HB   GLU  25           HB2      GLU  25 -18.607   8.814   8.814
  172   1HG   GLU  25           HG1      GLU  25 -18.872   9.263   9.263
  173   2HG   GLU  25           HG2      GLU  25 -18.061  10.787  10.787
  174    H    VAL  26           HN       VAL  26 -14.795   9.886   9.886
  175    HA   VAL  26           HA       VAL  26 -14.984   7.992   7.992
  176    HB   VAL  26           HB       VAL  26 -12.883   8.937   8.937
  177   1HG1  VAL  26          HG11      VAL  26 -13.277  11.219  11.219
  178   2HG1  VAL  26          HG13      VAL  26 -12.534  10.472  10.472
  179   3HG1  VAL  26          HG12      VAL  26 -11.632  10.596  10.596
  180   1HG2  VAL  26          HG23      VAL  26 -13.269   7.267   7.267
  181   2HG2  VAL  26          HG22      VAL  26 -11.772   7.461   7.461
  182   3HG2  VAL  26          HG21      VAL  26 -12.031   8.387   8.387
  183    H    ARG  27           HN       ARG  27 -15.067  11.510  11.510
  184    HA   ARG  27           HA       ARG  27 -15.130  11.527  11.527
  185   1HB   ARG  27           HB2      ARG  27 -16.000  13.708  13.708
  186   2HB   ARG  27           HB1      ARG  27 -15.583  13.896  13.896
  187   1HG   ARG  27           HG2      ARG  27 -13.336  13.729  13.729
  188   2HG   ARG  27           HG1      ARG  27 -13.548  12.761  12.761
  189   1HD   ARG  27           HD2      ARG  27 -14.296  14.698  14.698
  190   2HD   ARG  27           HD1      ARG  27 -14.252  15.683  15.683
  191    HE   ARG  27           HE       ARG  27 -11.704  14.597  14.597
  192   1HH1  ARG  27          HH21      ARG  27 -13.896  16.909  16.909
  193   2HH1  ARG  27          HH22      ARG  27 -12.636  17.886  17.886
  194   1HH2  ARG  27          HH11      ARG  27 -10.037  15.872  15.872
  195   2HH2  ARG  27          HH12      ARG  27 -10.441  17.296  17.296
  196    H    ARG  28           HN       ARG  28 -17.571  11.979  11.979
  197    HA   ARG  28           HA       ARG  28 -19.756  12.317  12.317
  198   1HB   ARG  28           HB1      ARG  28 -19.381  11.890  11.890
  199   2HB   ARG  28           HB2      ARG  28 -20.933  11.372  11.372
  200   1HG   ARG  28           HG2      ARG  28 -21.431  13.557  13.557
  201   2HG   ARG  28           HG1      ARG  28 -19.789  14.113  14.113
  202   1HD   ARG  28           HD2      ARG  28 -20.206  14.444  14.444
  203   2HD   ARG  28           HD1      ARG  28 -21.179  12.981  12.981
  204    HE   ARG  28           HE       ARG  28 -22.716  14.746  14.746
  205   1HH1  ARG  28          HH21      ARG  28 -21.191  14.721  14.721
  206   2HH1  ARG  28          HH22      ARG  28 -22.378  15.749  15.749
  207   1HH2  ARG  28          HH11      ARG  28 -24.285  16.101  16.101
  208   2HH2  ARG  28          HH12      ARG  28 -24.136  16.535  16.535
  209    H    LEU  29           HN       LEU  29 -18.167   9.499   9.499
  210    HA   LEU  29           HA       LEU  29 -20.143   7.578   7.578
  211   1HB   LEU  29           HB2      LEU  29 -17.173   7.555   7.555
  212   2HB   LEU  29           HB1      LEU  29 -17.990   6.131   6.131
  213    HG   LEU  29           HG       LEU  29 -18.717   7.248   7.248
  214   1HD1  LEU  29          HD13      LEU  29 -16.314   5.610   5.610
  215   2HD1  LEU  29          HD12      LEU  29 -17.074   5.471   5.471
  216   3HD1  LEU  29          HD11      LEU  29 -16.426   7.022   7.022
  217   1HD2  LEU  29          HD22      LEU  29 -19.778   5.243   5.243
  218   2HD2  LEU  29          HD21      LEU  29 -19.866   5.342   5.342
  219   3HD2  LEU  29          HD23      LEU  29 -18.616   4.361   4.361
  220    H    LEU  30           HN       LEU  30 -17.480   8.096   8.096
  221    HA   LEU  30           HA       LEU  30 -18.872   6.740   6.740
  222   1HB   LEU  30           HB1      LEU  30 -16.610   8.529   8.529
  223   2HB   LEU  30           HB2      LEU  30 -16.939   6.889   6.889
  224    HG   LEU  30           HG       LEU  30 -15.754   7.750   7.750
  225   1HD1  LEU  30          HD12      LEU  30 -14.664   6.131   6.131
  226   2HD1  LEU  30          HD11      LEU  30 -13.838   6.415   6.415
  227   3HD1  LEU  30          HD13      LEU  30 -14.184   7.766   7.766
  228   1HD2  LEU  30          HD21      LEU  30 -17.385   5.848   5.848
  229   2HD2  LEU  30          HD23      LEU  30 -15.732   5.478   5.478
  230   3HD2  LEU  30          HD22      LEU  30 -16.329   4.932   4.932
  231    H    HIS  31           HN       HIS  31 -17.933  10.157  10.157
  232    HA   HIS  31           HA       HIS  31 -19.264  11.055  11.055
  233   1HB   HIS  31           HB2      HIS  31 -18.374  12.583  12.583
  234   2HB   HIS  31           HB1      HIS  31 -18.926  13.324  13.324
  235    HD2  HIS  31           HD2      HIS  31 -15.745  13.180  13.180
  236    HE1  HIS  31           HE1      HIS  31 -14.966  11.683  11.683
  237    HE2  HIS  31           HE2      HIS  31 -13.960  12.812  12.812
  238    H    ARG  32           HN       ARG  32 -20.616   9.909   9.909
  239    HA   ARG  32           HA       ARG  32 -23.138  11.236  11.236
  240   1HB   ARG  32           HB1      ARG  32 -21.620  12.003  12.003
  241   2HB   ARG  32           HB2      ARG  32 -22.859  10.951  10.951
  242   1HG   ARG  32           HG2      ARG  32 -23.948  12.942  12.942
  243   2HG   ARG  32           HG1      ARG  32 -24.435  12.432  12.432
  244   1HD   ARG  32           HD2      ARG  32 -23.630  14.373  14.373
  245   2HD   ARG  32           HD1      ARG  32 -22.022  13.728  13.728
  246    HE   ARG  32           HE       ARG  32 -22.735  14.731  14.731
  247   1HH1  ARG  32          HH21      ARG  32 -22.815  16.062  16.062
  248   2HH1  ARG  32          HH22      ARG  32 -22.568  17.692  17.692
  249   1HH2  ARG  32          HH11      ARG  32 -22.410  16.875  16.875
  250   2HH2  ARG  32          HH12      ARG  32 -22.337  18.156  18.156
  251    H    GLU  33           HN       GLU  33 -21.735   8.907   8.907
  252    HA   GLU  33           HA       GLU  33 -24.111   7.353   7.353
  253   1HB   GLU  33           HB1      GLU  33 -22.030   7.523   7.523
  254   2HB   GLU  33           HB2      GLU  33 -21.453   6.167   6.167
  255   1HG   GLU  33           HG2      GLU  33 -24.218   5.888   5.888
  256   2HG   GLU  33           HG1      GLU  33 -23.044   5.988   5.988
  257    H    LEU  34           HN       LEU  34 -21.944   7.695   7.695
  258    HA   LEU  34           HA       LEU  34 -21.252   6.382   6.382
  259   1HB   LEU  34           HB1      LEU  34 -24.079   6.557   6.557
  260   2HB   LEU  34           HB2      LEU  34 -23.690   4.946   4.946
  261    HG   LEU  34           HG       LEU  34 -22.323   5.975   5.975
  262   1HD1  LEU  34          HD21      LEU  34 -22.188   8.178   8.178
  263   2HD1  LEU  34          HD23      LEU  34 -23.646   8.585   8.585
  264   3HD1  LEU  34          HD22      LEU  34 -22.147   8.229   8.229
  265   1HD2  LEU  34          HD13      LEU  34 -25.225   6.115   6.115
  266   2HD2  LEU  34          HD12      LEU  34 -24.250   5.469   5.469
  267   3HD2  LEU  34          HD11      LEU  34 -24.583   7.199   7.199
  268    H    VAL  35           HN       VAL  35 -20.765   5.164   5.164
  269    HA   VAL  35           HA       VAL  35 -21.498   2.471   2.471
  270    HB   VAL  35           HB       VAL  35 -20.362   3.823   3.823
  271   1HG1  VAL  35          HG22      VAL  35 -18.338   4.005   4.005
  272   2HG1  VAL  35          HG21      VAL  35 -17.699   2.975   2.975
  273   3HG1  VAL  35          HG23      VAL  35 -18.295   4.589   4.589
  274   1HG2  VAL  35          HG12      VAL  35 -20.573   1.176   1.176
  275   2HG2  VAL  35          HG11      VAL  35 -19.804   1.917   1.917
  276   3HG2  VAL  35          HG13      VAL  35 -18.817   1.314   1.314
  277    H    HIS  36           HN       HIS  36 -19.947   0.608   0.608
  278    HA   HIS  36           HA       HIS  36 -18.673   0.766   0.766
  279   1HB   HIS  36           HB2      HIS  36 -20.336  -1.149  -1.149
  280   2HB   HIS  36           HB1      HIS  36 -18.741  -1.891  -1.891
  281    HD2  HIS  36           HD2      HIS  36 -21.155  -0.117  -0.117
  282    HE1  HIS  36           HE1      HIS  36 -18.906  -3.141  -3.141
  283    HE2  HIS  36           HE2      HIS  36 -20.602  -1.285  -1.285
  284    HA   PRO  37           HA       PRO  37 -14.660   0.695   0.695
  285   1HB   PRO  37           HB1      PRO  37 -13.220   0.048   0.048
  286   2HB   PRO  37           HB2      PRO  37 -13.912   1.654   1.654
  287   1HG   PRO  37           HG1      PRO  37 -14.942  -0.614  -0.614
  288   2HG   PRO  37           HG2      PRO  37 -14.872   1.114   1.114
  289   1HD   PRO  37           HD2      PRO  37 -17.142  -0.111  -0.111
  290   2HD   PRO  37           HD1      PRO  37 -16.779   1.588   1.588
  291    H    ASP  38           HN       ASP  38 -16.260  -1.998  -1.998
  292    HA   ASP  38           HA       ASP  38 -14.150  -3.817  -3.817
  293   1HB   ASP  38           HB1      ASP  38 -16.329  -4.978  -4.978
  294   2HB   ASP  38           HB2      ASP  38 -14.590  -5.233  -5.233
  295    H    ALA  39           HN       ALA  39 -15.588  -2.761  -2.761
  296    HA   ALA  39           HA       ALA  39 -17.726  -4.668  -4.668
  297   1HB   ALA  39           HB3      ALA  39 -17.721  -1.978  -1.978
  298   2HB   ALA  39           HB2      ALA  39 -17.196  -2.456  -2.456
  299   3HB   ALA  39           HB1      ALA  39 -18.723  -3.060  -3.060
  300    H    LEU  40           HN       LEU  40 -17.175  -6.386  -6.386
  301    HA   LEU  40           HA       LEU  40 -14.801  -6.273  -6.273
  302   1HB   LEU  40           HB1      LEU  40 -16.445  -8.576  -8.576
  303   2HB   LEU  40           HB2      LEU  40 -15.142  -8.772  -8.772
  304    HG   LEU  40           HG       LEU  40 -13.501  -8.348  -8.348
  305   1HD1  LEU  40          HD22      LEU  40 -14.405  -6.149  -6.149
  306   2HD1  LEU  40          HD21      LEU  40 -15.519  -6.963  -6.963
  307   3HD1  LEU  40          HD23      LEU  40 -13.781  -7.073  -7.073
  308   1HD2  LEU  40          HD13      LEU  40 -15.827  -9.710  -9.710
  309   2HD2  LEU  40          HD12      LEU  40 -14.254 -10.358 -10.358
  310   3HD2  LEU  40          HD11      LEU  40 -14.403  -9.361  -9.361
  311    H    ASN  41           HN       ASN  41 -14.916  -7.476  -7.476
  312    HA   ASN  41           HA       ASN  41 -17.456  -6.854  -6.854
  313   1HB   ASN  41           HB2      ASN  41 -16.251  -6.403  -6.403
  314   2HB   ASN  41           HB1      ASN  41 -15.298  -5.662  -5.662
  315   1HD2  ASN  41          HD22      ASN  41 -12.620  -7.960  -7.960
  316   2HD2  ASN  41          HD21      ASN  41 -13.495  -6.956  -6.956
  317    H    ARG  42           HN       ARG  42 -17.400  -9.225  -9.225
  318    HA   ARG  42           HA       ARG  42 -17.729 -11.465 -11.465
  319   1HB   ARG  42           HB1      ARG  42 -19.124 -10.302 -10.302
  320   2HB   ARG  42           HB2      ARG  42 -18.036 -11.291 -11.291
  321   1HG   ARG  42           HG1      ARG  42 -19.475 -12.556 -12.556
  322   2HG   ARG  42           HG2      ARG  42 -20.361 -12.205 -12.205
  323   1HD   ARG  42           HD2      ARG  42 -19.595 -14.162 -14.162
  324   2HD   ARG  42           HD1      ARG  42 -18.038 -13.353 -13.353
  325    HE   ARG  42           HE       ARG  42 -17.254 -14.664 -14.664
  326   1HH1  ARG  42          HH21      ARG  42 -20.721 -14.480 -14.480
  327   2HH1  ARG  42          HH22      ARG  42 -20.802 -15.589 -15.589
  328   1HH2  ARG  42          HH11      ARG  42 -17.350 -16.127 -16.127
  329   2HH2  ARG  42          HH12      ARG  42 -18.886 -16.527 -16.527
  330    H    PHE  43           HN       PHE  43 -15.015 -10.251 -10.251
  331    HA   PHE  43           HA       PHE  43 -13.867 -12.576 -12.576
  332   1HB   PHE  43           HB1      PHE  43 -13.665  -9.933  -9.933
  333   2HB   PHE  43           HB2      PHE  43 -12.155 -10.210 -10.210
  334    HD1  PHE  43           HD2      PHE  43 -14.273 -12.221 -12.221
  335    HD2  PHE  43           HD1      PHE  43 -10.410 -10.668 -10.668
  336    HE1  PHE  43           HE2      PHE  43 -13.350 -13.342 -13.342
  337    HE2  PHE  43           HE1      PHE  43  -9.480 -11.786 -11.786
  338    HZ   PHE  43           HZ       PHE  43 -10.943 -13.118 -13.118
  339    H    GLY  44           HN       GLY  44 -14.127 -10.943 -10.943
  340   1HA   GLY  44           HA2      GLY  44 -13.216 -11.666 -11.666
  341   2HA   GLY  44           HA1      GLY  44 -11.992 -12.559 -12.559
  342    H    LYS  45           HN       LYS  45 -12.544  -9.282  -9.282
  343    HA   LYS  45           HA       LYS  45 -10.035  -8.518  -8.518
  344   1HB   LYS  45           HB1      LYS  45 -10.992  -6.923  -6.923
  345   2HB   LYS  45           HB2      LYS  45  -9.355  -7.381  -7.381
  346   1HG   LYS  45           HG1      LYS  45  -9.545  -9.484  -9.484
  347   2HG   LYS  45           HG2      LYS  45 -11.304  -9.379  -9.379
  348   1HD   LYS  45           HD1      LYS  45 -10.795  -8.884  -8.884
  349   2HD   LYS  45           HD2      LYS  45 -10.735  -7.258  -7.258
  350   1HE   LYS  45           HE2      LYS  45  -8.323  -7.420  -7.420
  351   2HE   LYS  45           HE1      LYS  45  -8.357  -9.073  -9.073
  352   1HZ   LYS  45           HZ1      LYS  45  -9.608  -7.756  -7.756
  353   2HZ   LYS  45           HZ3      LYS  45  -8.523  -6.568  -6.568
  354   3HZ   LYS  45           HZ2      LYS  45  -7.946  -8.072  -8.072
  355    H    THR  46           HN       THR  46  -9.914  -6.560  -6.560
  356    HA   THR  46           HA       THR  46 -12.476  -5.432  -5.432
  357    HB   THR  46           HB       THR  46 -11.118  -4.186  -4.186
  358    HG1  THR  46           HG1      THR  46  -8.945  -4.564  -4.564
  359   1HG2  THR  46          HG23      THR  46 -11.932  -6.633  -6.633
  360   2HG2  THR  46          HG22      THR  46 -10.214  -7.017  -7.017
  361   3HG2  THR  46          HG21      THR  46 -10.791  -5.934  -5.934
  362    H    ALA  47           HN       ALA  47 -12.380  -2.943  -2.943
  363    HA   ALA  47           HA       ALA  47 -12.352  -1.667  -1.667
  364   1HB   ALA  47           HB3      ALA  47 -12.337  -0.570  -0.570
  365   2HB   ALA  47           HB2      ALA  47 -12.466   0.453   0.453
  366   3HB   ALA  47           HB1      ALA  47 -13.708  -0.752  -0.752
  367    H    LEU  48           HN       LEU  48  -9.904  -1.829  -1.829
  368    HA   LEU  48           HA       LEU  48  -8.142   0.054   0.054
  369   1HB   LEU  48           HB1      LEU  48  -8.155  -1.679  -1.679
  370   2HB   LEU  48           HB2      LEU  48  -6.572  -1.515  -1.515
  371    HG   LEU  48           HG       LEU  48  -8.321   0.737   0.737
  372   1HD1  LEU  48          HD11      LEU  48  -7.093  -0.773  -0.773
  373   2HD1  LEU  48          HD13      LEU  48  -5.616  -0.048  -0.048
  374   3HD1  LEU  48          HD12      LEU  48  -6.839   0.968   0.968
  375   1HD2  LEU  48          HD21      LEU  48  -6.337   0.779   0.779
  376   2HD2  LEU  48          HD23      LEU  48  -7.119   2.151   2.151
  377   3HD2  LEU  48          HD22      LEU  48  -5.622   1.493   1.493
  378    H    GLN  49           HN       GLN  49  -8.580  -3.415  -3.415
  379    HA   GLN  49           HA       GLN  49  -6.121  -3.974  -3.974
  380   1HB   GLN  49           HB2      GLN  49  -7.607  -5.584  -5.584
  381   2HB   GLN  49           HB1      GLN  49  -8.579  -5.704  -5.704
  382   1HG   GLN  49           HG2      GLN  49  -6.830  -6.691  -6.691
  383   2HG   GLN  49           HG1      GLN  49  -5.628  -6.235  -6.235
  384   1HE2  GLN  49          HE22      GLN  49  -5.954  -9.139  -9.139
  385   2HE2  GLN  49          HE21      GLN  49  -5.102  -7.672  -7.672
  386    H    VAL  50           HN       VAL  50  -8.729  -2.287  -2.287
  387    HA   VAL  50           HA       VAL  50  -8.189  -3.021  -3.021
  388    HB   VAL  50           HB       VAL  50 -10.657  -2.239  -2.239
  389   1HG1  VAL  50          HG11      VAL  50  -9.634  -4.889  -4.889
  390   2HG1  VAL  50          HG13      VAL  50 -11.365  -4.685  -4.685
  391   3HG1  VAL  50          HG12      VAL  50 -10.221  -4.388  -4.388
  392   1HG2  VAL  50          HG21      VAL  50 -10.534  -2.054  -2.054
  393   2HG2  VAL  50          HG23      VAL  50 -11.981  -1.990  -1.990
  394   3HG2  VAL  50          HG22      VAL  50 -11.454  -3.525  -3.525
  395    H    MET  51           HN       MET  51  -9.473  -0.518  -0.518
  396    HA   MET  51           HA       MET  51  -9.784   1.637   1.637
  397   1HB   MET  51           HB1      MET  51  -9.293   3.016   3.016
  398   2HB   MET  51           HB2      MET  51  -9.794   1.495   1.495
  399   1HG   MET  51           HG1      MET  51  -7.947   1.735   1.735
  400   2HG   MET  51           HG2      MET  51  -7.123   1.113   1.113
  401   1HE   MET  51           HE2      MET  51  -5.083   1.787   1.787
  402   2HE   MET  51           HE1      MET  51  -4.450   3.393   3.393
  403   3HE   MET  51           HE3      MET  51  -4.777   2.931   2.931
  404    H    MET  52           HN       MET  52  -8.582   3.117   3.117
  405    HA   MET  52           HA       MET  52  -5.898   2.270   2.270
  406   1HB   MET  52           HB1      MET  52  -6.068   3.981   3.981
  407   2HB   MET  52           HB2      MET  52  -7.440   2.882   2.882
  408   1HG   MET  52           HG1      MET  52  -8.799   4.616   4.616
  409   2HG   MET  52           HG2      MET  52  -8.165   5.020   5.020
  410   1HE   MET  52           HE1      MET  52  -9.072   5.938   5.938
  411   2HE   MET  52           HE3      MET  52  -8.719   7.662   7.662
  412   3HE   MET  52           HE2      MET  52  -7.727   6.624   6.624
  413    H    PHE  53           HN       PHE  53  -4.046   3.533   3.533
  414    HA   PHE  53           HA       PHE  53  -4.083   5.403   5.403
  415   1HB   PHE  53           HB1      PHE  53  -1.807   4.233   4.233
  416   2HB   PHE  53           HB2      PHE  53  -1.595   5.325   5.325
  417    HD1  PHE  53           HD2      PHE  53  -3.638   2.259   2.259
  418    HD2  PHE  53           HD1      PHE  53  -0.884   4.269   4.269
  419    HE1  PHE  53           HE2      PHE  53  -3.673   0.338   0.338
  420    HE2  PHE  53           HE1      PHE  53  -0.915   2.351   2.351
  421    HZ   PHE  53           HZ       PHE  53  -2.325   0.380   0.380
  422    H    GLY  54           HN       GLY  54  -5.163   6.039   6.039
  423   1HA   GLY  54           HA2      GLY  54  -3.402   7.982   7.982
  424   2HA   GLY  54           HA1      GLY  54  -5.097   7.756   7.756
  425    H    SER  55           HN       SER  55  -6.184   8.157   8.157
  426    HA   SER  55           HA       SER  55  -5.669  11.037  11.037
  427   1HB   SER  55           HB1      SER  55  -8.176   9.625   9.625
  428   2HB   SER  55           HB2      SER  55  -7.933  11.344  11.344
  429    HG   SER  55           HG       SER  55  -8.202  11.021  11.021
  430    HA   PRO  56           HA       PRO  56  -3.885   9.938   9.938
  431   1HB   PRO  56           HB2      PRO  56  -4.245  12.845  12.845
  432   2HB   PRO  56           HB1      PRO  56  -2.787  11.856  11.856
  433   1HG   PRO  56           HG1      PRO  56  -3.121  13.536  13.536
  434   2HG   PRO  56           HG2      PRO  56  -2.368  11.947  11.947
  435   1HD   PRO  56           HD1      PRO  56  -5.153  12.839  12.839
  436   2HD   PRO  56           HD2      PRO  56  -4.062  11.788  11.788
  437    H    ALA  57           HN       ALA  57  -6.593  12.230  12.230
  438    HA   ALA  57           HA       ALA  57  -7.476  11.982  11.982
  439   1HB   ALA  57           HB1      ALA  57  -8.118  13.769  13.769
  440   2HB   ALA  57           HB3      ALA  57  -9.255  12.601  12.601
  441   3HB   ALA  57           HB2      ALA  57  -9.426  13.136  13.136
  442    H    VAL  58           HN       VAL  58  -7.981  10.004  10.004
  443    HA   VAL  58           HA       VAL  58 -10.247   8.586   8.586
  444    HB   VAL  58           HB       VAL  58  -8.093   8.130   8.130
  445   1HG1  VAL  58          HG12      VAL  58  -9.710   5.980   5.980
  446   2HG1  VAL  58          HG11      VAL  58  -9.488   5.942   5.942
  447   3HG1  VAL  58          HG13      VAL  58  -8.086   5.932   5.932
  448   1HG2  VAL  58          HG21      VAL  58 -10.382   9.380   9.380
  449   2HG2  VAL  58          HG23      VAL  58  -9.773   8.380   8.380
  450   3HG2  VAL  58          HG22      VAL  58 -11.012   7.749   7.749
  451    H    ALA  59           HN       ALA  59  -6.771   7.909   7.909
  452    HA   ALA  59           HA       ALA  59  -7.031   5.501   5.501
  453   1HB   ALA  59           HB3      ALA  59  -4.827   7.455   7.455
  454   2HB   ALA  59           HB2      ALA  59  -4.631   6.223   6.223
  455   3HB   ALA  59           HB1      ALA  59  -4.926   5.747   5.747
  456    H    LEU  60           HN       LEU  60  -6.735   8.866   8.866
  457    HA   LEU  60           HA       LEU  60  -6.497   8.395   8.395
  458   1HB   LEU  60           HB1      LEU  60  -6.102  10.561  10.561
  459   2HB   LEU  60           HB2      LEU  60  -7.837  10.796  10.796
  460    HG   LEU  60           HG       LEU  60  -6.267  11.915  11.915
  461   1HD1  LEU  60          HD21      LEU  60  -8.751  11.955  11.955
  462   2HD1  LEU  60          HD23      LEU  60  -8.754  10.474  10.474
  463   3HD1  LEU  60          HD22      LEU  60  -8.076  11.956  11.956
  464   1HD2  LEU  60          HD11      LEU  60  -5.334   9.546   9.546
  465   2HD2  LEU  60          HD13      LEU  60  -5.633  10.675  10.675
  466   3HD2  LEU  60          HD12      LEU  60  -6.789   9.386   9.386
  467    H    GLU  61           HN       GLU  61  -9.338   9.080   9.080
  468    HA   GLU  61           HA       GLU  61 -11.238   9.002   9.002
  469   1HB   GLU  61           HB2      GLU  61 -11.288   8.934   8.934
  470   2HB   GLU  61           HB1      GLU  61 -12.685   8.219   8.219
  471   1HG   GLU  61           HG1      GLU  61 -13.529  10.255  10.255
  472   2HG   GLU  61           HG2      GLU  61 -12.261  10.617  10.617
  473    H    LEU  62           HN       LEU  62 -10.181   6.498   6.498
  474    HA   LEU  62           HA       LEU  62 -11.864   4.456   4.456
  475   1HB   LEU  62           HB1      LEU  62  -9.332   4.521   4.521
  476   2HB   LEU  62           HB2      LEU  62  -9.925   2.983   2.983
  477    HG   LEU  62           HG       LEU  62 -11.195   4.830   4.830
  478   1HD1  LEU  62          HD11      LEU  62  -9.579   3.014   3.014
  479   2HD1  LEU  62          HD13      LEU  62 -10.776   1.853   1.853
  480   3HD1  LEU  62          HD12      LEU  62 -11.169   2.939   2.939
  481   1HD2  LEU  62          HD22      LEU  62 -12.511   2.824   2.824
  482   2HD2  LEU  62          HD21      LEU  62 -13.078   4.413   4.413
  483   3HD2  LEU  62          HD23      LEU  62 -13.097   3.060   3.060
  484    H    LEU  63           HN       LEU  63  -8.412   5.062   5.062
  485    HA   LEU  63           HA       LEU  63  -8.132   3.039   3.039
  486   1HB   LEU  63           HB2      LEU  63  -6.405   4.649   4.649
  487   2HB   LEU  63           HB1      LEU  63  -6.479   5.484   5.484
  488    HG   LEU  63           HG       LEU  63  -5.796   2.559   2.559
  489   1HD1  LEU  63          HD13      LEU  63  -4.059   5.003   5.003
  490   2HD1  LEU  63          HD12      LEU  63  -3.475   3.416   3.416
  491   3HD1  LEU  63          HD11      LEU  63  -4.017   3.673   3.673
  492   1HD2  LEU  63          HD23      LEU  63  -6.675   3.902   3.902
  493   2HD2  LEU  63          HD22      LEU  63  -5.676   2.450   2.450
  494   3HD2  LEU  63          HD21      LEU  63  -4.924   4.039   4.039
  495    H    LYS  64           HN       LYS  64  -8.890   6.486   6.486
  496    HA   LYS  64           HA       LYS  64  -8.879   6.603   6.603
  497   1HB   LYS  64           HB2      LYS  64  -8.829   8.600   8.600
  498   2HB   LYS  64           HB1      LYS  64 -10.476   8.266   8.266
  499   1HG   LYS  64           HG1      LYS  64 -11.227   8.530   8.530
  500   2HG   LYS  64           HG2      LYS  64  -9.578   8.978   8.978
  501   1HD   LYS  64           HD2      LYS  64 -10.482  10.519  10.519
  502   2HD   LYS  64           HD1      LYS  64 -11.606  10.672  10.672
  503   1HE   LYS  64           HE2      LYS  64  -8.737  10.856  10.856
  504   2HE   LYS  64           HE1      LYS  64  -9.401  12.186  12.186
  505   1HZ   LYS  64           HZ3      LYS  64 -10.935  11.322  11.322
  506   2HZ   LYS  64           HZ2      LYS  64  -9.491  12.150  12.150
  507   3HZ   LYS  64           HZ1      LYS  64 -10.703  12.876  12.876
  508    H    GLN  65           HN       GLN  65 -11.214   5.406   5.406
  509    HA   GLN  65           HA       GLN  65 -13.533   5.550   5.550
  510   1HB   GLN  65           HB2      GLN  65 -13.221   4.920   4.920
  511   2HB   GLN  65           HB1      GLN  65 -13.036   3.281   3.281
  512   1HG   GLN  65           HG2      GLN  65 -15.238   3.458   3.458
  513   2HG   GLN  65           HG1      GLN  65 -15.424   5.070   5.070
  514   1HE2  GLN  65          HE22      GLN  65 -17.256   3.081   3.081
  515   2HE2  GLN  65          HE21      GLN  65 -17.397   3.842   3.842
  516    H    GLY  66           HN       GLY  66 -10.727   3.688   3.688
  517   1HA   GLY  66           HA2      GLY  66 -10.288   2.410   2.410
  518   2HA   GLY  66           HA1      GLY  66 -12.018   2.183   2.183
  519    H    ALA  67           HN       ALA  67  -9.513   1.421   1.421
  520    HA   ALA  67           HA       ALA  67 -10.678  -1.281  -1.281
  521   1HB   ALA  67           HB1      ALA  67 -10.051   0.658   0.658
  522   2HB   ALA  67           HB3      ALA  67  -9.324  -0.923  -0.923
  523   3HB   ALA  67           HB2      ALA  67 -11.068  -0.783  -0.783
  524    H    SER  68           HN       SER  68  -9.032  -2.877  -2.877
  525    HA   SER  68           HA       SER  68  -6.486  -2.484  -2.484
  526   1HB   SER  68           HB2      SER  68  -6.840  -5.202  -5.202
  527   2HB   SER  68           HB1      SER  68  -6.794  -4.542  -4.542
  528    HG   SER  68           HG       SER  68  -8.867  -4.800  -4.800
  529    HA   PRO  69           HA       PRO  69  -5.028  -2.142  -2.142
  530   1HB   PRO  69           HB2      PRO  69  -2.604  -1.105  -1.105
  531   2HB   PRO  69           HB1      PRO  69  -4.066  -0.130  -0.130
  532   1HG   PRO  69           HG2      PRO  69  -2.802  -1.224  -1.224
  533   2HG   PRO  69           HG1      PRO  69  -3.506   0.378   0.378
  534   1HD   PRO  69           HD1      PRO  69  -4.836  -1.562  -1.562
  535   2HD   PRO  69           HD2      PRO  69  -5.668  -0.383  -0.383
  536    H    ASN  70           HN       ASN  70  -4.025  -3.988  -3.988
  537    HA   ASN  70           HA       ASN  70  -1.777  -5.233  -5.233
  538   1HB   ASN  70           HB2      ASN  70  -2.922  -6.395  -6.395
  539   2HB   ASN  70           HB1      ASN  70  -1.238  -6.173  -6.173
  540   1HD2  ASN  70          HD22      ASN  70  -1.666  -2.534  -2.534
  541   2HD2  ASN  70          HD21      ASN  70  -1.482  -3.411  -3.411
  542    H    VAL  71           HN       VAL  71  -3.480  -5.740  -5.740
  543    HA   VAL  71           HA       VAL  71  -4.646  -8.388  -8.388
  544    HB   VAL  71           HB       VAL  71  -6.207  -7.918  -7.918
  545   1HG1  VAL  71          HG23      VAL  71  -6.218  -6.451  -6.451
  546   2HG1  VAL  71          HG22      VAL  71  -7.458  -6.055  -6.055
  547   3HG1  VAL  71          HG21      VAL  71  -7.305  -7.708  -7.708
  548   1HG2  VAL  71          HG13      VAL  71  -4.933  -5.203  -5.203
  549   2HG2  VAL  71          HG12      VAL  71  -5.115  -6.220  -6.220
  550   3HG2  VAL  71          HG11      VAL  71  -6.529  -5.449  -5.449
  551    H    GLN  72           HN       GLN  72  -3.847 -10.050 -10.050
  552    HA   GLN  72           HA       GLN  72  -2.090  -9.478  -9.478
  553   1HB   GLN  72           HB2      GLN  72  -2.254 -12.110 -12.110
  554   2HB   GLN  72           HB1      GLN  72  -0.940 -11.482 -11.482
  555   1HG   GLN  72           HG2      GLN  72  -0.119 -10.170 -10.170
  556   2HG   GLN  72           HG1      GLN  72  -1.689 -10.002 -10.002
  557   1HE2  GLN  72          HE22      GLN  72   0.309 -12.117 -12.117
  558   2HE2  GLN  72          HE21      GLN  72   0.296 -10.481 -10.481
  559    H    ASP  73           HN       ASP  73  -2.375 -10.460 -10.460
  560    HA   ASP  73           HA       ASP  73  -5.030 -11.528 -11.528
  561   1HB   ASP  73           HB1      ASP  73  -4.530 -11.244 -11.244
  562   2HB   ASP  73           HB2      ASP  73  -4.020  -9.793  -9.793
  563    H    ALA  74           HN       ALA  74  -4.937 -13.290 -13.290
  564    HA   ALA  74           HA       ALA  74  -3.996 -15.659 -15.659
  565   1HB   ALA  74           HB1      ALA  74  -5.105 -15.123 -15.123
  566   2HB   ALA  74           HB3      ALA  74  -4.687 -16.736 -16.736
  567   3HB   ALA  74           HB2      ALA  74  -5.943 -15.802 -15.802
  568    H    SER  75           HN       SER  75  -2.358 -13.339 -13.339
  569    HA   SER  75           HA       SER  75  -0.299 -15.277 -15.277
  570   1HB   SER  75           HB2      SER  75   0.034 -14.133 -14.133
  571   2HB   SER  75           HB1      SER  75  -1.584 -13.502 -13.502
  572    HG   SER  75           HG       SER  75   0.844 -12.234 -12.234
  573    H    GLY  76           HN       GLY  76  -0.850 -13.684 -13.684
  574   1HA   GLY  76           HA1      GLY  76   0.429 -12.730 -12.730
  575   2HA   GLY  76           HA2      GLY  76   1.825 -13.339 -13.339
  576    H    THR  77           HN       THR  77  -0.375 -10.629 -10.629
  577    HA   THR  77           HA       THR  77   1.598  -8.685  -8.685
  578    HB   THR  77           HB       THR  77   0.125  -9.445  -9.445
  579    HG1  THR  77           HG1      THR  77   2.701  -8.391  -8.391
  580   1HG2  THR  77          HG23      THR  77   0.493  -6.734  -6.734
  581   2HG2  THR  77          HG22      THR  77   1.413  -7.057  -7.057
  582   3HG2  THR  77          HG21      THR  77  -0.326  -7.351  -7.351
  583    H    SER  78           HN       SER  78   0.852  -6.707  -6.707
  584    HA   SER  78           HA       SER  78  -2.062  -6.466  -6.466
  585   1HB   SER  78           HB1      SER  78  -1.753  -5.878  -5.878
  586   2HB   SER  78           HB2      SER  78  -0.095  -6.442  -6.442
  587    HG   SER  78           HG       SER  78  -0.730  -4.078  -4.078
  588    HA   PRO  79           HA       PRO  79  -2.504  -2.497  -2.497
  589   1HB   PRO  79           HB1      PRO  79  -2.265  -1.119  -1.119
  590   2HB   PRO  79           HB2      PRO  79  -3.505  -0.947  -0.947
  591   1HG   PRO  79           HG2      PRO  79  -3.977  -2.336  -2.336
  592   2HG   PRO  79           HG1      PRO  79  -4.633  -2.854  -2.854
  593   1HD   PRO  79           HD2      PRO  79  -2.397  -3.983  -3.983
  594   2HD   PRO  79           HD1      PRO  79  -3.522  -4.794  -4.794
  595    H    VAL  80           HN       VAL  80  -0.280  -2.135  -2.135
  596    HA   VAL  80           HA       VAL  80   1.302  -0.113  -0.113
  597    HB   VAL  80           HB       VAL  80   1.304  -1.721  -1.721
  598   1HG1  VAL  80          HG11      VAL  80   2.876  -3.273  -3.273
  599   2HG1  VAL  80          HG13      VAL  80   4.026  -1.946  -1.946
  600   3HG1  VAL  80          HG12      VAL  80   3.546  -2.518  -2.518
  601   1HG2  VAL  80          HG23      VAL  80   3.117   0.497   0.497
  602   2HG2  VAL  80          HG22      VAL  80   1.652   0.609   0.609
  603   3HG2  VAL  80          HG21      VAL  80   3.102  -0.139  -0.139
  604    H    HIS  81           HN       HIS  81   1.782  -3.625  -3.625
  605    HA   HIS  81           HA       HIS  81   4.170  -3.615  -3.615
  606   1HB   HIS  81           HB2      HIS  81   1.798  -5.472  -5.472
  607   2HB   HIS  81           HB1      HIS  81   3.333  -5.774  -5.774
  608    HD2  HIS  81           HD2      HIS  81   4.812  -7.467  -7.467
  609    HE1  HIS  81           HE1      HIS  81   3.493  -6.296  -6.296
  610    HE2  HIS  81           HE2      HIS  81   5.150  -7.719  -7.719
  611    H    ASP  82           HN       ASP  82   0.935  -3.848  -3.848
  612    HA   ASP  82           HA       ASP  82   1.771  -3.502  -3.502
  613   1HB   ASP  82           HB1      ASP  82  -0.848  -2.327  -2.327
  614   2HB   ASP  82           HB2      ASP  82  -0.647  -3.917  -3.917
  615    H    ALA  83           HN       ALA  83   0.421  -1.070  -1.070
  616    HA   ALA  83           HA       ALA  83   0.569   1.146   1.146
  617   1HB   ALA  83           HB2      ALA  83   0.896   0.903   0.903
  618   2HB   ALA  83           HB1      ALA  83   0.804   2.453   2.453
  619   3HB   ALA  83           HB3      ALA  83  -0.554   1.331   1.331
  620    H    ALA  84           HN       ALA  84   3.129  -0.318  -0.318
  621    HA   ALA  84           HA       ALA  84   5.044   1.721   1.721
  622   1HB   ALA  84           HB1      ALA  84   5.235  -1.197  -1.197
  623   2HB   ALA  84           HB3      ALA  84   6.682  -0.209  -0.209
  624   3HB   ALA  84           HB2      ALA  84   5.509   0.199   0.199
  625    H    ARG  85           HN       ARG  85   4.462  -1.271  -1.271
  626    HA   ARG  85           HA       ARG  85   6.554  -0.771  -0.771
  627   1HB   ARG  85           HB1      ARG  85   5.957  -3.039  -3.039
  628   2HB   ARG  85           HB2      ARG  85   4.248  -2.706  -2.706
  629   1HG   ARG  85           HG1      ARG  85   4.750  -2.162  -2.162
  630   2HG   ARG  85           HG2      ARG  85   6.424  -2.642  -2.642
  631   1HD   ARG  85           HD2      ARG  85   5.894  -4.870  -4.870
  632   2HD   ARG  85           HD1      ARG  85   4.234  -4.535  -4.535
  633    HE   ARG  85           HE       ARG  85   5.256  -4.721  -4.721
  634   1HH1  ARG  85          HH11      ARG  85   2.627  -3.804  -3.804
  635   2HH1  ARG  85          HH12      ARG  85   1.439  -3.845  -3.845
  636   1HH2  ARG  85          HH21      ARG  85   3.699  -4.777  -4.777
  637   2HH2  ARG  85          HH22      ARG  85   2.048  -4.398  -4.398
  638    H    THR  86           HN       THR  86   3.191   0.097   0.097
  639    HA   THR  86           HA       THR  86   2.809   0.707   0.707
  640    HB   THR  86           HB       THR  86   0.746   1.737   1.737
  641    HG1  THR  86           HG1      THR  86   1.990   1.885   1.885
  642   1HG2  THR  86          HG21      THR  86   1.456  -0.850  -0.850
  643   2HG2  THR  86          HG23      THR  86   0.297  -0.067  -0.067
  644   3HG2  THR  86          HG22      THR  86  -0.085  -0.273  -0.273
  645    H    GLY  87           HN       GLY  87   3.716   2.617   2.617
  646   1HA   GLY  87           HA1      GLY  87   5.181   4.481   4.481
  647   2HA   GLY  87           HA2      GLY  87   4.760   4.675   4.675
  648    H    PHE  88           HN       PHE  88   3.323   4.852   4.852
  649    HA   PHE  88           HA       PHE  88   2.020   7.349   7.349
  650   1HB   PHE  88           HB2      PHE  88   0.584   4.856   4.856
  651   2HB   PHE  88           HB1      PHE  88  -0.099   6.450   6.450
  652    HD1  PHE  88           HD2      PHE  88   0.967   4.096   4.096
  653    HD2  PHE  88           HD1      PHE  88  -1.134   7.694   7.694
  654    HE1  PHE  88           HE2      PHE  88   0.022   4.113   4.113
  655    HE2  PHE  88           HE1      PHE  88  -2.083   7.719   7.719
  656    HZ   PHE  88           HZ       PHE  88  -1.509   5.928   5.928
  657    H    LEU  89           HN       LEU  89   4.145   7.361   7.361
  658    HA   LEU  89           HA       LEU  89   3.956   6.843   6.843
  659   1HB   LEU  89           HB1      LEU  89   6.057   7.501   7.501
  660   2HB   LEU  89           HB2      LEU  89   5.430   8.903   8.903
  661    HG   LEU  89           HG       LEU  89   4.890   9.824   9.824
  662   1HD1  LEU  89          HD21      LEU  89   5.352   7.539   7.539
  663   2HD1  LEU  89          HD23      LEU  89   7.060   7.928   7.928
  664   3HD1  LEU  89          HD22      LEU  89   6.038   8.951   8.951
  665   1HD2  LEU  89          HD12      LEU  89   6.718  10.554  10.554
  666   2HD2  LEU  89          HD11      LEU  89   6.998  10.876  10.876
  667   3HD2  LEU  89          HD13      LEU  89   7.806   9.519   9.519
  668    H    ASP  90           HN       ASP  90   2.281   9.198   9.198
  669    HA   ASP  90           HA       ASP  90   1.756  11.121  11.121
  670   1HB   ASP  90           HB1      ASP  90  -0.074  11.856  11.856
  671   2HB   ASP  90           HB2      ASP  90  -0.005  10.345  10.345
  672    H    THR  91           HN       THR  91  -0.636   8.827   8.827
  673    HA   THR  91           HA       THR  91  -2.225   8.966   8.966
  674    HB   THR  91           HB       THR  91  -2.451   6.880   6.880
  675    HG1  THR  91           HG1      THR  91  -2.678   9.538   9.538
  676   1HG2  THR  91          HG21      THR  91  -4.465   8.136   8.136
  677   2HG2  THR  91          HG23      THR  91  -4.876   7.114   7.114
  678   3HG2  THR  91          HG22      THR  91  -3.943   6.452   6.452
  679    H    LEU  92           HN       LEU  92   0.403   7.043   7.043
  680    HA   LEU  92           HA       LEU  92  -0.073   4.753   4.753
  681   1HB   LEU  92           HB1      LEU  92   1.406   4.640   4.640
  682   2HB   LEU  92           HB2      LEU  92   2.467   5.841   5.841
  683    HG   LEU  92           HG       LEU  92   2.967   4.244   4.244
  684   1HD1  LEU  92          HD22      LEU  92   0.806   2.809   2.809
  685   2HD1  LEU  92          HD21      LEU  92   2.260   1.811   1.811
  686   3HD1  LEU  92          HD23      LEU  92   1.639   2.492   2.492
  687   1HD2  LEU  92          HD13      LEU  92   4.395   4.492   4.492
  688   2HD2  LEU  92          HD12      LEU  92   4.487   2.896   2.896
  689   3HD2  LEU  92          HD11      LEU  92   3.539   3.130   3.130
  690    H    LYS  93           HN       LYS  93   1.839   7.701   7.701
  691    HA   LYS  93           HA       LYS  93   3.018   7.109   7.109
  692   1HB   LYS  93           HB2      LYS  93   3.871   8.921   8.921
  693   2HB   LYS  93           HB1      LYS  93   2.306   9.722   9.722
  694   1HG   LYS  93           HG1      LYS  93   2.464  10.234  10.234
  695   2HG   LYS  93           HG2      LYS  93   3.952   9.293   9.293
  696   1HD   LYS  93           HD1      LYS  93   4.326  11.748  11.748
  697   2HD   LYS  93           HD2      LYS  93   5.127  10.825  10.825
  698   1HE   LYS  93           HE1      LYS  93   3.995  12.911  12.911
  699   2HE   LYS  93           HE2      LYS  93   3.471  11.437  11.437
  700   1HZ   LYS  93           HZ2      LYS  93   1.967  12.324  12.324
  701   2HZ   LYS  93           HZ1      LYS  93   1.755  13.180  13.180
  702   3HZ   LYS  93           HZ3      LYS  93   1.426  11.520  11.520
  703    H    VAL  94           HN       VAL  94  -0.027   8.762   8.762
  704    HA   VAL  94           HA       VAL  94  -0.767   9.536   9.536
  705    HB   VAL  94           HB       VAL  94  -3.107   8.533   8.533
  706   1HG1  VAL  94          HG11      VAL  94  -2.060  11.282  11.282
  707   2HG1  VAL  94          HG13      VAL  94  -3.678  10.955  10.955
  708   3HG1  VAL  94          HG12      VAL  94  -3.192  10.321  10.321
  709   1HG2  VAL  94          HG23      VAL  94  -1.723   8.640   8.640
  710   2HG2  VAL  94          HG22      VAL  94  -2.999   9.855   9.855
  711   3HG2  VAL  94          HG21      VAL  94  -1.339  10.322  10.322
  712    H    LEU  95           HN       LEU  95  -1.584   6.483   6.483
  713    HA   LEU  95           HA       LEU  95  -2.740   5.333   5.333
  714   1HB   LEU  95           HB1      LEU  95  -2.658   3.212   3.212
  715   2HB   LEU  95           HB2      LEU  95  -3.552   4.535   4.535
  716    HG   LEU  95           HG       LEU  95  -1.044   4.876   4.876
  717   1HD1  LEU  95          HD11      LEU  95  -0.566   2.583   2.583
  718   2HD1  LEU  95          HD13      LEU  95  -1.559   1.939   1.939
  719   3HD1  LEU  95          HD12      LEU  95  -0.094   2.847   2.847
  720   1HD2  LEU  95          HD21      LEU  95  -3.500   4.710   4.710
  721   2HD2  LEU  95          HD23      LEU  95  -2.090   4.521   4.521
  722   3HD2  LEU  95          HD22      LEU  95  -2.955   3.098   3.098
  723    H    VAL  96           HN       VAL  96   0.377   5.027   5.027
  724    HA   VAL  96           HA       VAL  96   1.435   2.997   2.997
  725    HB   VAL  96           HB       VAL  96   2.642   5.017   5.017
  726   1HG1  VAL  96          HG13      VAL  96   4.149   3.333   3.333
  727   2HG1  VAL  96          HG12      VAL  96   4.875   3.871   3.871
  728   3HG1  VAL  96          HG11      VAL  96   4.319   5.057   5.057
  729   1HG2  VAL  96          HG23      VAL  96   1.578   2.776   2.776
  730   2HG2  VAL  96          HG22      VAL  96   3.161   3.166   3.166
  731   3HG2  VAL  96          HG21      VAL  96   3.030   2.047   2.047
  732    H    GLU  97           HN       GLU  97   1.905   6.530   6.530
  733    HA   GLU  97           HA       GLU  97   3.529   6.618   6.618
  734   1HB   GLU  97           HB2      GLU  97   3.000   8.924   8.924
  735   2HB   GLU  97           HB1      GLU  97   2.933   8.528   8.528
  736   1HG   GLU  97           HG2      GLU  97   0.437   8.421   8.421
  737   2HG   GLU  97           HG1      GLU  97   1.074   9.983   9.983
  738    H    HIS  98           HN       HIS  98   0.098   6.138   6.138
  739    HA   HIS  98           HA       HIS  98  -0.542   6.676   6.676
  740   1HB   HIS  98           HB1      HIS  98  -2.160   6.729   6.729
  741   2HB   HIS  98           HB2      HIS  98  -2.126   4.968   4.968
  742    HD2  HIS  98           HD2      HIS  98  -2.826   4.000   4.000
  743    HE1  HIS  98           HE1      HIS  98  -5.595   7.184   7.184
  744    HE2  HIS  98           HE2      HIS  98  -4.753   5.036   5.036
  745    H    GLY  99           HN       GLY  99  -0.333   3.623   3.623
  746   1HA   GLY  99           HA2      GLY  99   1.143   2.184   2.184
  747   2HA   GLY  99           HA1      GLY  99  -0.526   2.003   2.003
  748    H    ALA 100           HN       ALA 100   0.513   2.288   2.288
  749    HA   ALA 100           HA       ALA 100  -0.922  -0.047  -0.047
  750   1HB   ALA 100           HB3      ALA 100  -0.313   2.050   2.050
  751   2HB   ALA 100           HB2      ALA 100   1.184   1.181   1.181
  752   3HB   ALA 100           HB1      ALA 100  -0.366   0.472   0.472
  753    H    ASP 101           HN       ASP 101  -0.309  -2.085  -2.085
  754    HA   ASP 101           HA       ASP 101   1.868  -3.128  -3.128
  755   1HB   ASP 101           HB2      ASP 101   1.096  -4.613  -4.613
  756   2HB   ASP 101           HB1      ASP 101  -0.219  -4.213  -4.213
  757    H    VAL 102           HN       VAL 102   3.784  -2.034  -2.034
  758    HA   VAL 102           HA       VAL 102   4.909  -2.234  -2.234
  759    HB   VAL 102           HB       VAL 102   6.672  -0.629  -0.629
  760   1HG1  VAL 102          HG13      VAL 102   4.870  -0.310  -0.310
  761   2HG1  VAL 102          HG12      VAL 102   4.118   0.715   0.715
  762   3HG1  VAL 102          HG11      VAL 102   5.761   1.054   1.054
  763   1HG2  VAL 102          HG22      VAL 102   5.388  -0.874  -0.874
  764   2HG2  VAL 102          HG21      VAL 102   5.806   0.763   0.763
  765   3HG2  VAL 102          HG23      VAL 102   4.165   0.162   0.162
  766    H    ASN 103           HN       ASN 103   4.831  -4.181  -4.181
  767    HA   ASN 103           HA       ASN 103   7.598  -5.052  -5.052
  768   1HB   ASN 103           HB1      ASN 103   6.277  -4.619  -4.619
  769   2HB   ASN 103           HB2      ASN 103   7.775  -5.517  -5.517
  770   1HD2  ASN 103          HD22      ASN 103   7.723  -1.451  -1.451
  771   2HD2  ASN 103          HD21      ASN 103   6.265  -2.369  -2.369
  772    H    ALA 104           HN       ALA 104   5.222  -6.061  -6.061
  773    HA   ALA 104           HA       ALA 104   5.136  -8.714  -8.714
  774   1HB   ALA 104           HB1      ALA 104   2.882  -6.935  -6.935
  775   2HB   ALA 104           HB3      ALA 104   2.688  -8.659  -8.659
  776   3HB   ALA 104           HB2      ALA 104   3.030  -8.099  -8.099
  777    H    LEU 105           HN       LEU 105   5.789 -10.253 -10.253
  778    HA   LEU 105           HA       LEU 105   5.479  -9.821  -9.821
  779   1HB   LEU 105           HB1      LEU 105   7.557 -11.713 -11.713
  780   2HB   LEU 105           HB2      LEU 105   7.588 -10.524 -10.524
  781    HG   LEU 105           HG       LEU 105   7.634  -9.273  -9.273
  782   1HD1  LEU 105          HD11      LEU 105   8.864 -11.592 -11.592
  783   2HD1  LEU 105          HD13      LEU 105  10.153 -10.721 -10.721
  784   3HD1  LEU 105          HD12      LEU 105   9.536 -10.122 -10.122
  785   1HD2  LEU 105          HD22      LEU 105   8.225  -8.404  -8.404
  786   2HD2  LEU 105          HD21      LEU 105   9.199  -7.894  -7.894
  787   3HD2  LEU 105          HD23      LEU 105   9.789  -9.161  -9.161
  788    H    ASP 106           HN       ASP 106   4.850 -11.571 -11.571
  789    HA   ASP 106           HA       ASP 106   4.393 -14.145 -14.145
  790   1HB   ASP 106           HB1      ASP 106   1.891 -13.749 -13.749
  791   2HB   ASP 106           HB2      ASP 106   2.234 -12.191 -12.191
  792    H    SER 107           HN       SER 107   4.283 -15.779 -15.779
  793    HA   SER 107           HA       SER 107   4.759 -16.797 -16.797
  794   1HB   SER 107           HB2      SER 107   2.773 -14.720 -14.720
  795   2HB   SER 107           HB1      SER 107   3.278 -16.130 -16.130
  796    HG   SER 107           HG       SER 107   2.119 -17.400 -17.400
  797    H    THR 108           HN       THR 108   6.421 -14.475 -14.475
  798    HA   THR 108           HA       THR 108   7.927 -14.261 -14.261
  799    HB   THR 108           HB       THR 108   7.785 -11.584 -11.584
  800    HG1  THR 108           HG1      THR 108   5.203 -12.631 -12.631
  801   1HG2  THR 108          HG21      THR 108   6.984 -13.346 -13.346
  802   2HG2  THR 108          HG23      THR 108   5.623 -12.260 -12.260
  803   3HG2  THR 108          HG22      THR 108   7.212 -11.601 -11.601
  804    H    GLY 109           HN       GLY 109   7.356 -13.021 -13.021
  805   1HA   GLY 109           HA1      GLY 109   8.808 -12.744 -12.744
  806   2HA   GLY 109           HA2      GLY 109   9.993 -13.660 -13.660
  807    H    SER 110           HN       SER 110   8.814 -11.030 -11.030
  808    HA   SER 110           HA       SER 110  11.270  -9.529  -9.529
  809   1HB   SER 110           HB1      SER 110  10.605 -10.364 -10.364
  810   2HB   SER 110           HB2      SER 110   9.505  -8.986  -8.986
  811    HG   SER 110           HG       SER 110  11.156  -7.793  -7.793
  812    H    LEU 111           HN       LEU 111  11.189  -7.584  -7.584
  813    HA   LEU 111           HA       LEU 111   8.774  -6.565  -6.565
  814   1HB   LEU 111           HB1      LEU 111  11.561  -5.466  -5.466
  815   2HB   LEU 111           HB2      LEU 111  10.258  -4.507  -4.507
  816    HG   LEU 111           HG       LEU 111  10.944  -7.225  -7.225
  817   1HD1  LEU 111          HD13      LEU 111  12.727  -5.142  -5.142
  818   2HD1  LEU 111          HD12      LEU 111  11.908  -4.939  -4.939
  819   3HD1  LEU 111          HD11      LEU 111  12.703  -6.465  -6.465
  820   1HD2  LEU 111          HD23      LEU 111   8.857  -5.465  -5.465
  821   2HD2  LEU 111          HD22      LEU 111   9.349  -6.816  -6.816
  822   3HD2  LEU 111          HD21      LEU 111   9.969  -5.197  -5.197
  823    HA   PRO 112           HA       PRO 112   6.932  -4.163  -4.163
  824   1HB   PRO 112           HB2      PRO 112   6.835  -1.989  -1.989
  825   2HB   PRO 112           HB1      PRO 112   5.541  -2.641  -2.641
  826   1HG   PRO 112           HG1      PRO 112   5.706  -3.293  -3.293
  827   2HG   PRO 112           HG2      PRO 112   5.233  -4.496  -4.496
  828   1HD   PRO 112           HD2      PRO 112   7.824  -4.170  -4.170
  829   2HD   PRO 112           HD1      PRO 112   7.009  -5.652  -5.652
  830    H    ILE 113           HN       ILE 113   9.538  -2.787  -2.787
  831    HA   ILE 113           HA       ILE 113  10.085  -0.587  -0.587
  832    HB   ILE 113           HB       ILE 113  10.898  -0.450  -0.450
  833   1HG1  ILE 113          HG12      ILE 113  13.170  -0.891  -0.891
  834   2HG1  ILE 113          HG11      ILE 113  12.347   0.629   0.629
  835   1HG2  ILE 113          HG21      ILE 113  11.383  -3.183  -3.183
  836   2HG2  ILE 113          HG23      ILE 113  12.966  -2.453  -2.453
  837   3HG2  ILE 113          HG22      ILE 113  11.668  -2.188  -2.188
  838   1HD1  ILE 113          HD12      ILE 113  13.342  -0.369  -0.369
  839   2HD1  ILE 113          HD11      ILE 113  14.634  -0.472  -0.472
  840   3HD1  ILE 113          HD13      ILE 113  13.839   1.072   1.072
  841    H    HIS 114           HN       HIS 114  11.279  -3.895  -3.895
  842    HA   HIS 114           HA       HIS 114  13.449  -3.769  -3.769
  843   1HB   HIS 114           HB1      HIS 114  11.456  -5.978  -5.978
  844   2HB   HIS 114           HB2      HIS 114  12.879  -6.196  -6.196
  845    HD2  HIS 114           HD2      HIS 114  15.338  -5.418  -5.418
  846    HE1  HIS 114           HE1      HIS 114  13.577  -7.000  -7.000
  847    HE2  HIS 114           HE2      HIS 114  15.759  -6.394  -6.394
  848    H    LEU 115           HN       LEU 115  10.017  -4.044  -4.044
  849    HA   LEU 115           HA       LEU 115  10.324  -4.487  -4.487
  850   1HB   LEU 115           HB2      LEU 115   7.954  -3.027  -3.027
  851   2HB   LEU 115           HB1      LEU 115   8.030  -4.283  -4.283
  852    HG   LEU 115           HG       LEU 115   8.179  -4.613  -4.613
  853   1HD1  LEU 115          HD12      LEU 115   5.949  -4.398  -4.398
  854   2HD1  LEU 115          HD11      LEU 115   6.321  -5.827  -5.827
  855   3HD1  LEU 115          HD13      LEU 115   6.209  -5.951  -5.951
  856   1HD2  LEU 115          HD22      LEU 115   9.310  -6.273  -6.273
  857   2HD2  LEU 115          HD21      LEU 115   9.563  -6.323  -6.323
  858   3HD2  LEU 115          HD23      LEU 115   8.172  -7.140  -7.140
  859    H    ALA 116           HN       ALA 116   9.424  -1.515  -1.515
  860    HA   ALA 116           HA       ALA 116   9.465   0.230   0.230
  861   1HB   ALA 116           HB2      ALA 116   8.713   0.713   0.713
  862   2HB   ALA 116           HB1      ALA 116  10.411   0.971   0.971
  863   3HB   ALA 116           HB3      ALA 116   9.619   2.001   2.001
  864    H    ILE 117           HN       ILE 117  12.089  -1.206  -1.206
  865    HA   ILE 117           HA       ILE 117  14.156   0.551   0.551
  866    HB   ILE 117           HB       ILE 117  14.218  -2.347  -2.347
  867   1HG1  ILE 117          HG12      ILE 117  13.603  -0.354  -0.354
  868   2HG1  ILE 117          HG11      ILE 117  14.736  -1.587  -1.587
  869   1HG2  ILE 117          HG22      ILE 117  16.395  -0.555  -0.555
  870   2HG2  ILE 117          HG21      ILE 117  16.732  -1.653  -1.653
  871   3HG2  ILE 117          HG23      ILE 117  16.188  -2.294  -2.294
  872   1HD1  ILE 117          HD13      ILE 117  15.987   0.672   0.672
  873   2HD1  ILE 117          HD12      ILE 117  15.161   1.084   1.084
  874   3HD1  ILE 117          HD11      ILE 117  16.430  -0.140  -0.140
  875    H    ARG 118           HN       ARG 118  12.802  -2.366  -2.366
  876    HA   ARG 118           HA       ARG 118  14.727  -2.521  -2.521
  877   1HB   ARG 118           HB1      ARG 118  12.031  -3.661  -3.661
  878   2HB   ARG 118           HB2      ARG 118  13.614  -4.394  -4.394
  879   1HG   ARG 118           HG2      ARG 118  13.482  -4.127  -4.127
  880   2HG   ARG 118           HG1      ARG 118  11.805  -4.474  -4.474
  881   1HD   ARG 118           HD1      ARG 118  13.195  -6.266  -6.266
  882   2HD   ARG 118           HD2      ARG 118  14.156  -6.205  -6.205
  883    HE   ARG 118           HE       ARG 118  12.543  -7.490  -7.490
  884   1HH1  ARG 118          HH11      ARG 118  11.053  -5.514  -5.514
  885   2HH1  ARG 118          HH12      ARG 118   9.464  -6.150  -6.150
  886   1HH2  ARG 118          HH21      ARG 118  10.456  -8.336  -8.336
  887   2HH2  ARG 118          HH22      ARG 118   9.124  -7.754  -7.754
  888    H    GLU 119           HN       GLU 119  11.990  -0.578  -0.578
  889    HA   GLU 119           HA       GLU 119  11.551   0.022   0.022
  890   1HB   GLU 119           HB1      GLU 119  10.231   1.336   1.336
  891   2HB   GLU 119           HB2      GLU 119   9.660   1.291   1.291
  892   1HG   GLU 119           HG2      GLU 119   9.894  -1.096  -1.096
  893   2HG   GLU 119           HG1      GLU 119   8.407  -0.211  -0.211
  894    H    GLY 120           HN       GLY 120  12.357   1.858   1.858
  895   1HA   GLY 120           HA2      GLY 120  13.975   3.538   3.538
  896   2HA   GLY 120           HA1      GLY 120  14.183   3.510   3.510
  897    H    HIS 121           HN       HIS 121  11.273   3.954   3.954
  898    HA   HIS 121           HA       HIS 121  10.422   6.156   6.156
  899   1HB   HIS 121           HB2      HIS 121   9.284   4.977   4.977
  900   2HB   HIS 121           HB1      HIS 121   8.501   6.234   6.234
  901    HD2  HIS 121           HD2      HIS 121   8.712   2.460   2.460
  902    HE1  HIS 121           HE1      HIS 121   6.974   3.413   3.413
  903    HE2  HIS 121           HE2      HIS 121   7.608   1.535   1.535
  904    H    SER 122           HN       SER 122  12.759   6.058   6.058
  905    HA   SER 122           HA       SER 122  13.913   7.665   7.665
  906   1HB   SER 122           HB2      SER 122  13.423   9.191   9.191
  907   2HB   SER 122           HB1      SER 122  11.817   9.512   9.512
  908    HG   SER 122           HG       SER 122  12.988  10.286  10.286
  909    H    SER 123           HN       SER 123  10.986   9.497   9.497
  910    HA   SER 123           HA       SER 123  11.214   9.667   9.667
  911   1HB   SER 123           HB2      SER 123   9.548  10.760  10.760
  912   2HB   SER 123           HB1      SER 123   8.441   9.659   9.659
  913    HG   SER 123           HG       SER 123   9.825  11.879  11.879
  914    H    VAL 124           HN       VAL 124   8.979   7.538   7.538
  915    HA   VAL 124           HA       VAL 124   7.913   6.181   6.181
  916    HB   VAL 124           HB       VAL 124   8.398   4.354   4.354
  917   1HG1  VAL 124          HG23      VAL 124   6.307   5.162   5.162
  918   2HG1  VAL 124          HG22      VAL 124   5.703   4.980   4.980
  919   3HG1  VAL 124          HG21      VAL 124   6.528   3.636   3.636
  920   1HG2  VAL 124          HG11      VAL 124   8.535   6.453   6.453
  921   2HG2  VAL 124          HG13      VAL 124   7.097   5.520   5.520
  922   3HG2  VAL 124          HG12      VAL 124   6.967   6.932   6.932
  923    H    VAL 125           HN       VAL 125  10.572   4.948   4.948
  924    HA   VAL 125           HA       VAL 125  11.274   2.776   2.776
  925    HB   VAL 125           HB       VAL 125  13.339   4.452   4.452
  926   1HG1  VAL 125          HG13      VAL 125  14.038   2.460   2.460
  927   2HG1  VAL 125          HG12      VAL 125  13.053   1.463   1.463
  928   3HG1  VAL 125          HG11      VAL 125  14.431   2.355   2.355
  929   1HG2  VAL 125          HG21      VAL 125  11.211   2.703   2.703
  930   2HG2  VAL 125          HG23      VAL 125  11.629   4.366   4.366
  931   3HG2  VAL 125          HG22      VAL 125  12.725   3.050   3.050
  932    H    SER 126           HN       SER 126  12.415   6.121   6.121
  933    HA   SER 126           HA       SER 126  14.213   5.606   5.606
  934   1HB   SER 126           HB1      SER 126  14.683   7.498   7.498
  935   2HB   SER 126           HB2      SER 126  13.055   8.141   8.141
  936    HG   SER 126           HG       SER 126  13.545   8.572   8.572
  937    H    PHE 127           HN       PHE 127  10.867   6.474   6.474
  938    HA   PHE 127           HA       PHE 127  10.563   7.293   7.293
  939   1HB   PHE 127           HB2      PHE 127   8.999   8.113   8.113
  940   2HB   PHE 127           HB1      PHE 127   8.553   6.474   6.474
  941    HD1  PHE 127           HD2      PHE 127   8.626   8.658   8.658
  942    HD2  PHE 127           HD1      PHE 127   6.621   5.582   5.582
  943    HE1  PHE 127           HE2      PHE 127   6.801   8.686   8.686
  944    HE2  PHE 127           HE1      PHE 127   4.791   5.604   5.604
  945    HZ   PHE 127           HZ       PHE 127   4.880   7.159   7.159
  946    H    LEU 128           HN       LEU 128   9.968   4.293   4.293
  947    HA   LEU 128           HA       LEU 128   8.800   2.882   2.882
  948   1HB   LEU 128           HB2      LEU 128   9.438   2.385   2.385
  949   2HB   LEU 128           HB1      LEU 128  10.184   1.107   1.107
  950    HG   LEU 128           HG       LEU 128   7.862   0.625   0.625
  951   1HD1  LEU 128          HD11      LEU 128   8.818   0.345   0.345
  952   2HD1  LEU 128          HD13      LEU 128   7.109   0.009   0.009
  953   3HD1  LEU 128          HD12      LEU 128   8.339  -0.886  -0.886
  954   1HD2  LEU 128          HD21      LEU 128   7.042   2.962   2.962
  955   2HD2  LEU 128          HD23      LEU 128   5.977   1.641   1.641
  956   3HD2  LEU 128          HD22      LEU 128   6.960   2.462   2.462
  957    H    ALA 129           HN       ALA 129  11.921   3.982   3.982
  958    HA   ALA 129           HA       ALA 129  13.454   1.832   1.832
  959   1HB   ALA 129           HB1      ALA 129  13.842   4.727   4.727
  960   2HB   ALA 129           HB3      ALA 129  14.865   3.965   3.965
  961   3HB   ALA 129           HB2      ALA 129  14.880   3.375   3.375
  962    HA   PRO 130           HA       PRO 130  13.142   3.721   3.721
  963   1HB   PRO 130           HB1      PRO 130  11.545   5.901   5.901
  964   2HB   PRO 130           HB2      PRO 130  13.263   6.010   6.010
  965   1HG   PRO 130           HG1      PRO 130  10.887   6.236   6.236
  966   2HG   PRO 130           HG2      PRO 130  12.362   7.218   7.218
  967   1HD   PRO 130           HD2      PRO 130  11.988   5.244   5.244
  968   2HD   PRO 130           HD1      PRO 130  13.591   5.636   5.636
  969    H    GLU 131           HN       GLU 131  10.187   4.093   4.093
  970    HA   GLU 131           HA       GLU 131   8.349   3.477   3.477
  971   1HB   GLU 131           HB1      GLU 131   8.035   2.909   2.909
  972   2HB   GLU 131           HB2      GLU 131   6.745   3.106   3.106
  973   1HG   GLU 131           HG2      GLU 131   8.703   5.282   5.282
  974   2HG   GLU 131           HG1      GLU 131   7.157   5.068   5.068
  975    H    SER 132           HN       SER 132  10.495   1.494   1.494
  976    HA   SER 132           HA       SER 132   9.142  -0.925  -0.925
  977   1HB   SER 132           HB1      SER 132  10.923  -0.510  -0.510
  978   2HB   SER 132           HB2      SER 132  10.496  -2.109  -2.109
  979    HG   SER 132           HG       SER 132   8.311  -0.532  -0.532
  980    H    ASP 133           HN       ASP 133  10.360  -2.537  -2.537
  981    HA   ASP 133           HA       ASP 133  12.162  -1.946  -1.946
  982   1HB   ASP 133           HB2      ASP 133  11.524  -4.377  -4.377
  983   2HB   ASP 133           HB1      ASP 133  13.172  -4.375  -4.375
  984    H    LEU 134           HN       LEU 134  13.936  -0.739  -0.739
  985    HA   LEU 134           HA       LEU 134  15.564  -0.613  -0.613
  986   1HB   LEU 134           HB1      LEU 134  15.354   0.822   0.822
  987   2HB   LEU 134           HB2      LEU 134  16.974   0.721   0.721
  988    HG   LEU 134           HG       LEU 134  14.559   2.050   2.050
  989   1HD1  LEU 134          HD12      LEU 134  16.662   2.975   2.975
  990   2HD1  LEU 134          HD11      LEU 134  17.134   3.378   3.378
  991   3HD1  LEU 134          HD13      LEU 134  15.596   3.953   3.953
  992   1HD2  LEU 134          HD22      LEU 134  16.764   0.742   0.742
  993   2HD2  LEU 134          HD21      LEU 134  15.199   1.290   1.290
  994   3HD2  LEU 134          HD23      LEU 134  16.532   2.434   2.434
  995    H    HIS 135           HN       HIS 135  15.879  -3.081  -3.081
  996    HA   HIS 135           HA       HIS 135  18.497  -3.691  -3.691
  997   1HB   HIS 135           HB2      HIS 135  18.460  -4.867  -4.867
  998   2HB   HIS 135           HB1      HIS 135  18.605  -3.113  -3.113
  999    HD2  HIS 135           HD2      HIS 135  15.841  -5.818  -5.818
 1000    HE1  HIS 135           HE1      HIS 135  14.837  -2.185  -2.185
 1001    HE2  HIS 135           HE2      HIS 135  14.302  -4.657  -4.657
 1002    H    HIS 136           HN       HIS 136  15.232  -4.812  -4.812
 1003    HA   HIS 136           HA       HIS 136  15.529  -7.539  -7.539
 1004   1HB   HIS 136           HB2      HIS 136  13.388  -6.237  -6.237
 1005   2HB   HIS 136           HB1      HIS 136  13.302  -6.077  -6.077
 1006    HD2  HIS 136           HD2      HIS 136  11.729  -7.937  -7.937
 1007    HE1  HIS 136           HE1      HIS 136  12.378 -10.959 -10.959
 1008    HE2  HIS 136           HE2      HIS 136  11.285 -10.403 -10.403
 1009    H    ARG 137           HN       ARG 137  15.657  -9.118  -9.118
 1010    HA   ARG 137           HA       ARG 137  16.602  -8.179  -8.179
 1011   1HB   ARG 137           HB1      ARG 137  17.586 -10.103 -10.103
 1012   2HB   ARG 137           HB2      ARG 137  16.887 -11.026 -11.026
 1013   1HG   ARG 137           HG1      ARG 137  18.341 -10.120 -10.120
 1014   2HG   ARG 137           HG2      ARG 137  18.741  -8.743  -8.743
 1015   1HD   ARG 137           HD2      ARG 137  19.578 -11.612 -11.612
 1016   2HD   ARG 137           HD1      ARG 137  20.612 -10.244 -10.244
 1017    HE   ARG 137           HE       ARG 137  19.628  -9.443  -9.443
 1018   1HH1  ARG 137          HH11      ARG 137  20.921 -12.526 -12.526
 1019   2HH1  ARG 137          HH12      ARG 137  21.506 -12.926 -12.926
 1020   1HH2  ARG 137          HH21      ARG 137  20.395  -9.958  -9.958
 1021   2HH2  ARG 137          HH22      ARG 137  21.207 -11.465 -11.465
 1022    H    ASP 138           HN       ASP 138  16.178  -9.985  -9.985
 1023    HA   ASP 138           HA       ASP 138  13.307 -10.643 -10.643
 1024   1HB   ASP 138           HB2      ASP 138  13.417  -8.923  -8.923
 1025   2HB   ASP 138           HB1      ASP 138  13.492 -10.379 -10.379
 1026    H    ALA 139           HN       ALA 139  12.647 -12.503 -12.503
 1027    HA   ALA 139           HA       ALA 139  14.128 -14.786 -14.786
 1028   1HB   ALA 139           HB3      ALA 139  11.908 -14.148 -14.148
 1029   2HB   ALA 139           HB2      ALA 139  12.694 -15.726 -15.726
 1030   3HB   ALA 139           HB1      ALA 139  11.900 -15.192 -15.192
 1031    H    SER 140           HN       SER 140  14.473 -12.419 -12.419
 1032    HA   SER 140           HA       SER 140  15.892 -13.996 -13.996
 1033   1HB   SER 140           HB2      SER 140  15.113 -11.194 -11.194
 1034   2HB   SER 140           HB1      SER 140  16.646 -11.418 -11.418
 1035    HG   SER 140           HG       SER 140  15.470 -12.951 -12.951
 1036    H    GLY 141           HN       GLY 141  16.955 -11.396 -11.396
 1037   1HA   GLY 141           HA2      GLY 141  18.893 -12.019 -12.019
 1038   2HA   GLY 141           HA1      GLY 141  19.633 -12.643 -12.643
 1039    H    LEU 142           HN       LEU 142  17.843  -9.614  -9.614
 1040    HA   LEU 142           HA       LEU 142  20.277  -8.056  -8.056
 1041   1HB   LEU 142           HB2      LEU 142  18.195  -7.443  -7.443
 1042   2HB   LEU 142           HB1      LEU 142  19.877  -6.951  -6.951
 1043    HG   LEU 142           HG       LEU 142  20.393  -9.465  -9.465
 1044   1HD1  LEU 142          HD21      LEU 142  17.488  -9.395  -9.395
 1045   2HD1  LEU 142          HD23      LEU 142  18.270 -10.144 -10.144
 1046   3HD1  LEU 142          HD22      LEU 142  18.579 -10.763 -10.763
 1047   1HD2  LEU 142          HD11      LEU 142  20.237  -7.332  -7.332
 1048   2HD2  LEU 142          HD13      LEU 142  20.830  -8.931  -8.931
 1049   3HD2  LEU 142          HD12      LEU 142  19.156  -8.484  -8.484
 1050    H    THR 143           HN       THR 143  20.020  -6.623  -6.623
 1051    HA   THR 143           HA       THR 143  17.392  -5.766  -5.766
 1052    HB   THR 143           HB       THR 143  18.391  -5.164  -5.164
 1053    HG1  THR 143           HG1      THR 143  19.983  -3.755  -3.755
 1054   1HG2  THR 143          HG23      THR 143  19.649  -7.341  -7.341
 1055   2HG2  THR 143          HG22      THR 143  21.015  -6.269  -6.269
 1056   3HG2  THR 143          HG21      THR 143  19.901  -6.685  -6.685
 1057    HA   PRO 144           HA       PRO 144  16.953  -1.605  -1.605
 1058   1HB   PRO 144           HB1      PRO 144  18.565  -0.486  -0.486
 1059   2HB   PRO 144           HB2      PRO 144  17.023   0.069   0.069
 1060   1HG   PRO 144           HG2      PRO 144  17.095  -1.328  -1.328
 1061   2HG   PRO 144           HG1      PRO 144  15.816  -1.608  -1.608
 1062   1HD   PRO 144           HD2      PRO 144  18.185  -3.275  -3.275
 1063   2HD   PRO 144           HD1      PRO 144  16.584  -3.771  -3.771
 1064    H    LEU 145           HN       LEU 145  20.186  -1.782  -1.782
 1065    HA   LEU 145           HA       LEU 145  21.398  -0.188  -0.188
 1066   1HB   LEU 145           HB1      LEU 145  22.297  -1.640  -1.640
 1067   2HB   LEU 145           HB2      LEU 145  23.508  -1.374  -1.374
 1068    HG   LEU 145           HG       LEU 145  21.906   0.749   0.749
 1069   1HD1  LEU 145          HD13      LEU 145  23.915  -0.485  -0.485
 1070   2HD1  LEU 145          HD12      LEU 145  24.881   0.503   0.503
 1071   3HD1  LEU 145          HD11      LEU 145  23.816   1.274   1.274
 1072   1HD2  LEU 145          HD23      LEU 145  23.500   0.808   0.808
 1073   2HD2  LEU 145          HD22      LEU 145  22.182   1.852   1.852
 1074   3HD2  LEU 145          HD21      LEU 145  23.812   2.102   2.102
 1075    H    GLU 146           HN       GLU 146  21.116  -3.640  -3.640
 1076    HA   GLU 146           HA       GLU 146  22.976  -4.529  -4.529
 1077   1HB   GLU 146           HB2      GLU 146  21.739  -5.819  -5.819
 1078   2HB   GLU 146           HB1      GLU 146  20.522  -6.111  -6.111
 1079   1HG   GLU 146           HG1      GLU 146  22.969  -6.727  -6.727
 1080   2HG   GLU 146           HG2      GLU 146  23.046  -7.410  -7.410
 1081    H    LEU 147           HN       LEU 147  19.412  -4.658  -4.658
 1082    HA   LEU 147           HA       LEU 147  19.246  -5.264  -5.264
 1083   1HB   LEU 147           HB2      LEU 147  17.447  -4.687  -4.687
 1084   2HB   LEU 147           HB1      LEU 147  17.183  -3.387  -3.387
 1085    HG   LEU 147           HG       LEU 147  16.761  -6.331  -6.331
 1086   1HD1  LEU 147          HD12      LEU 147  15.140  -3.972  -3.972
 1087   2HD1  LEU 147          HD11      LEU 147  14.810  -4.789  -4.789
 1088   3HD1  LEU 147          HD13      LEU 147  14.658  -5.669  -5.669
 1089   1HD2  LEU 147          HD23      LEU 147  17.213  -4.298  -4.298
 1090   2HD2  LEU 147          HD22      LEU 147  18.111  -5.790  -5.790
 1091   3HD2  LEU 147          HD21      LEU 147  16.433  -5.859  -5.859
 1092    H    ALA 148           HN       ALA 148  19.350  -2.064  -2.064
 1093    HA   ALA 148           HA       ALA 148  19.066  -0.504  -0.504
 1094   1HB   ALA 148           HB3      ALA 148  19.059   0.309   0.309
 1095   2HB   ALA 148           HB2      ALA 148  20.819   0.195   0.195
 1096   3HB   ALA 148           HB1      ALA 148  19.991   1.300   1.300
 1097    H    ARG 149           HN       ARG 149  21.840  -2.208  -2.208
 1098    HA   ARG 149           HA       ARG 149  23.821  -0.987  -0.987
 1099   1HB   ARG 149           HB1      ARG 149  23.941  -2.671  -2.671
 1100   2HB   ARG 149           HB2      ARG 149  24.120  -3.843  -3.843
 1101   1HG   ARG 149           HG1      ARG 149  25.829  -1.395  -1.395
 1102   2HG   ARG 149           HG2      ARG 149  26.223  -2.779  -2.779
 1103   1HD   ARG 149           HD1      ARG 149  26.703  -4.138  -4.138
 1104   2HD   ARG 149           HD2      ARG 149  25.639  -3.257  -3.257
 1105    HE   ARG 149           HE       ARG 149  27.425  -1.983  -1.983
 1106   1HH1  ARG 149          HH11      ARG 149  28.071  -3.376  -3.376
 1107   2HH1  ARG 149          HH12      ARG 149  29.688  -2.760  -2.760
 1108   1HH2  ARG 149          HH21      ARG 149  29.554  -1.168  -1.168
 1109   2HH2  ARG 149          HH22      ARG 149  30.530  -1.503  -1.503
 1110    H    GLN 150           HN       GLN 150  21.848  -3.903  -3.903
 1111    HA   GLN 150           HA       GLN 150  22.937  -4.786  -4.786
 1112   1HB   GLN 150           HB2      GLN 150  21.539  -6.304  -6.304
 1113   2HB   GLN 150           HB1      GLN 150  20.239  -5.130  -5.130
 1114   1HG   GLN 150           HG1      GLN 150  19.681  -6.840  -6.840
 1115   2HG   GLN 150           HG2      GLN 150  19.839  -5.268  -5.268
 1116   1HE2  GLN 150          HE22      GLN 150  22.956  -7.861  -7.861
 1117   2HE2  GLN 150          HE21      GLN 150  22.253  -7.655  -7.655
 1118    H    ARG 151           HN       ARG 151  19.773  -3.195  -3.195
 1119    HA   ARG 151           HA       ARG 151  19.733  -2.316  -2.316
 1120   1HB   ARG 151           HB2      ARG 151  17.819  -2.682  -2.682
 1121   2HB   ARG 151           HB1      ARG 151  17.927  -0.931  -0.931
 1122   1HG   ARG 151           HG2      ARG 151  16.300  -1.367  -1.367
 1123   2HG   ARG 151           HG1      ARG 151  17.738  -1.386  -1.386
 1124   1HD   ARG 151           HD2      ARG 151  16.717  -3.900  -3.900
 1125   2HD   ARG 151           HD1      ARG 151  16.014  -3.296  -3.296
 1126    HE   ARG 151           HE       ARG 151  18.645  -4.453  -4.453
 1127   1HH1  ARG 151          HH21      ARG 151  16.512  -2.612  -2.612
 1128   2HH1  ARG 151          HH22      ARG 151  17.396  -2.949  -2.949
 1129   1HH2  ARG 151          HH11      ARG 151  19.817  -4.911  -4.911
 1130   2HH2  ARG 151          HH12      ARG 151  19.275  -4.259  -4.259
 1131    H    GLY 152           HN       GLY 152  21.965  -1.326  -1.326
 1132   1HA   GLY 152           HA1      GLY 152  22.250   1.018   1.018
 1133   2HA   GLY 152           HA2      GLY 152  23.302   0.520   0.520
 1134    H    ALA 153           HN       ALA 153  19.891   1.535   1.535
 1135    HA   ALA 153           HA       ALA 153  19.977   2.976   2.976
 1136   1HB   ALA 153           HB3      ALA 153  17.891   2.196   2.196
 1137   2HB   ALA 153           HB2      ALA 153  18.122   3.339   3.339
 1138   3HB   ALA 153           HB1      ALA 153  17.839   3.931   3.931
 1139    H    GLN 154           HN       GLN 154  18.682   5.451   5.451
 1140    HA   GLN 154           HA       GLN 154  20.963   7.089   7.089
 1141   1HB   GLN 154           HB2      GLN 154  19.569   8.887   8.887
 1142   2HB   GLN 154           HB1      GLN 154  18.569   7.845   7.845
 1143   1HG   GLN 154           HG2      GLN 154  18.571   7.887   7.887
 1144   2HG   GLN 154           HG1      GLN 154  17.386   8.673   8.673
 1145   1HE2  GLN 154          HE22      GLN 154  17.361   4.621   4.621
 1146   2HE2  GLN 154          HE21      GLN 154  18.788   5.538   5.538
 1147    H    ASN 155           HN       ASN 155  20.331   8.621   8.621
 1148    HA   ASN 155           HA       ASN 155  22.239   7.284   7.284
 1149   1HB   ASN 155           HB1      ASN 155  20.630   9.809   9.809
 1150   2HB   ASN 155           HB2      ASN 155  21.626   9.201   9.201
 1151   1HD2  ASN 155          HD22      ASN 155  23.731  11.572  11.572
 1152   2HD2  ASN 155          HD21      ASN 155  22.326  11.568  11.568
 1153    H    LEU 156           HN       LEU 156  20.085   5.525   5.525
 1154    HA   LEU 156           HA       LEU 156  18.241   5.725   5.725
 1155   1HB   LEU 156           HB2      LEU 156  17.537   3.517   3.517
 1156   2HB   LEU 156           HB1      LEU 156  17.839   4.371   4.371
 1157    HG   LEU 156           HG       LEU 156  19.791   2.439   2.439
 1158   1HD1  LEU 156          HD13      LEU 156  17.441   1.612   1.612
 1159   2HD1  LEU 156          HD12      LEU 156  18.209   1.783   1.783
 1160   3HD1  LEU 156          HD11      LEU 156  18.916   0.717   0.717
 1161   1HD2  LEU 156          HD21      LEU 156  19.656   3.886   3.886
 1162   2HD2  LEU 156          HD23      LEU 156  20.953   3.897   3.897
 1163   3HD2  LEU 156          HD22      LEU 156  20.647   2.446   2.446
 1164    H    MET 157           HN       MET 157  21.132   3.685   3.685
 1165    HA   MET 157           HA       MET 157  21.077   2.459   2.459
 1166   1HB   MET 157           HB2      MET 157  23.163   1.659   1.659
 1167   2HB   MET 157           HB1      MET 157  22.606   2.140   2.140
 1168   1HG   MET 157           HG2      MET 157  24.696   3.041   3.041
 1169   2HG   MET 157           HG1      MET 157  23.756   4.404   4.404
 1170   1HE   MET 157           HE2      MET 157  25.036   1.130   1.130
 1171   2HE   MET 157           HE1      MET 157  26.280   1.487   1.487
 1172   3HE   MET 157           HE3      MET 157  24.582   1.442   1.442
 1173    H    ASP 158           HN       ASP 158  22.212   5.605   5.605
 1174    HA   ASP 158           HA       ASP 158  23.532   6.219   6.219
 1175   1HB   ASP 158           HB1      ASP 158  22.844   8.629   8.629
 1176   2HB   ASP 158           HB2      ASP 158  23.153   7.474   7.474
 1177    H    ILE 159           HN       ILE 159  20.336   6.876   6.876
 1178    HA   ILE 159           HA       ILE 159  19.379   8.695   8.695
 1179    HB   ILE 159           HB       ILE 159  17.975   6.470   6.470
 1180   1HG1  ILE 159          HG12      ILE 159  17.457   9.346   9.346
 1181   2HG1  ILE 159          HG11      ILE 159  19.034   8.732   8.732
 1182   1HG2  ILE 159          HG23      ILE 159  17.012   7.964   7.964
 1183   2HG2  ILE 159          HG22      ILE 159  16.134   8.457   8.457
 1184   3HG2  ILE 159          HG21      ILE 159  16.174   6.759   6.759
 1185   1HD1  ILE 159          HD12      ILE 159  16.982   6.925   6.925
 1186   2HD1  ILE 159          HD11      ILE 159  16.624   8.562   8.562
 1187   3HD1  ILE 159          HD13      ILE 159  18.164   7.811   7.811
 1188    H    LEU 160           HN       LEU 160  19.256   5.141   5.141
 1189    HA   LEU 160           HA       LEU 160  18.085   5.125   5.125
 1190   1HB   LEU 160           HB1      LEU 160  19.523   2.708   2.708
 1191   2HB   LEU 160           HB2      LEU 160  17.861   2.912   2.912
 1192    HG   LEU 160           HG       LEU 160  18.987   3.287   3.287
 1193   1HD1  LEU 160          HD13      LEU 160  17.271   1.296   1.296
 1194   2HD1  LEU 160          HD12      LEU 160  16.860   1.710   1.710
 1195   3HD1  LEU 160          HD11      LEU 160  18.462   1.080   1.080
 1196   1HD2  LEU 160          HD23      LEU 160  16.664   4.536   4.536
 1197   2HD2  LEU 160          HD22      LEU 160  17.514   4.932   4.932
 1198   3HD2  LEU 160          HD21      LEU 160  16.296   3.656   3.656
 1199    H    GLN 161           HN       GLN 161  21.335   4.987   4.987
 1200    HA   GLN 161           HA       GLN 161  22.751   4.035   4.035
 1201   1HB   GLN 161           HB1      GLN 161  23.355   5.256   5.256
 1202   2HB   GLN 161           HB2      GLN 161  24.124   6.270   6.270
 1203   1HG   GLN 161           HG2      GLN 161  24.803   3.759   3.759
 1204   2HG   GLN 161           HG1      GLN 161  24.805   3.586   3.586
 1205   1HE2  GLN 161          HE22      GLN 161  28.183   4.558   4.558
 1206   2HE2  GLN 161          HE21      GLN 161  27.132   3.186   3.186
 1207    H    GLY 162           HN       GLY 162  21.897   7.421   7.421
 1208   1HA   GLY 162           HA2      GLY 162  23.001   8.460   8.460
 1209   2HA   GLY 162           HA1      GLY 162  21.849   9.280   9.280
 1210    H    HIS 163           HN       HIS 163  19.659   7.650   7.650
 1211    HA   HIS 163           HA       HIS 163  18.463   8.445   8.445
 1212   1HB   HIS 163           HB2      HIS 163  17.701   6.766   6.766
 1213   2HB   HIS 163           HB1      HIS 163  16.830   6.436   6.436
 1214    HD2  HIS 163           HD2      HIS 163  14.788   7.559   7.559
 1215    HE1  HIS 163           HE1      HIS 163  15.795  11.453  11.453
 1216    HE2  HIS 163           HE2      HIS 163  14.161  10.076  10.076
 1217    H    MET 164           HN       MET 164  19.615   5.245   5.245
 1218    HA   MET 164           HA       MET 164  18.923   3.849   3.849
 1219   1HB   MET 164           HB2      MET 164  19.572   2.764   2.764
 1220   2HB   MET 164           HB1      MET 164  21.225   3.313   3.313
 1221   1HG   MET 164           HG1      MET 164  21.650   1.451   1.451
 1222   2HG   MET 164           HG2      MET 164  20.506   1.956   1.956
 1223   1HE   MET 164           HE2      MET 164  21.602  -0.226  -0.226
 1224   2HE   MET 164           HE1      MET 164  20.465  -1.573  -1.573
 1225   3HE   MET 164           HE3      MET 164  20.260  -0.261  -0.261
 1226    H    MET 165           HN       MET 165  21.599   5.946   5.946
 1227    HA   MET 165           HA       MET 165  23.258   6.811   6.811
 1228   1HB   MET 165           HB1      MET 165  21.520   7.330   7.330
 1229   2HB   MET 165           HB2      MET 165  21.552   5.686   5.686
 1230   1HG   MET 165           HG2      MET 165  22.778   6.764   6.764
 1231   2HG   MET 165           HG1      MET 165  24.059   6.247   6.247
 1232   1HE   MET 165           HE3      MET 165  25.217   7.962   7.962
 1233   2HE   MET 165           HE2      MET 165  25.298   9.693   9.693
 1234   3HE   MET 165           HE1      MET 165  23.946   9.031   9.031
 1235    H    ILE 166           HN       ILE 166  25.272   6.188   6.188
 1236    HA   ILE 166           HA       ILE 166  25.685   3.451   3.451
 1237    HB   ILE 166           HB       ILE 166  27.192   4.571   4.571
 1238   1HG1  ILE 166          HG12      ILE 166  25.974   2.333   2.333
 1239   2HG1  ILE 166          HG11      ILE 166  24.759   2.902   2.902
 1240   1HG2  ILE 166          HG22      ILE 166  28.205   2.874   2.874
 1241   2HG2  ILE 166          HG21      ILE 166  27.277   1.713   1.713
 1242   3HG2  ILE 166          HG23      ILE 166  28.507   2.705   2.705
 1243   1HD1  ILE 166          HD12      ILE 166  25.922   4.518   4.518
 1244   2HD1  ILE 166          HD11      ILE 166  24.350   3.716   3.716
 1245   3HD1  ILE 166          HD13      ILE 166  24.661   5.039   5.039
 1246    HA   PRO 167           HA       PRO 167  28.042   6.234   6.234
 1247   1HB   PRO 167           HB2      PRO 167  28.626   3.491   3.491
 1248   2HB   PRO 167           HB1      PRO 167  28.225   4.965   4.965
 1249   1HG   PRO 167           HG1      PRO 167  26.396   3.065   3.065
 1250   2HG   PRO 167           HG2      PRO 167  25.959   4.781   4.781
 1251   1HD   PRO 167           HD1      PRO 167  26.268   2.802   2.802
 1252   2HD   PRO 167           HD2      PRO 167  25.199   4.214   4.214
 1253    H    MET 168           HN       MET 168  30.198   6.725   6.725
 1254    HA   MET 168           HA       MET 168  31.955   5.180   5.180
 1255   1HB   MET 168           HB1      MET 168  32.532   7.914   7.914
 1256   2HB   MET 168           HB2      MET 168  33.256   7.141   7.141
 1257   1HG   MET 168           HG2      MET 168  31.390   7.511   7.511
 1258   2HG   MET 168           HG1      MET 168  30.333   7.762   7.762
 1259   1HE   MET 168           HE1      MET 168  29.361   9.662   9.662
 1260   2HE   MET 168           HE3      MET 168  30.114  11.239  11.239
 1261   3HE   MET 168           HE2      MET 168  30.559   9.883   9.883

  Start of MODEL   19
    1   1H    GLY   1           HT3      GLY   1 -39.344 -10.148 -10.148
    2   2H    GLY   1           HT2      GLY   1 -38.564 -10.054 -10.054
    3   3H    GLY   1           HT1      GLY   1 -39.115  -8.645  -8.645
    4   1HA   GLY   1           HA1      GLY   1 -37.516  -8.830  -8.830
    5   2HA   GLY   1           HA2      GLY   1 -36.687  -8.949  -8.949
    6    H    SER   2           HN       SER   2 -35.018 -10.280 -10.280
    7    HA   SER   2           HA       SER   2 -35.521 -13.042 -13.042
    8   1HB   SER   2           HB2      SER   2 -33.857 -11.430 -11.430
    9   2HB   SER   2           HB1      SER   2 -34.030 -13.186 -13.186
   10    HG   SER   2           HG       SER   2 -36.458 -12.338 -12.338
   11    H    MET   3           HN       MET   3 -32.752 -10.804 -10.804
   12    HA   MET   3           HA       MET   3 -30.829 -12.477 -12.477
   13   1HB   MET   3           HB2      MET   3 -31.116  -9.539  -9.539
   14   2HB   MET   3           HB1      MET   3 -29.880 -10.102 -10.102
   15   1HG   MET   3           HG2      MET   3 -28.524 -10.699 -10.699
   16   2HG   MET   3           HG1      MET   3 -29.812 -11.542 -11.542
   17   1HE   MET   3           HE1      MET   3 -27.247  -9.582  -9.582
   18   2HE   MET   3           HE3      MET   3 -27.567  -8.561  -8.561
   19   3HE   MET   3           HE2      MET   3 -27.742  -7.904  -7.904
   20    H    LEU   4           HN       LEU   4 -31.055 -13.561 -13.561
   21    HA   LEU   4           HA       LEU   4 -31.862 -12.040 -12.040
   22   1HB   LEU   4           HB2      LEU   4 -32.780 -14.585 -14.585
   23   2HB   LEU   4           HB1      LEU   4 -32.219 -14.733 -14.733
   24    HG   LEU   4           HG       LEU   4 -33.794 -12.510 -12.510
   25   1HD1  LEU   4          HD13      LEU   4 -34.453 -12.958 -12.958
   26   2HD1  LEU   4          HD12      LEU   4 -35.299 -14.382 -14.382
   27   3HD1  LEU   4          HD11      LEU   4 -35.769 -12.776 -12.776
   28   1HD2  LEU   4          HD21      LEU   4 -34.443 -15.419 -15.419
   29   2HD2  LEU   4          HD23      LEU   4 -33.904 -14.244 -14.244
   30   3HD2  LEU   4          HD22      LEU   4 -35.520 -14.115 -14.115
   31    H    LEU   5           HN       LEU   5 -30.026 -14.925 -14.925
   32    HA   LEU   5           HA       LEU   5 -28.519 -15.169 -15.169
   33   1HB   LEU   5           HB2      LEU   5 -27.545 -15.967 -15.967
   34   2HB   LEU   5           HB1      LEU   5 -27.153 -16.701 -16.701
   35    HG   LEU   5           HG       LEU   5 -29.737 -16.895 -16.895
   36   1HD1  LEU   5          HD13      LEU   5 -27.434 -18.467 -18.467
   37   2HD1  LEU   5          HD12      LEU   5 -28.617 -19.329 -19.329
   38   3HD1  LEU   5          HD11      LEU   5 -29.002 -18.897 -18.897
   39   1HD2  LEU   5          HD23      LEU   5 -30.182 -16.483 -16.483
   40   2HD2  LEU   5          HD22      LEU   5 -30.702 -18.077 -18.077
   41   3HD2  LEU   5          HD21      LEU   5 -29.216 -17.909 -17.909
   42    H    GLU   6           HN       GLU   6 -25.859 -15.330 -15.330
   43    HA   GLU   6           HA       GLU   6 -23.979 -14.069 -14.069
   44   1HB   GLU   6           HB2      GLU   6 -25.497 -13.207 -13.207
   45   2HB   GLU   6           HB1      GLU   6 -25.559 -11.740 -11.740
   46   1HG   GLU   6           HG1      GLU   6 -23.220 -13.020 -13.020
   47   2HG   GLU   6           HG2      GLU   6 -23.790 -11.354 -11.354
   48    H    GLU   7           HN       GLU   7 -22.802 -12.352 -12.352
   49    HA   GLU   7           HA       GLU   7 -24.299 -10.857 -10.857
   50   1HB   GLU   7           HB1      GLU   7 -21.891 -12.609 -12.609
   51   2HB   GLU   7           HB2      GLU   7 -22.199 -11.263 -11.263
   52   1HG   GLU   7           HG2      GLU   7 -24.270 -13.358 -13.358
   53   2HG   GLU   7           HG1      GLU   7 -23.035 -13.563 -13.563
   54    H    VAL   8           HN       VAL   8 -23.396  -9.919  -9.919
   55    HA   VAL   8           HA       VAL   8 -21.128  -8.193  -8.193
   56    HB   VAL   8           HB       VAL   8 -22.270  -8.693  -8.693
   57   1HG1  VAL   8          HG13      VAL   8 -20.839  -6.555  -6.555
   58   2HG1  VAL   8          HG12      VAL   8 -19.531  -7.668  -7.668
   59   3HG1  VAL   8          HG11      VAL   8 -20.740  -7.255  -7.255
   60   1HG2  VAL   8          HG21      VAL   8 -19.989  -9.968  -9.968
   61   2HG2  VAL   8          HG23      VAL   8 -21.328 -10.744 -10.744
   62   3HG2  VAL   8          HG22      VAL   8 -20.055  -9.938  -9.938
   63    H    CYS   9           HN       CYS   9 -23.397  -7.442  -7.442
   64    HA   CYS   9           HA       CYS   9 -24.880  -5.547  -5.547
   65   1HB   CYS   9           HB2      CYS   9 -25.499  -6.947  -6.947
   66   2HB   CYS   9           HB1      CYS   9 -25.039  -5.409  -5.409
   67    HG   CYS   9           HG       CYS   9 -27.672  -5.924  -5.924
   68    H    VAL  10           HN       VAL  10 -23.602  -3.917  -3.917
   69    HA   VAL  10           HA       VAL  10 -22.717  -1.807  -1.807
   70    HB   VAL  10           HB       VAL  10 -23.873  -1.913  -1.913
   71   1HG1  VAL  10          HG22      VAL  10 -21.477  -2.918  -2.918
   72   2HG1  VAL  10          HG21      VAL  10 -21.180  -1.197  -1.197
   73   3HG1  VAL  10          HG23      VAL  10 -22.514  -1.988  -1.988
   74   1HG2  VAL  10          HG12      VAL  10 -23.522   0.071   0.071
   75   2HG2  VAL  10          HG11      VAL  10 -23.210   0.396   0.396
   76   3HG2  VAL  10          HG13      VAL  10 -21.862   0.179   0.179
   77    H    GLY  11           HN       GLY  11 -21.340  -4.626  -4.626
   78   1HA   GLY  11           HA1      GLY  11 -18.821  -4.204  -4.204
   79   2HA   GLY  11           HA2      GLY  11 -19.187  -5.414  -5.414
   80    H    ASP  12           HN       ASP  12 -19.069  -4.776  -4.776
   81    HA   ASP  12           HA       ASP  12 -16.733  -3.363  -3.363
   82   1HB   ASP  12           HB1      ASP  12 -17.537  -5.026  -5.026
   83   2HB   ASP  12           HB2      ASP  12 -19.070  -4.181  -4.181
   84    H    ARG  13           HN       ARG  13 -19.820  -2.222  -2.222
   85    HA   ARG  13           HA       ARG  13 -20.014   0.096   0.096
   86   1HB   ARG  13           HB1      ARG  13 -21.911  -0.701  -0.701
   87   2HB   ARG  13           HB2      ARG  13 -21.042  -0.498  -0.498
   88   1HG   ARG  13           HG1      ARG  13 -22.669   1.274   1.274
   89   2HG   ARG  13           HG2      ARG  13 -21.026   1.920   1.920
   90   1HD   ARG  13           HD2      ARG  13 -21.270   2.745   2.745
   91   2HD   ARG  13           HD1      ARG  13 -21.825   1.188   1.188
   92    HE   ARG  13           HE       ARG  13 -24.001   1.909   1.909
   93   1HH1  ARG  13          HH21      ARG  13 -21.867   4.142   4.142
   94   2HH1  ARG  13          HH22      ARG  13 -23.087   5.350   5.350
   95   1HH2  ARG  13          HH11      ARG  13 -25.616   3.494   3.494
   96   2HH2  ARG  13          HH12      ARG  13 -25.220   4.981   4.981
   97    H    LEU  14           HN       LEU  14 -19.017  -0.105  -0.105
   98    HA   LEU  14           HA       LEU  14 -17.862   2.504   2.504
   99   1HB   LEU  14           HB1      LEU  14 -18.758   1.690   1.690
  100   2HB   LEU  14           HB2      LEU  14 -17.770   0.245   0.245
  101    HG   LEU  14           HG       LEU  14 -17.049   2.008   2.008
  102   1HD1  LEU  14          HD11      LEU  14 -15.603   0.215   0.215
  103   2HD1  LEU  14          HD13      LEU  14 -14.743   1.713   1.713
  104   3HD1  LEU  14          HD12      LEU  14 -14.961   1.198   1.198
  105   1HD2  LEU  14          HD21      LEU  14 -16.751   3.511   3.511
  106   2HD2  LEU  14          HD23      LEU  14 -17.186   4.078   4.078
  107   3HD2  LEU  14          HD22      LEU  14 -15.501   3.724   3.724
  108    H    SER  15           HN       SER  15 -16.441  -0.755  -0.755
  109    HA   SER  15           HA       SER  15 -13.765   0.026   0.026
  110   1HB   SER  15           HB2      SER  15 -13.248  -2.227  -2.227
  111   2HB   SER  15           HB1      SER  15 -14.887  -2.308  -2.308
  112    HG   SER  15           HG       SER  15 -15.335  -3.424  -3.424
  113    H    GLY  16           HN       GLY  16 -16.075  -0.393  -0.393
  114   1HA   GLY  16           HA1      GLY  16 -14.186  -0.487  -0.487
  115   2HA   GLY  16           HA2      GLY  16 -15.899  -0.133  -0.133
  116    H    ALA  17           HN       ALA  17 -16.143   2.141   2.141
  117    HA   ALA  17           HA       ALA  17 -15.317   4.140   4.140
  118   1HB   ALA  17           HB2      ALA  17 -16.270   4.385   4.385
  119   2HB   ALA  17           HB1      ALA  17 -16.118   5.725   5.725
  120   3HB   ALA  17           HB3      ALA  17 -17.268   4.425   4.425
  121    H    ALA  18           HN       ALA  18 -14.178   3.501   3.501
  122    HA   ALA  18           HA       ALA  18 -12.163   5.403   5.403
  123   1HB   ALA  18           HB3      ALA  18 -13.108   3.550   3.550
  124   2HB   ALA  18           HB2      ALA  18 -11.526   2.872   2.872
  125   3HB   ALA  18           HB1      ALA  18 -11.649   4.508   4.508
  126    H    ALA  19           HN       ALA  19 -12.076   2.095   2.095
  127    HA   ALA  19           HA       ALA  19  -9.289   2.030   2.030
  128   1HB   ALA  19           HB2      ALA  19 -11.103   0.120   0.120
  129   2HB   ALA  19           HB1      ALA  19 -11.159   0.406   0.406
  130   3HB   ALA  19           HB3      ALA  19  -9.640  -0.051  -0.051
  131    H    ARG  20           HN       ARG  20 -12.000   3.317   3.317
  132    HA   ARG  20           HA       ARG  20 -10.712   3.451   3.451
  133   1HB   ARG  20           HB2      ARG  20 -13.119   4.902   4.902
  134   2HB   ARG  20           HB1      ARG  20 -12.580   5.020   5.020
  135   1HG   ARG  20           HG1      ARG  20 -12.818   2.265   2.265
  136   2HG   ARG  20           HG2      ARG  20 -14.307   3.116   3.116
  137   1HD   ARG  20           HD1      ARG  20 -14.904   3.022   3.022
  138   2HD   ARG  20           HD2      ARG  20 -13.543   4.075   4.075
  139    HE   ARG  20           HE       ARG  20 -12.627   1.427   1.427
  140   1HH1  ARG  20          HH11      ARG  20 -14.590   3.441   3.441
  141   2HH1  ARG  20          HH12      ARG  20 -14.258   2.528   2.528
  142   1HH2  ARG  20          HH21      ARG  20 -12.182   0.215   0.215
  143   2HH2  ARG  20          HH22      ARG  20 -12.889   0.694   0.694
  144    H    GLY  21           HN       GLY  21 -10.758   5.452   5.452
  145   1HA   GLY  21           HA1      GLY  21  -9.203   7.134   7.134
  146   2HA   GLY  21           HA2      GLY  21  -8.742   7.173   7.173
  147    H    ASP  22           HN       ASP  22 -11.561   7.896   7.896
  148    HA   ASP  22           HA       ASP  22 -11.839  10.445  10.445
  149   1HB   ASP  22           HB1      ASP  22 -14.428   9.330   9.330
  150   2HB   ASP  22           HB2      ASP  22 -13.558   8.288   8.288
  151    H    VAL  23           HN       VAL  23 -11.106  11.620  11.620
  152    HA   VAL  23           HA       VAL  23 -11.676  11.251  11.251
  153    HB   VAL  23           HB       VAL  23  -9.988  12.836  12.836
  154   1HG1  VAL  23          HG12      VAL  23 -11.399  13.655  13.655
  155   2HG1  VAL  23          HG11      VAL  23 -12.184  14.729  14.729
  156   3HG1  VAL  23          HG13      VAL  23 -10.451  14.868  14.868
  157   1HG2  VAL  23          HG23      VAL  23 -11.465  13.092  13.092
  158   2HG2  VAL  23          HG22      VAL  23 -10.210  14.257  14.257
  159   3HG2  VAL  23          HG21      VAL  23 -11.900  14.615  14.615
  160    H    GLN  24           HN       GLN  24 -13.746  12.361  12.361
  161    HA   GLN  24           HA       GLN  24 -15.577  13.811  13.811
  162   1HB   GLN  24           HB2      GLN  24 -15.181  13.539  13.539
  163   2HB   GLN  24           HB1      GLN  24 -16.695  12.683  12.683
  164   1HG   GLN  24           HG1      GLN  24 -16.879  15.072  15.072
  165   2HG   GLN  24           HG2      GLN  24 -16.193  15.498  15.498
  166   1HE2  GLN  24          HE22      GLN  24 -20.066  14.396  14.396
  167   2HE2  GLN  24          HE21      GLN  24 -18.969  14.364  14.364
  168    H    GLU  25           HN       GLU  25 -15.685  10.602  10.602
  169    HA   GLU  25           HA       GLU  25 -18.127   9.861   9.861
  170   1HB   GLU  25           HB2      GLU  25 -16.092   8.020   8.020
  171   2HB   GLU  25           HB1      GLU  25 -17.805   7.708   7.708
  172   1HG   GLU  25           HG1      GLU  25 -18.331   8.648   8.648
  173   2HG   GLU  25           HG2      GLU  25 -17.413  10.102  10.102
  174    H    VAL  26           HN       VAL  26 -14.727   9.415   9.415
  175    HA   VAL  26           HA       VAL  26 -14.884   7.359   7.359
  176    HB   VAL  26           HB       VAL  26 -12.804   8.685   8.685
  177   1HG1  VAL  26          HG11      VAL  26 -13.501  10.849  10.849
  178   2HG1  VAL  26          HG13      VAL  26 -13.402  10.182  10.182
  179   3HG1  VAL  26          HG12      VAL  26 -11.947  10.329  10.329
  180   1HG2  VAL  26          HG21      VAL  26 -13.267   6.892   6.892
  181   2HG2  VAL  26          HG23      VAL  26 -11.721   7.264   7.264
  182   3HG2  VAL  26          HG22      VAL  26 -12.222   8.136   8.136
  183    H    ARG  27           HN       ARG  27 -15.293  10.844  10.844
  184    HA   ARG  27           HA       ARG  27 -15.934  10.475  10.475
  185   1HB   ARG  27           HB2      ARG  27 -16.660  12.912  12.912
  186   2HB   ARG  27           HB1      ARG  27 -16.234  12.803  12.803
  187   1HG   ARG  27           HG1      ARG  27 -13.921  12.127  12.127
  188   2HG   ARG  27           HG2      ARG  27 -14.415  12.587  12.587
  189   1HD   ARG  27           HD1      ARG  27 -14.748  14.843  14.843
  190   2HD   ARG  27           HD2      ARG  27 -14.640  14.451  14.451
  191    HE   ARG  27           HE       ARG  27 -12.221  13.721  13.721
  192   1HH1  ARG  27          HH21      ARG  27 -14.087  16.617  16.617
  193   2HH1  ARG  27          HH22      ARG  27 -12.700  17.640  17.640
  194   1HH2  ARG  27          HH11      ARG  27 -10.383  15.058  15.058
  195   2HH2  ARG  27          HH12      ARG  27 -10.593  16.755  16.755
  196    H    ARG  28           HN       ARG  28 -17.862  11.256  11.256
  197    HA   ARG  28           HA       ARG  28 -20.347  11.505  11.505
  198   1HB   ARG  28           HB1      ARG  28 -19.761  10.258  10.258
  199   2HB   ARG  28           HB2      ARG  28 -21.296  10.949  10.949
  200   1HG   ARG  28           HG2      ARG  28 -18.863  12.661  12.661
  201   2HG   ARG  28           HG1      ARG  28 -19.622  12.308  12.308
  202   1HD   ARG  28           HD2      ARG  28 -21.099  13.914  13.914
  203   2HD   ARG  28           HD1      ARG  28 -21.706  12.973  12.973
  204    HE   ARG  28           HE       ARG  28 -19.406  14.438  14.438
  205   1HH1  ARG  28          HH11      ARG  28 -22.793  14.824  14.824
  206   2HH1  ARG  28          HH12      ARG  28 -22.978  16.227  16.227
  207   1HH2  ARG  28          HH21      ARG  28 -19.641  16.286  16.286
  208   2HH2  ARG  28          HH22      ARG  28 -21.187  17.057  17.057
  209    H    LEU  29           HN       LEU  29 -18.509   8.631   8.631
  210    HA   LEU  29           HA       LEU  29 -20.661   6.790   6.790
  211   1HB   LEU  29           HB1      LEU  29 -17.671   6.541   6.541
  212   2HB   LEU  29           HB2      LEU  29 -18.683   5.167   5.167
  213    HG   LEU  29           HG       LEU  29 -17.852   5.894   5.894
  214   1HD1  LEU  29          HD21      LEU  29 -19.041   3.775   3.775
  215   2HD1  LEU  29          HD23      LEU  29 -20.367   4.366   4.366
  216   3HD1  LEU  29          HD22      LEU  29 -18.822   3.947   3.947
  217   1HD2  LEU  29          HD11      LEU  29 -19.491   7.789   7.789
  218   2HD2  LEU  29          HD13      LEU  29 -19.714   6.673   6.673
  219   3HD2  LEU  29          HD12      LEU  29 -20.775   6.582   6.582
  220    H    LEU  30           HN       LEU  30 -17.736   7.002   7.002
  221    HA   LEU  30           HA       LEU  30 -19.083   5.910   5.910
  222   1HB   LEU  30           HB1      LEU  30 -16.397   7.272   7.272
  223   2HB   LEU  30           HB2      LEU  30 -16.986   6.125   6.125
  224    HG   LEU  30           HG       LEU  30 -16.897   5.137   5.137
  225   1HD1  LEU  30          HD12      LEU  30 -14.640   6.490   6.490
  226   2HD1  LEU  30          HD11      LEU  30 -14.292   4.761   4.761
  227   3HD1  LEU  30          HD13      LEU  30 -14.779   5.609   5.609
  228   1HD2  LEU  30          HD23      LEU  30 -17.370   3.971   3.971
  229   2HD2  LEU  30          HD22      LEU  30 -16.600   3.119   3.119
  230   3HD2  LEU  30          HD21      LEU  30 -15.616   3.783   3.783
  231    H    HIS  31           HN       HIS  31 -17.925   9.137   9.137
  232    HA   HIS  31           HA       HIS  31 -18.678  10.328  10.328
  233   1HB   HIS  31           HB2      HIS  31 -17.212  11.108  11.108
  234   2HB   HIS  31           HB1      HIS  31 -18.557  12.238  12.238
  235    HD2  HIS  31           HD2      HIS  31 -15.266  12.785  12.785
  236    HE1  HIS  31           HE1      HIS  31 -17.059  13.590  13.590
  237    HE2  HIS  31           HE2      HIS  31 -14.923  13.734  13.734
  238    H    ARG  32           HN       ARG  32 -20.551   9.128   9.128
  239    HA   ARG  32           HA       ARG  32 -22.819  10.760  10.760
  240   1HB   ARG  32           HB2      ARG  32 -21.579  11.017  11.017
  241   2HB   ARG  32           HB1      ARG  32 -23.148  10.258  10.258
  242   1HG   ARG  32           HG1      ARG  32 -22.503  12.957  12.957
  243   2HG   ARG  32           HG2      ARG  32 -23.629  12.508  12.508
  244   1HD   ARG  32           HD1      ARG  32 -24.840  11.230  11.230
  245   2HD   ARG  32           HD2      ARG  32 -23.966  12.374  12.374
  246    HE   ARG  32           HE       ARG  32 -25.522  13.917  13.917
  247   1HH1  ARG  32          HH21      ARG  32 -25.247  11.605  11.605
  248   2HH1  ARG  32          HH22      ARG  32 -26.461  12.360  12.360
  249   1HH2  ARG  32          HH11      ARG  32 -27.124  14.921  14.921
  250   2HH2  ARG  32          HH12      ARG  32 -27.529  14.245  14.245
  251    H    GLU  33           HN       GLU  33 -22.400   8.380   8.380
  252    HA   GLU  33           HA       GLU  33 -24.723   6.988   6.988
  253   1HB   GLU  33           HB2      GLU  33 -22.959   6.694   6.694
  254   2HB   GLU  33           HB1      GLU  33 -22.134   5.613   5.613
  255   1HG   GLU  33           HG1      GLU  33 -24.390   4.365   4.365
  256   2HG   GLU  33           HG2      GLU  33 -24.764   5.252   5.252
  257    H    LEU  34           HN       LEU  34 -21.916   6.943   6.943
  258    HA   LEU  34           HA       LEU  34 -21.448   5.930   5.930
  259   1HB   LEU  34           HB1      LEU  34 -24.407   5.840   5.840
  260   2HB   LEU  34           HB2      LEU  34 -23.653   4.783   4.783
  261    HG   LEU  34           HG       LEU  34 -23.383   7.787   7.787
  262   1HD1  LEU  34          HD13      LEU  34 -25.090   5.929   5.929
  263   2HD1  LEU  34          HD12      LEU  34 -24.331   7.209   7.209
  264   3HD1  LEU  34          HD11      LEU  34 -25.350   7.618   7.618
  265   1HD2  LEU  34          HD21      LEU  34 -21.794   5.733   5.733
  266   2HD2  LEU  34          HD23      LEU  34 -21.383   7.394   7.394
  267   3HD2  LEU  34          HD22      LEU  34 -22.335   7.066   7.066
  268    H    VAL  35           HN       VAL  35 -21.274   4.449   4.449
  269    HA   VAL  35           HA       VAL  35 -22.162   1.810   1.810
  270    HB   VAL  35           HB       VAL  35 -21.313   2.556   2.556
  271   1HG1  VAL  35          HG11      VAL  35 -18.886   3.266   3.266
  272   2HG1  VAL  35          HG13      VAL  35 -18.725   2.897   2.897
  273   3HG1  VAL  35          HG12      VAL  35 -19.769   4.218   4.218
  274   1HG2  VAL  35          HG21      VAL  35 -20.536   0.175   0.175
  275   2HG2  VAL  35          HG23      VAL  35 -20.498   0.554   0.554
  276   3HG2  VAL  35          HG22      VAL  35 -19.055   0.792   0.792
  277    H    HIS  36           HN       HIS  36 -21.406   0.013   0.013
  278    HA   HIS  36           HA       HIS  36 -19.682   0.309   0.309
  279   1HB   HIS  36           HB1      HIS  36 -21.561  -1.559  -1.559
  280   2HB   HIS  36           HB2      HIS  36 -20.039  -2.443  -2.443
  281    HD2  HIS  36           HD2      HIS  36 -22.138  -0.397  -0.397
  282    HE1  HIS  36           HE1      HIS  36 -19.700  -3.240  -3.240
  283    HE2  HIS  36           HE2      HIS  36 -21.370  -1.356  -1.356
  284    HA   PRO  37           HA       PRO  37 -15.720  -0.351  -0.351
  285   1HB   PRO  37           HB1      PRO  37 -14.423  -1.471  -1.471
  286   2HB   PRO  37           HB2      PRO  37 -14.797   0.252   0.252
  287   1HG   PRO  37           HG1      PRO  37 -16.247  -1.914  -1.914
  288   2HG   PRO  37           HG2      PRO  37 -15.859  -0.266  -0.266
  289   1HD   PRO  37           HD2      PRO  37 -18.311  -0.952  -0.952
  290   2HD   PRO  37           HD1      PRO  37 -17.618   0.659   0.659
  291    H    ASP  38           HN       ASP  38 -17.719  -2.888  -2.888
  292    HA   ASP  38           HA       ASP  38 -15.893  -4.991  -4.991
  293   1HB   ASP  38           HB2      ASP  38 -17.317  -5.247  -5.247
  294   2HB   ASP  38           HB1      ASP  38 -17.506  -6.544  -6.544
  295    H    ALA  39           HN       ALA  39 -16.956  -3.043  -3.043
  296    HA   ALA  39           HA       ALA  39 -18.728  -4.694  -4.694
  297   1HB   ALA  39           HB1      ALA  39 -18.106  -1.801  -1.801
  298   2HB   ALA  39           HB3      ALA  39 -18.531  -2.465  -2.465
  299   3HB   ALA  39           HB2      ALA  39 -19.651  -2.621  -2.621
  300    H    LEU  40           HN       LEU  40 -17.393  -6.234  -6.234
  301    HA   LEU  40           HA       LEU  40 -15.057  -5.319  -5.319
  302   1HB   LEU  40           HB2      LEU  40 -15.732  -8.200  -8.200
  303   2HB   LEU  40           HB1      LEU  40 -14.167  -7.459  -7.459
  304    HG   LEU  40           HG       LEU  40 -13.993  -7.933  -7.933
  305   1HD1  LEU  40          HD23      LEU  40 -14.328  -5.304  -5.304
  306   2HD1  LEU  40          HD22      LEU  40 -15.543  -5.543  -5.543
  307   3HD1  LEU  40          HD21      LEU  40 -13.856  -5.945  -5.945
  308   1HD2  LEU  40          HD13      LEU  40 -16.524  -8.705  -8.705
  309   2HD2  LEU  40          HD12      LEU  40 -15.697  -8.472  -8.472
  310   3HD2  LEU  40          HD11      LEU  40 -16.762  -7.214  -7.214
  311    H    ASN  41           HN       ASN  41 -14.775  -5.893  -5.893
  312    HA   ASN  41           HA       ASN  41 -16.896  -5.685  -5.685
  313   1HB   ASN  41           HB2      ASN  41 -15.464  -6.670  -6.670
  314   2HB   ASN  41           HB1      ASN  41 -14.560  -5.538  -5.538
  315   1HD2  ASN  41          HD22      ASN  41 -12.108  -7.849  -7.849
  316   2HD2  ASN  41          HD21      ASN  41 -12.597  -6.213  -6.213
  317    H    ARG  42           HN       ARG  42 -15.863  -8.465  -8.465
  318    HA   ARG  42           HA       ARG  42 -18.213  -9.926  -9.926
  319   1HB   ARG  42           HB2      ARG  42 -15.905 -10.511 -10.511
  320   2HB   ARG  42           HB1      ARG  42 -15.720 -11.533 -11.533
  321   1HG   ARG  42           HG2      ARG  42 -18.179 -12.256 -12.256
  322   2HG   ARG  42           HG1      ARG  42 -17.656 -11.720 -11.720
  323   1HD   ARG  42           HD1      ARG  42 -15.594 -13.302 -13.302
  324   2HD   ARG  42           HD2      ARG  42 -17.122 -14.179 -14.179
  325    HE   ARG  42           HE       ARG  42 -15.560 -13.811 -13.811
  326   1HH1  ARG  42          HH11      ARG  42 -18.882 -13.681 -13.681
  327   2HH1  ARG  42          HH12      ARG  42 -19.518 -14.106 -14.106
  328   1HH2  ARG  42          HH21      ARG  42 -16.386 -14.375 -14.375
  329   2HH2  ARG  42          HH22      ARG  42 -18.099 -14.501 -14.501
  330    H    PHE  43           HN       PHE  43 -15.295 -10.774 -10.774
  331    HA   PHE  43           HA       PHE  43 -16.327 -10.459 -10.459
  332   1HB   PHE  43           HB1      PHE  43 -17.009 -12.683 -12.683
  333   2HB   PHE  43           HB2      PHE  43 -17.943 -12.185 -12.185
  334    HD1  PHE  43           HD1      PHE  43 -15.071 -12.728 -12.728
  335    HD2  PHE  43           HD2      PHE  43 -17.928 -14.965 -14.965
  336    HE1  PHE  43           HE1      PHE  43 -14.398 -14.778 -14.778
  337    HE2  PHE  43           HE2      PHE  43 -17.257 -17.018 -17.018
  338    HZ   PHE  43           HZ       PHE  43 -15.491 -16.925 -16.925
  339    H    GLY  44           HN       GLY  44 -13.986  -9.762  -9.762
  340   1HA   GLY  44           HA1      GLY  44 -12.271 -11.634 -11.634
  341   2HA   GLY  44           HA2      GLY  44 -11.837 -11.401 -11.401
  342    H    LYS  45           HN       LYS  45 -11.520  -9.090  -9.090
  343    HA   LYS  45           HA       LYS  45  -9.777  -7.817  -7.817
  344   1HB   LYS  45           HB1      LYS  45 -10.428  -6.836  -6.836
  345   2HB   LYS  45           HB2      LYS  45  -9.005  -6.475  -6.475
  346   1HG   LYS  45           HG1      LYS  45  -8.247  -8.770  -8.770
  347   2HG   LYS  45           HG2      LYS  45  -9.701  -9.180  -9.180
  348   1HD   LYS  45           HD2      LYS  45  -9.039  -7.927  -7.927
  349   2HD   LYS  45           HD1      LYS  45  -7.868  -6.992  -6.992
  350   1HE   LYS  45           HE2      LYS  45  -7.597  -9.951  -9.951
  351   2HE   LYS  45           HE1      LYS  45  -6.920  -8.747  -8.747
  352   1HZ   LYS  45           HZ1      LYS  45  -6.284  -8.935  -8.935
  353   2HZ   LYS  45           HZ3      LYS  45  -5.315  -9.555  -9.555
  354   3HZ   LYS  45           HZ2      LYS  45  -5.572  -7.888  -7.888
  355    H    THR  46           HN       THR  46  -9.910  -5.608  -5.608
  356    HA   THR  46           HA       THR  46 -12.675  -4.641  -4.641
  357    HB   THR  46           HB       THR  46 -11.850  -3.220  -3.220
  358    HG1  THR  46           HG1      THR  46  -9.728  -3.756  -3.756
  359   1HG2  THR  46          HG23      THR  46 -12.175  -6.015  -6.015
  360   2HG2  THR  46          HG22      THR  46 -10.803  -5.624  -5.624
  361   3HG2  THR  46          HG21      THR  46 -12.367  -4.860  -4.860
  362    H    ALA  47           HN       ALA  47 -12.689  -2.098  -2.098
  363    HA   ALA  47           HA       ALA  47 -12.120  -1.010  -1.010
  364   1HB   ALA  47           HB1      ALA  47 -13.671  -0.197  -0.197
  365   2HB   ALA  47           HB3      ALA  47 -12.266   0.781   0.781
  366   3HB   ALA  47           HB2      ALA  47 -13.013   0.950   0.950
  367    H    LEU  48           HN       LEU  48 -10.223  -1.036  -1.036
  368    HA   LEU  48           HA       LEU  48  -8.249   0.811   0.811
  369   1HB   LEU  48           HB1      LEU  48  -8.898  -0.338  -0.338
  370   2HB   LEU  48           HB2      LEU  48  -7.376  -1.112  -1.112
  371    HG   LEU  48           HG       LEU  48  -6.246   1.006   1.006
  372   1HD1  LEU  48          HD22      LEU  48  -8.923   2.020   2.020
  373   2HD1  LEU  48          HD21      LEU  48  -8.064   2.902   2.902
  374   3HD1  LEU  48          HD23      LEU  48  -7.372   2.782   2.782
  375   1HD2  LEU  48          HD12      LEU  48  -7.160  -0.103  -0.103
  376   2HD2  LEU  48          HD11      LEU  48  -6.088   1.296   1.296
  377   3HD2  LEU  48          HD13      LEU  48  -7.825   1.524   1.524
  378    H    GLN  49           HN       GLN  49  -8.360  -2.732  -2.732
  379    HA   GLN  49           HA       GLN  49  -5.777  -3.186  -3.186
  380   1HB   GLN  49           HB2      GLN  49  -7.702  -4.746  -4.746
  381   2HB   GLN  49           HB1      GLN  49  -7.770  -5.284  -5.284
  382   1HG   GLN  49           HG2      GLN  49  -5.123  -5.063  -5.063
  383   2HG   GLN  49           HG1      GLN  49  -6.170  -6.432  -6.432
  384   1HE2  GLN  49          HE22      GLN  49  -4.113  -7.673  -7.673
  385   2HE2  GLN  49          HE21      GLN  49  -4.034  -7.320  -7.320
  386    H    VAL  50           HN       VAL  50  -8.540  -2.038  -2.038
  387    HA   VAL  50           HA       VAL  50  -7.416  -2.653  -2.653
  388    HB   VAL  50           HB       VAL  50  -9.647  -3.003  -3.003
  389   1HG1  VAL  50          HG13      VAL  50  -8.209  -4.859  -4.859
  390   2HG1  VAL  50          HG12      VAL  50  -9.491  -4.873  -4.873
  391   3HG1  VAL  50          HG11      VAL  50  -9.870  -5.214  -5.214
  392   1HG2  VAL  50          HG22      VAL  50 -10.465  -1.967  -1.967
  393   2HG2  VAL  50          HG21      VAL  50 -11.415  -2.210  -2.210
  394   3HG2  VAL  50          HG23      VAL  50 -11.233  -3.525  -3.525
  395    H    MET  51           HN       MET  51  -7.425  -0.282  -0.282
  396    HA   MET  51           HA       MET  51  -9.137   1.628   1.628
  397   1HB   MET  51           HB1      MET  51  -8.995   2.120   2.120
  398   2HB   MET  51           HB2      MET  51  -7.288   1.721   1.721
  399   1HG   MET  51           HG1      MET  51  -7.990   4.012   4.012
  400   2HG   MET  51           HG2      MET  51  -8.252   4.225   4.225
  401   1HE   MET  51           HE3      MET  51  -6.554   2.707   2.707
  402   2HE   MET  51           HE2      MET  51  -5.019   2.171   2.171
  403   3HE   MET  51           HE1      MET  51  -5.086   3.642   3.642
  404    H    MET  52           HN       MET  52  -8.396   3.431   3.431
  405    HA   MET  52           HA       MET  52  -5.935   2.935   2.935
  406   1HB   MET  52           HB2      MET  52  -8.377   3.899   3.899
  407   2HB   MET  52           HB1      MET  52  -7.451   5.383   5.383
  408   1HG   MET  52           HG1      MET  52  -5.685   4.198   4.198
  409   2HG   MET  52           HG2      MET  52  -6.976   3.064   3.064
  410   1HE   MET  52           HE2      MET  52  -5.367   6.229   6.229
  411   2HE   MET  52           HE1      MET  52  -5.566   6.442   6.442
  412   3HE   MET  52           HE3      MET  52  -6.509   7.422   7.422
  413    H    PHE  53           HN       PHE  53  -4.398   3.401   3.401
  414    HA   PHE  53           HA       PHE  53  -4.117   5.397   5.397
  415   1HB   PHE  53           HB1      PHE  53  -2.013   4.400   4.400
  416   2HB   PHE  53           HB2      PHE  53  -1.649   5.470   5.470
  417    HD1  PHE  53           HD2      PHE  53  -3.086   2.136   2.136
  418    HD2  PHE  53           HD1      PHE  53  -1.255   4.613   4.613
  419    HE1  PHE  53           HE2      PHE  53  -2.859   0.189   0.189
  420    HE2  PHE  53           HE1      PHE  53  -1.027   2.668   2.668
  421    HZ   PHE  53           HZ       PHE  53  -1.831   0.440   0.440
  422    H    GLY  54           HN       GLY  54  -4.047   5.775   5.775
  423   1HA   GLY  54           HA1      GLY  54  -2.902   8.048   8.048
  424   2HA   GLY  54           HA2      GLY  54  -4.560   7.748   7.748
  425    H    SER  55           HN       SER  55  -6.079   8.160   8.160
  426    HA   SER  55           HA       SER  55  -5.666  10.994  10.994
  427   1HB   SER  55           HB2      SER  55  -7.874  10.794  10.794
  428   2HB   SER  55           HB1      SER  55  -8.006   9.154   9.154
  429    HG   SER  55           HG       SER  55  -8.160  11.611  11.611
  430    HA   PRO  56           HA       PRO  56  -4.116  10.159  10.159
  431   1HB   PRO  56           HB2      PRO  56  -4.091  12.704  12.704
  432   2HB   PRO  56           HB1      PRO  56  -2.914  12.104  12.104
  433   1HG   PRO  56           HG1      PRO  56  -5.397  13.716  13.716
  434   2HG   PRO  56           HG2      PRO  56  -3.792  13.905  13.905
  435   1HD   PRO  56           HD1      PRO  56  -5.870  12.670  12.670
  436   2HD   PRO  56           HD2      PRO  56  -4.170  12.246  12.246
  437    H    ALA  57           HN       ALA  57  -6.877  12.368  12.368
  438    HA   ALA  57           HA       ALA  57  -7.836  12.163  12.163
  439   1HB   ALA  57           HB3      ALA  57  -8.574  13.530  13.530
  440   2HB   ALA  57           HB2      ALA  57  -9.981  12.570  12.570
  441   3HB   ALA  57           HB1      ALA  57  -9.272  13.703  13.703
  442    H    VAL  58           HN       VAL  58  -8.179  10.122  10.122
  443    HA   VAL  58           HA       VAL  58 -10.420   8.631   8.631
  444    HB   VAL  58           HB       VAL  58  -8.148   8.213   8.213
  445   1HG1  VAL  58          HG11      VAL  58  -9.885   6.056   6.056
  446   2HG1  VAL  58          HG13      VAL  58  -9.406   6.008   6.008
  447   3HG1  VAL  58          HG12      VAL  58  -8.176   6.022   6.022
  448   1HG2  VAL  58          HG22      VAL  58 -10.741   9.210   9.210
  449   2HG2  VAL  58          HG21      VAL  58  -9.653   8.847   8.847
  450   3HG2  VAL  58          HG23      VAL  58 -10.807   7.634   7.634
  451    H    ALA  59           HN       ALA  59  -6.973   8.332   8.332
  452    HA   ALA  59           HA       ALA  59  -7.029   5.835   5.835
  453   1HB   ALA  59           HB2      ALA  59  -5.135   8.103   8.103
  454   2HB   ALA  59           HB1      ALA  59  -4.928   7.004   7.004
  455   3HB   ALA  59           HB3      ALA  59  -4.875   6.381   6.381
  456    H    LEU  60           HN       LEU  60  -7.029   9.137   9.137
  457    HA   LEU  60           HA       LEU  60  -7.340   8.406   8.406
  458   1HB   LEU  60           HB2      LEU  60  -6.676  10.663  10.663
  459   2HB   LEU  60           HB1      LEU  60  -8.400  10.972  10.972
  460    HG   LEU  60           HG       LEU  60  -7.564  12.013  12.013
  461   1HD1  LEU  60          HD22      LEU  60  -9.586  10.542  10.542
  462   2HD1  LEU  60          HD21      LEU  60  -8.508   9.342   9.342
  463   3HD1  LEU  60          HD23      LEU  60  -8.696  10.921  10.921
  464   1HD2  LEU  60          HD11      LEU  60  -5.517  10.168  10.168
  465   2HD2  LEU  60          HD13      LEU  60  -5.718  11.394  11.394
  466   3HD2  LEU  60          HD12      LEU  60  -6.324   9.759   9.759
  467    H    GLU  61           HN       GLU  61  -9.670   9.118   9.118
  468    HA   GLU  61           HA       GLU  61 -11.977   9.218   9.218
  469   1HB   GLU  61           HB2      GLU  61 -11.348   9.195   9.195
  470   2HB   GLU  61           HB1      GLU  61 -12.729   8.156   8.156
  471   1HG   GLU  61           HG1      GLU  61 -13.404  10.435  10.435
  472   2HG   GLU  61           HG2      GLU  61 -13.897   9.978   9.978
  473    H    LEU  62           HN       LEU  62 -10.554   6.518   6.518
  474    HA   LEU  62           HA       LEU  62 -12.476   4.603   4.603
  475   1HB   LEU  62           HB1      LEU  62  -9.666   4.465   4.465
  476   2HB   LEU  62           HB2      LEU  62 -10.458   3.000   3.000
  477    HG   LEU  62           HG       LEU  62 -11.288   4.791   4.791
  478   1HD1  LEU  62          HD13      LEU  62  -9.474   3.158   3.158
  479   2HD1  LEU  62          HD12      LEU  62 -10.575   1.865   1.865
  480   3HD1  LEU  62          HD11      LEU  62 -10.925   2.842   2.842
  481   1HD2  LEU  62          HD21      LEU  62 -12.886   3.000   3.000
  482   2HD2  LEU  62          HD23      LEU  62 -13.391   4.221   4.221
  483   3HD2  LEU  62          HD22      LEU  62 -12.945   2.607   2.607
  484    H    LEU  63           HN       LEU  63  -9.265   5.290   5.290
  485    HA   LEU  63           HA       LEU  63  -9.392   3.367   3.367
  486   1HB   LEU  63           HB2      LEU  63  -7.688   5.630   5.630
  487   2HB   LEU  63           HB1      LEU  63  -7.808   5.382   5.382
  488    HG   LEU  63           HG       LEU  63  -7.355   2.840   2.840
  489   1HD1  LEU  63          HD13      LEU  63  -5.530   4.985   4.985
  490   2HD1  LEU  63          HD12      LEU  63  -5.172   3.258   3.258
  491   3HD1  LEU  63          HD11      LEU  63  -6.549   3.891   3.891
  492   1HD2  LEU  63          HD22      LEU  63  -6.510   4.324   4.324
  493   2HD2  LEU  63          HD21      LEU  63  -5.935   2.715   2.715
  494   3HD2  LEU  63          HD23      LEU  63  -5.042   4.143   4.143
  495    H    LYS  64           HN       LYS  64 -10.846   6.467   6.467
  496    HA   LYS  64           HA       LYS  64 -11.216   7.153   7.153
  497   1HB   LYS  64           HB1      LYS  64 -11.696   8.432   8.432
  498   2HB   LYS  64           HB2      LYS  64 -13.327   7.864   7.864
  499   1HG   LYS  64           HG2      LYS  64 -13.601   9.243   9.243
  500   2HG   LYS  64           HG1      LYS  64 -11.900   9.166   9.166
  501   1HD   LYS  64           HD2      LYS  64 -11.463  10.526  10.526
  502   2HD   LYS  64           HD1      LYS  64 -13.197  10.858  10.858
  503   1HE   LYS  64           HE2      LYS  64 -12.903  11.678  11.678
  504   2HE   LYS  64           HE1      LYS  64 -11.161  11.549  11.549
  505   1HZ   LYS  64           HZ1      LYS  64 -11.785  12.987  12.987
  506   2HZ   LYS  64           HZ3      LYS  64 -13.057  13.472  13.472
  507   3HZ   LYS  64           HZ2      LYS  64 -11.453  13.693  13.693
  508    H    GLN  65           HN       GLN  65 -12.679   4.749   4.749
  509    HA   GLN  65           HA       GLN  65 -15.028   4.504   4.504
  510   1HB   GLN  65           HB1      GLN  65 -14.379   3.784   3.784
  511   2HB   GLN  65           HB2      GLN  65 -14.772   2.307   2.307
  512   1HG   GLN  65           HG2      GLN  65 -16.507   4.760   4.760
  513   2HG   GLN  65           HG1      GLN  65 -16.729   3.264   3.264
  514   1HE2  GLN  65          HE22      GLN  65 -19.080   2.741   2.741
  515   2HE2  GLN  65          HE21      GLN  65 -18.879   3.452   3.452
  516    H    GLY  66           HN       GLY  66 -12.380   2.351   2.351
  517   1HA   GLY  66           HA2      GLY  66 -11.209   1.364   1.364
  518   2HA   GLY  66           HA1      GLY  66 -12.818   0.774   0.774
  519    H    ALA  67           HN       ALA  67 -10.949   0.905   0.905
  520    HA   ALA  67           HA       ALA  67 -11.779  -1.787  -1.787
  521   1HB   ALA  67           HB3      ALA  67 -10.672   0.487   0.487
  522   2HB   ALA  67           HB2      ALA  67  -9.929  -1.040  -1.040
  523   3HB   ALA  67           HB1      ALA  67 -11.677  -0.838  -0.838
  524    H    SER  68           HN       SER  68  -9.200  -0.355  -0.355
  525    HA   SER  68           HA       SER  68  -7.276  -1.173  -1.173
  526   1HB   SER  68           HB1      SER  68  -8.991  -3.185  -3.185
  527   2HB   SER  68           HB2      SER  68  -7.897  -3.967  -3.967
  528    HG   SER  68           HG       SER  68  -6.257  -3.797  -3.797
  529    HA   PRO  69           HA       PRO  69  -5.153  -0.843  -0.843
  530   1HB   PRO  69           HB2      PRO  69  -2.996  -0.378  -0.378
  531   2HB   PRO  69           HB1      PRO  69  -3.341   0.494   0.494
  532   1HG   PRO  69           HG2      PRO  69  -4.019   1.530   1.530
  533   2HG   PRO  69           HG1      PRO  69  -5.085   1.698   1.698
  534   1HD   PRO  69           HD1      PRO  69  -5.354  -0.069  -0.069
  535   2HD   PRO  69           HD2      PRO  69  -6.613   0.707   0.707
  536    H    ASN  70           HN       ASN  70  -3.958  -2.500  -2.500
  537    HA   ASN  70           HA       ASN  70  -2.180  -4.214  -4.214
  538   1HB   ASN  70           HB1      ASN  70  -3.345  -4.762  -4.762
  539   2HB   ASN  70           HB2      ASN  70  -1.791  -5.288  -5.288
  540   1HD2  ASN  70          HD22      ASN  70  -0.823  -1.630  -1.630
  541   2HD2  ASN  70          HD21      ASN  70  -1.278  -2.663  -2.663
  542    H    VAL  71           HN       VAL  71  -3.505  -5.077  -5.077
  543    HA   VAL  71           HA       VAL  71  -5.109  -7.364  -7.364
  544    HB   VAL  71           HB       VAL  71  -6.652  -6.909  -6.909
  545   1HG1  VAL  71          HG23      VAL  71  -6.604  -5.171  -5.171
  546   2HG1  VAL  71          HG22      VAL  71  -7.949  -5.166  -5.166
  547   3HG1  VAL  71          HG21      VAL  71  -7.530  -6.647  -6.647
  548   1HG2  VAL  71          HG11      VAL  71  -4.913  -5.029  -5.029
  549   2HG2  VAL  71          HG13      VAL  71  -6.629  -4.933  -4.933
  550   3HG2  VAL  71          HG12      VAL  71  -5.988  -4.033  -4.033
  551    H    GLN  72           HN       GLN  72  -4.670  -9.208  -9.208
  552    HA   GLN  72           HA       GLN  72  -3.397  -9.095  -9.095
  553   1HB   GLN  72           HB2      GLN  72  -2.287 -10.519 -10.519
  554   2HB   GLN  72           HB1      GLN  72  -1.785 -10.887 -10.887
  555   1HG   GLN  72           HG1      GLN  72  -0.663  -8.907  -8.907
  556   2HG   GLN  72           HG2      GLN  72  -1.652  -8.070  -8.070
  557   1HE2  GLN  72          HE22      GLN  72   1.782  -9.901  -9.901
  558   2HE2  GLN  72          HE21      GLN  72   1.175  -9.914  -9.914
  559    H    ASP  73           HN       ASP  73  -3.341 -11.249 -11.249
  560    HA   ASP  73           HA       ASP  73  -5.510 -13.001 -13.001
  561   1HB   ASP  73           HB2      ASP  73  -5.352 -13.126 -13.126
  562   2HB   ASP  73           HB1      ASP  73  -5.463 -11.431 -11.431
  563    H    ALA  74           HN       ALA  74  -5.362 -14.933 -14.933
  564    HA   ALA  74           HA       ALA  74  -3.431 -16.660 -16.660
  565   1HB   ALA  74           HB3      ALA  74  -5.407 -17.212 -17.212
  566   2HB   ALA  74           HB2      ALA  74  -4.460 -16.664 -16.664
  567   3HB   ALA  74           HB1      ALA  74  -3.911 -18.043 -18.043
  568    H    SER  75           HN       SER  75  -3.052 -14.016 -14.016
  569    HA   SER  75           HA       SER  75  -0.534 -14.958 -14.958
  570   1HB   SER  75           HB1      SER  75  -0.569 -13.072 -13.072
  571   2HB   SER  75           HB2      SER  75  -2.278 -13.463 -13.463
  572    HG   SER  75           HG       SER  75  -2.118 -11.310 -11.310
  573    H    GLY  76           HN       GLY  76  -1.669 -12.865 -12.865
  574   1HA   GLY  76           HA1      GLY  76  -0.496 -12.086 -12.086
  575   2HA   GLY  76           HA2      GLY  76   0.963 -12.795 -12.795
  576    H    THR  77           HN       THR  77  -1.018 -10.600 -10.600
  577    HA   THR  77           HA       THR  77   1.099  -8.565  -8.565
  578    HB   THR  77           HB       THR  77  -0.727  -8.802  -8.802
  579    HG1  THR  77           HG1      THR  77   0.560 -10.264 -10.264
  580   1HG2  THR  77          HG21      THR  77   1.558  -7.178  -7.178
  581   2HG2  THR  77          HG23      THR  77   1.803  -8.056  -8.056
  582   3HG2  THR  77          HG22      THR  77   0.401  -7.002  -7.002
  583    H    SER  78           HN       SER  78   0.488  -6.787  -6.787
  584    HA   SER  78           HA       SER  78  -2.369  -6.106  -6.106
  585   1HB   SER  78           HB1      SER  78  -2.076  -5.253  -5.253
  586   2HB   SER  78           HB2      SER  78  -0.765  -6.428  -6.428
  587    HG   SER  78           HG       SER  78  -0.161  -4.281  -4.281
  588    HA   PRO  79           HA       PRO  79  -2.115  -2.121  -2.121
  589   1HB   PRO  79           HB1      PRO  79  -2.008  -0.655  -0.655
  590   2HB   PRO  79           HB2      PRO  79  -3.151  -0.495  -0.495
  591   1HG   PRO  79           HG2      PRO  79  -3.856  -1.706  -1.706
  592   2HG   PRO  79           HG1      PRO  79  -4.425  -2.299  -2.299
  593   1HD   PRO  79           HD1      PRO  79  -2.286  -3.383  -3.383
  594   2HD   PRO  79           HD2      PRO  79  -3.467  -4.247  -4.247
  595    H    VAL  80           HN       VAL  80  -0.041  -2.175  -2.175
  596    HA   VAL  80           HA       VAL  80   1.771  -0.219  -0.219
  597    HB   VAL  80           HB       VAL  80   1.524  -2.052  -2.052
  598   1HG1  VAL  80          HG11      VAL  80   3.012  -3.560  -3.560
  599   2HG1  VAL  80          HG13      VAL  80   4.315  -2.466  -2.466
  600   3HG1  VAL  80          HG12      VAL  80   3.428  -3.360  -3.360
  601   1HG2  VAL  80          HG23      VAL  80   2.375   0.363   0.363
  602   2HG2  VAL  80          HG22      VAL  80   3.002  -0.685  -0.685
  603   3HG2  VAL  80          HG21      VAL  80   3.973  -0.363  -0.363
  604    H    HIS  81           HN       HIS  81   1.501  -3.474  -3.474
  605    HA   HIS  81           HA       HIS  81   4.092  -3.600  -3.600
  606   1HB   HIS  81           HB1      HIS  81   1.579  -5.209  -5.209
  607   2HB   HIS  81           HB2      HIS  81   2.851  -5.445  -5.445
  608    HD2  HIS  81           HD2      HIS  81   5.441  -5.394  -5.394
  609    HE1  HIS  81           HE1      HIS  81   3.401  -8.477  -8.477
  610    HE2  HIS  81           HE2      HIS  81   5.667  -7.457  -7.457
  611    H    ASP  82           HN       ASP  82   0.930  -3.519  -3.519
  612    HA   ASP  82           HA       ASP  82   1.967  -2.742  -2.742
  613   1HB   ASP  82           HB2      ASP  82  -0.492  -1.955  -1.955
  614   2HB   ASP  82           HB1      ASP  82  -0.774  -2.672  -2.672
  615    H    ALA  83           HN       ALA  83   1.152  -0.897  -0.897
  616    HA   ALA  83           HA       ALA  83   0.690   1.621   1.621
  617   1HB   ALA  83           HB2      ALA  83   0.385   1.028   1.028
  618   2HB   ALA  83           HB1      ALA  83   2.136   1.023   1.023
  619   3HB   ALA  83           HB3      ALA  83   1.300   2.518   2.518
  620    H    ALA  84           HN       ALA  84   3.792   0.274   0.274
  621    HA   ALA  84           HA       ALA  84   5.305   2.498   2.498
  622   1HB   ALA  84           HB1      ALA  84   5.896  -0.100  -0.100
  623   2HB   ALA  84           HB3      ALA  84   7.194   0.640   0.640
  624   3HB   ALA  84           HB2      ALA  84   6.461   1.521   1.521
  625    H    ARG  85           HN       ARG  85   4.574  -0.711  -0.711
  626    HA   ARG  85           HA       ARG  85   6.366  -0.533  -0.533
  627   1HB   ARG  85           HB1      ARG  85   5.624  -2.695  -2.695
  628   2HB   ARG  85           HB2      ARG  85   3.958  -2.306  -2.306
  629   1HG   ARG  85           HG2      ARG  85   4.438  -3.511  -3.511
  630   2HG   ARG  85           HG1      ARG  85   5.087  -1.971  -1.971
  631   1HD   ARG  85           HD1      ARG  85   7.314  -2.639  -2.639
  632   2HD   ARG  85           HD2      ARG  85   6.650  -4.196  -4.196
  633    HE   ARG  85           HE       ARG  85   7.450  -3.460  -3.460
  634   1HH1  ARG  85          HH11      ARG  85   5.036  -5.282  -5.282
  635   2HH1  ARG  85          HH12      ARG  85   4.758  -6.392  -6.392
  636   1HH2  ARG  85          HH21      ARG  85   7.091  -4.916  -4.916
  637   2HH2  ARG  85          HH22      ARG  85   5.927  -6.184  -6.184
  638    H    THR  86           HN       THR  86   3.163   0.614   0.614
  639    HA   THR  86           HA       THR  86   2.358   0.856   0.856
  640    HB   THR  86           HB       THR  86   0.669   2.513   2.513
  641    HG1  THR  86           HG1      THR  86   0.796   2.813   2.813
  642   1HG2  THR  86          HG22      THR  86   0.797  -0.373  -0.373
  643   2HG2  THR  86          HG21      THR  86  -0.168   0.314   0.314
  644   3HG2  THR  86          HG23      THR  86  -0.563   0.689   0.689
  645    H    GLY  87           HN       GLY  87   2.795   3.522   3.522
  646   1HA   GLY  87           HA2      GLY  87   4.703   5.089   5.089
  647   2HA   GLY  87           HA1      GLY  87   3.925   5.112   5.112
  648    H    PHE  88           HN       PHE  88   3.047   5.559   5.559
  649    HA   PHE  88           HA       PHE  88   1.958   8.174   8.174
  650   1HB   PHE  88           HB2      PHE  88   0.195   5.866   5.866
  651   2HB   PHE  88           HB1      PHE  88  -0.264   7.549   7.549
  652    HD1  PHE  88           HD1      PHE  88   0.537   8.877   8.877
  653    HD2  PHE  88           HD2      PHE  88  -1.118   4.981   4.981
  654    HE1  PHE  88           HE1      PHE  88  -0.361   8.963   8.963
  655    HE2  PHE  88           HE2      PHE  88  -2.018   5.058   5.058
  656    HZ   PHE  88           HZ       PHE  88  -1.648   7.049   7.049
  657    H    LEU  89           HN       LEU  89   4.041   7.975   7.975
  658    HA   LEU  89           HA       LEU  89   3.963   7.181   7.181
  659   1HB   LEU  89           HB1      LEU  89   6.028   7.881   7.881
  660   2HB   LEU  89           HB2      LEU  89   5.397   9.472   9.472
  661    HG   LEU  89           HG       LEU  89   5.226   9.922   9.922
  662   1HD1  LEU  89          HD21      LEU  89   5.227   7.413   7.413
  663   2HD1  LEU  89          HD23      LEU  89   6.982   7.525   7.525
  664   3HD1  LEU  89          HD22      LEU  89   6.132   8.486   8.486
  665   1HD2  LEU  89          HD11      LEU  89   7.137  10.668  10.668
  666   2HD2  LEU  89          HD13      LEU  89   7.567  10.381  10.381
  667   3HD2  LEU  89          HD12      LEU  89   7.996   9.197   9.197
  668    H    ASP  90           HN       ASP  90   2.506   9.989   9.989
  669    HA   ASP  90           HA       ASP  90   2.123  11.631  11.631
  670   1HB   ASP  90           HB1      ASP  90   0.187  12.544  12.544
  671   2HB   ASP  90           HB2      ASP  90   0.163  11.137  11.137
  672    H    THR  91           HN       THR  91  -0.379   9.446   9.446
  673    HA   THR  91           HA       THR  91  -1.856   9.477   9.477
  674    HB   THR  91           HB       THR  91  -2.093   7.584   7.584
  675    HG1  THR  91           HG1      THR  91  -2.532   9.514   9.514
  676   1HG2  THR  91          HG22      THR  91  -3.269   6.859   6.859
  677   2HG2  THR  91          HG21      THR  91  -4.212   8.346   8.346
  678   3HG2  THR  91          HG23      THR  91  -4.324   7.158   7.158
  679    H    LEU  92           HN       LEU  92   0.314   7.188   7.188
  680    HA   LEU  92           HA       LEU  92   0.060   5.011   5.011
  681   1HB   LEU  92           HB2      LEU  92   1.385   4.748   4.748
  682   2HB   LEU  92           HB1      LEU  92   2.392   6.126   6.126
  683    HG   LEU  92           HG       LEU  92   2.392   3.604   3.604
  684   1HD1  LEU  92          HD12      LEU  92   3.196   3.752   3.752
  685   2HD1  LEU  92          HD11      LEU  92   4.687   3.962   3.962
  686   3HD1  LEU  92          HD13      LEU  92   3.680   2.536   2.536
  687   1HD2  LEU  92          HD22      LEU  92   3.869   6.147   6.147
  688   2HD2  LEU  92          HD21      LEU  92   3.519   5.045   5.045
  689   3HD2  LEU  92          HD23      LEU  92   4.847   4.696   4.696
  690    H    LYS  93           HN       LYS  93   2.190   7.814   7.814
  691    HA   LYS  93           HA       LYS  93   3.496   7.152   7.152
  692   1HB   LYS  93           HB2      LYS  93   4.181   9.016   9.016
  693   2HB   LYS  93           HB1      LYS  93   2.684   9.866   9.866
  694   1HG   LYS  93           HG1      LYS  93   3.353  10.464  10.464
  695   2HG   LYS  93           HG2      LYS  93   4.468   9.103   9.103
  696   1HD   LYS  93           HD1      LYS  93   5.544  11.368  11.368
  697   2HD   LYS  93           HD2      LYS  93   6.061  10.135  10.135
  698   1HE   LYS  93           HE1      LYS  93   5.655  11.702  11.702
  699   2HE   LYS  93           HE2      LYS  93   3.964  11.258  11.258
  700   1HZ   LYS  93           HZ3      LYS  93   5.249  13.357  13.357
  701   2HZ   LYS  93           HZ2      LYS  93   4.553  13.705  13.705
  702   3HZ   LYS  93           HZ1      LYS  93   3.598  13.083  13.083
  703    H    VAL  94           HN       VAL  94   0.248   8.257   8.257
  704    HA   VAL  94           HA       VAL  94  -0.215   9.147   9.147
  705    HB   VAL  94           HB       VAL  94  -2.309   8.258   8.258
  706   1HG1  VAL  94          HG22      VAL  94  -2.342   9.533   9.533
  707   2HG1  VAL  94          HG21      VAL  94  -3.295  10.384  10.384
  708   3HG1  VAL  94          HG23      VAL  94  -3.623   8.687   8.687
  709   1HG2  VAL  94          HG13      VAL  94  -0.846  10.875  10.875
  710   2HG2  VAL  94          HG12      VAL  94  -1.021   9.843   9.843
  711   3HG2  VAL  94          HG11      VAL  94  -2.413  10.727  10.727
  712    H    LEU  95           HN       LEU  95  -1.796   6.416   6.416
  713    HA   LEU  95           HA       LEU  95  -2.550   5.174   5.174
  714   1HB   LEU  95           HB1      LEU  95  -3.236   3.295   3.295
  715   2HB   LEU  95           HB2      LEU  95  -3.712   4.793   4.793
  716    HG   LEU  95           HG       LEU  95  -2.952   3.167   3.167
  717   1HD1  LEU  95          HD23      LEU  95  -2.500   5.668   5.668
  718   2HD1  LEU  95          HD22      LEU  95  -0.817   5.238   5.238
  719   3HD1  LEU  95          HD21      LEU  95  -1.670   4.561   4.561
  720   1HD2  LEU  95          HD11      LEU  95  -1.152   2.343   2.343
  721   2HD2  LEU  95          HD13      LEU  95  -1.075   1.952   1.952
  722   3HD2  LEU  95          HD12      LEU  95  -0.128   3.292   3.292
  723    H    VAL  96           HN       VAL  96   0.386   4.999   4.999
  724    HA   VAL  96           HA       VAL  96   1.328   2.565   2.565
  725    HB   VAL  96           HB       VAL  96   2.733   4.742   4.742
  726   1HG1  VAL  96          HG11      VAL  96   3.873   2.644   2.644
  727   2HG1  VAL  96          HG13      VAL  96   4.456   2.611   2.611
  728   3HG1  VAL  96          HG12      VAL  96   4.630   4.076   4.076
  729   1HG2  VAL  96          HG23      VAL  96   1.655   2.032   2.032
  730   2HG2  VAL  96          HG22      VAL  96   1.547   3.523   3.523
  731   3HG2  VAL  96          HG21      VAL  96   3.057   2.616   2.616
  732    H    GLU  97           HN       GLU  97   2.272   5.981   5.981
  733    HA   GLU  97           HA       GLU  97   4.019   5.618   5.618
  734   1HB   GLU  97           HB1      GLU  97   3.886   7.944   7.944
  735   2HB   GLU  97           HB2      GLU  97   3.576   7.713   7.713
  736   1HG   GLU  97           HG2      GLU  97   1.307   7.885   7.885
  737   2HG   GLU  97           HG1      GLU  97   2.117   9.348   9.348
  738    H    HIS  98           HN       HIS  98   0.515   5.903   5.903
  739    HA   HIS  98           HA       HIS  98   0.067   6.303   6.303
  740   1HB   HIS  98           HB2      HIS  98  -1.585   6.404   6.404
  741   2HB   HIS  98           HB1      HIS  98  -1.791   4.678   4.678
  742    HD2  HIS  98           HD2      HIS  98  -1.381   6.399   6.399
  743    HE1  HIS  98           HE1      HIS  98  -5.540   6.203   6.203
  744    HE2  HIS  98           HE2      HIS  98  -3.764   6.502   6.502
  745    H    GLY  99           HN       GLY  99  -0.493   3.237   3.237
  746   1HA   GLY  99           HA2      GLY  99   1.081   1.634   1.634
  747   2HA   GLY  99           HA1      GLY  99  -0.549   1.658   1.658
  748    H    ALA 100           HN       ALA 100   1.011   1.327   1.327
  749    HA   ALA 100           HA       ALA 100  -0.951  -0.764  -0.764
  750   1HB   ALA 100           HB2      ALA 100  -0.755   1.263   1.263
  751   2HB   ALA 100           HB1      ALA 100   0.843   0.673   0.673
  752   3HB   ALA 100           HB3      ALA 100  -0.588  -0.294  -0.294
  753    H    ASP 101           HN       ASP 101   1.510  -1.094  -1.094
  754    HA   ASP 101           HA       ASP 101   3.324  -2.469  -2.469
  755   1HB   ASP 101           HB2      ASP 101   2.243  -4.445  -4.445
  756   2HB   ASP 101           HB1      ASP 101   1.137  -3.959  -3.959
  757    H    VAL 102           HN       VAL 102   4.753  -1.039  -1.039
  758    HA   VAL 102           HA       VAL 102   5.236  -1.541  -1.541
  759    HB   VAL 102           HB       VAL 102   7.196   0.145   0.145
  760   1HG1  VAL 102          HG11      VAL 102   6.506  -0.148  -0.148
  761   2HG1  VAL 102          HG13      VAL 102   5.312   1.084   1.084
  762   3HG1  VAL 102          HG12      VAL 102   7.031   1.419   1.419
  763   1HG2  VAL 102          HG23      VAL 102   4.292   0.638   0.638
  764   2HG2  VAL 102          HG22      VAL 102   5.657   0.977   0.977
  765   3HG2  VAL 102          HG21      VAL 102   5.340   2.019   2.019
  766    H    ASN 103           HN       ASN 103   5.864  -3.426  -3.426
  767    HA   ASN 103           HA       ASN 103   8.571  -4.097  -4.097
  768   1HB   ASN 103           HB1      ASN 103   7.588  -3.827  -3.827
  769   2HB   ASN 103           HB2      ASN 103   8.882  -4.960  -4.960
  770   1HD2  ASN 103          HD22      ASN 103   9.992  -1.390  -1.390
  771   2HD2  ASN 103          HD21      ASN 103   8.688  -2.323  -2.323
  772    H    ALA 104           HN       ALA 104   5.875  -5.095  -5.095
  773    HA   ALA 104           HA       ALA 104   5.996  -7.837  -7.837
  774   1HB   ALA 104           HB1      ALA 104   3.849  -6.439  -6.439
  775   2HB   ALA 104           HB3      ALA 104   3.783  -6.736  -6.736
  776   3HB   ALA 104           HB2      ALA 104   3.745  -8.091  -8.091
  777    H    LEU 105           HN       LEU 105   5.590  -9.606  -9.606
  778    HA   LEU 105           HA       LEU 105   6.701  -9.005  -9.005
  779   1HB   LEU 105           HB2      LEU 105   7.258 -11.438 -11.438
  780   2HB   LEU 105           HB1      LEU 105   7.851 -11.176 -11.176
  781    HG   LEU 105           HG       LEU 105   8.588  -9.586  -9.586
  782   1HD1  LEU 105          HD12      LEU 105   9.792 -11.838 -11.838
  783   2HD1  LEU 105          HD11      LEU 105  10.892 -10.517 -10.517
  784   3HD1  LEU 105          HD13      LEU 105   9.992 -11.327 -11.327
  785   1HD2  LEU 105          HD22      LEU 105   8.747  -8.936  -8.936
  786   2HD2  LEU 105          HD21      LEU 105   8.973  -7.908  -7.908
  787   3HD2  LEU 105          HD23      LEU 105  10.314  -8.880  -8.880
  788    H    ASP 106           HN       ASP 106   5.974 -10.294 -10.294
  789    HA   ASP 106           HA       ASP 106   3.362 -11.500 -11.500
  790   1HB   ASP 106           HB1      ASP 106   3.379  -9.721  -9.721
  791   2HB   ASP 106           HB2      ASP 106   3.043 -11.256 -11.256
  792    H    SER 107           HN       SER 107   3.074 -13.107 -13.107
  793    HA   SER 107           HA       SER 107   4.098 -15.531 -15.531
  794   1HB   SER 107           HB1      SER 107   3.293 -14.590 -14.590
  795   2HB   SER 107           HB2      SER 107   3.641 -16.274 -16.274
  796    HG   SER 107           HG       SER 107   1.988 -15.711 -15.711
  797    H    THR 108           HN       THR 108   5.461 -13.300 -13.300
  798    HA   THR 108           HA       THR 108   7.648 -14.921 -14.921
  799    HB   THR 108           HB       THR 108   8.068 -12.002 -12.002
  800    HG1  THR 108           HG1      THR 108   6.116 -12.975 -12.975
  801   1HG2  THR 108          HG21      THR 108   9.438 -13.532 -13.532
  802   2HG2  THR 108          HG23      THR 108   7.995 -14.096 -14.096
  803   3HG2  THR 108          HG22      THR 108   8.524 -12.424 -12.424
  804    H    GLY 109           HN       GLY 109   7.156 -12.631 -12.631
  805   1HA   GLY 109           HA2      GLY 109   8.332 -12.534 -12.534
  806   2HA   GLY 109           HA1      GLY 109   9.510 -13.655 -13.655
  807    H    SER 110           HN       SER 110   8.542 -10.704 -10.704
  808    HA   SER 110           HA       SER 110  11.280  -9.698  -9.698
  809   1HB   SER 110           HB2      SER 110   9.246  -9.353  -9.353
  810   2HB   SER 110           HB1      SER 110  10.561  -8.193  -8.193
  811    HG   SER 110           HG       SER 110  10.620 -10.631 -10.631
  812    H    LEU 111           HN       LEU 111  11.559  -8.070  -8.070
  813    HA   LEU 111           HA       LEU 111   9.548  -6.761  -6.761
  814   1HB   LEU 111           HB1      LEU 111  12.179  -6.874  -6.874
  815   2HB   LEU 111           HB2      LEU 111  12.104  -5.325  -5.325
  816    HG   LEU 111           HG       LEU 111  10.556  -4.513  -4.513
  817   1HD1  LEU 111          HD21      LEU 111  10.729  -7.316  -7.316
  818   2HD1  LEU 111          HD23      LEU 111  10.990  -6.187  -6.187
  819   3HD1  LEU 111          HD22      LEU 111   9.508  -6.101  -6.101
  820   1HD2  LEU 111          HD12      LEU 111  13.280  -4.708  -4.708
  821   2HD2  LEU 111          HD11      LEU 111  12.307  -3.772  -3.772
  822   3HD2  LEU 111          HD13      LEU 111  12.832  -5.401  -5.401
  823    HA   PRO 112           HA       PRO 112   7.531  -3.933  -3.933
  824   1HB   PRO 112           HB2      PRO 112   7.964  -2.078  -2.078
  825   2HB   PRO 112           HB1      PRO 112   6.500  -2.366  -2.366
  826   1HG   PRO 112           HG1      PRO 112   6.795  -3.466  -3.466
  827   2HG   PRO 112           HG2      PRO 112   6.033  -4.365  -4.365
  828   1HD   PRO 112           HD2      PRO 112   8.724  -4.698  -4.698
  829   2HD   PRO 112           HD1      PRO 112   7.680  -5.900  -5.900
  830    H    ILE 113           HN       ILE 113  10.537  -3.127  -3.127
  831    HA   ILE 113           HA       ILE 113  11.085  -0.791  -0.791
  832    HB   ILE 113           HB       ILE 113  12.182  -0.942  -0.942
  833   1HG1  ILE 113          HG11      ILE 113  14.668  -1.472  -1.472
  834   2HG1  ILE 113          HG12      ILE 113  13.611  -0.676  -0.676
  835   1HG2  ILE 113          HG21      ILE 113  13.300  -3.563  -3.563
  836   2HG2  ILE 113          HG23      ILE 113  13.829  -2.733  -2.733
  837   3HG2  ILE 113          HG22      ILE 113  12.167  -3.309  -3.309
  838   1HD1  ILE 113          HD11      ILE 113  14.028   0.397   0.397
  839   2HD1  ILE 113          HD13      ILE 113  15.096   0.802   0.802
  840   3HD1  ILE 113          HD12      ILE 113  13.386   1.224   1.224
  841    H    HIS 114           HN       HIS 114  12.072  -4.187  -4.187
  842    HA   HIS 114           HA       HIS 114  13.939  -4.045  -4.045
  843   1HB   HIS 114           HB2      HIS 114  11.962  -6.181  -6.181
  844   2HB   HIS 114           HB1      HIS 114  13.069  -6.407  -6.407
  845    HD2  HIS 114           HD2      HIS 114  15.870  -6.179  -6.179
  846    HE1  HIS 114           HE1      HIS 114  14.940  -7.437  -7.437
  847    HE2  HIS 114           HE2      HIS 114  16.811  -6.902  -6.902
  848    H    LEU 115           HN       LEU 115  10.451  -3.898  -3.898
  849    HA   LEU 115           HA       LEU 115  10.261  -4.200  -4.200
  850   1HB   LEU 115           HB1      LEU 115   8.155  -2.740  -2.740
  851   2HB   LEU 115           HB2      LEU 115   7.998  -3.977  -3.977
  852    HG   LEU 115           HG       LEU 115   8.632  -4.376  -4.376
  853   1HD1  LEU 115          HD12      LEU 115   6.222  -4.218  -4.218
  854   2HD1  LEU 115          HD11      LEU 115   6.498  -5.945  -5.945
  855   3HD1  LEU 115          HD13      LEU 115   6.478  -4.860  -4.860
  856   1HD2  LEU 115          HD23      LEU 115   9.623  -5.897  -5.897
  857   2HD2  LEU 115          HD22      LEU 115   9.521  -6.371  -6.371
  858   3HD2  LEU 115          HD21      LEU 115   8.221  -6.795  -6.795
  859    H    ALA 116           HN       ALA 116  10.120  -1.422  -1.422
  860    HA   ALA 116           HA       ALA 116   9.806   0.555   0.555
  861   1HB   ALA 116           HB3      ALA 116   9.627   0.670   0.670
  862   2HB   ALA 116           HB2      ALA 116  11.325   1.135   1.135
  863   3HB   ALA 116           HB1      ALA 116  10.091   2.096   2.096
  864    H    ILE 117           HN       ILE 117  12.610  -1.102  -1.102
  865    HA   ILE 117           HA       ILE 117  14.592   0.613   0.613
  866    HB   ILE 117           HB       ILE 117  14.685  -2.299  -2.299
  867   1HG1  ILE 117          HG12      ILE 117  15.982   0.073   0.073
  868   2HG1  ILE 117          HG11      ILE 117  14.346  -0.450  -0.450
  869   1HG2  ILE 117          HG21      ILE 117  16.645  -0.663  -0.663
  870   2HG2  ILE 117          HG23      ILE 117  17.279  -1.452  -1.452
  871   3HG2  ILE 117          HG22      ILE 117  16.535  -2.415  -2.415
  872   1HD1  ILE 117          HD11      ILE 117  16.327  -2.593  -2.593
  873   2HD1  ILE 117          HD13      ILE 117  16.602  -1.303  -1.303
  874   3HD1  ILE 117          HD12      ILE 117  15.065  -2.166  -2.166
  875    H    ARG 118           HN       ARG 118  12.991  -2.301  -2.301
  876    HA   ARG 118           HA       ARG 118  14.529  -2.393  -2.393
  877   1HB   ARG 118           HB2      ARG 118  12.957  -4.093  -4.093
  878   2HB   ARG 118           HB1      ARG 118  13.418  -4.386  -4.386
  879   1HG   ARG 118           HG1      ARG 118  11.347  -3.865  -3.865
  880   2HG   ARG 118           HG2      ARG 118  10.960  -2.806  -2.806
  881   1HD   ARG 118           HD2      ARG 118   9.976  -4.465  -4.465
  882   2HD   ARG 118           HD1      ARG 118  11.380  -5.509  -5.509
  883    HE   ARG 118           HE       ARG 118   8.980  -5.476  -5.476
  884   1HH1  ARG 118          HH21      ARG 118  12.298  -6.502  -6.502
  885   2HH1  ARG 118          HH22      ARG 118  12.139  -7.773  -7.773
  886   1HH2  ARG 118          HH11      ARG 118   8.765  -7.142  -7.142
  887   2HH2  ARG 118          HH12      ARG 118  10.131  -8.138  -8.138
  888    H    GLU 119           HN       GLU 119  11.924  -0.513  -0.513
  889    HA   GLU 119           HA       GLU 119  10.882   0.076   0.076
  890   1HB   GLU 119           HB1      GLU 119  10.050   0.537   0.537
  891   2HB   GLU 119           HB2      GLU 119   9.798   1.939   1.939
  892   1HG   GLU 119           HG1      GLU 119   8.106   0.978   0.978
  893   2HG   GLU 119           HG2      GLU 119   8.914  -0.586  -0.586
  894    H    GLY 120           HN       GLY 120  12.331   1.982   1.982
  895   1HA   GLY 120           HA1      GLY 120  14.237   3.410   3.410
  896   2HA   GLY 120           HA2      GLY 120  13.565   3.695   3.695
  897    H    HIS 121           HN       HIS 121  10.998   3.714   3.714
  898    HA   HIS 121           HA       HIS 121  10.469   6.441   6.441
  899   1HB   HIS 121           HB2      HIS 121   9.369   4.299   4.299
  900   2HB   HIS 121           HB1      HIS 121   8.825   5.966   5.966
  901    HD2  HIS 121           HD2      HIS 121   7.123   3.235   3.235
  902    HE1  HIS 121           HE1      HIS 121   6.941   5.810   5.810
  903    HE2  HIS 121           HE2      HIS 121   5.841   3.858   3.858
  904    H    SER 122           HN       SER 122  12.534   7.361   7.361
  905    HA   SER 122           HA       SER 122  13.927   7.273   7.273
  906   1HB   SER 122           HB2      SER 122  13.762   9.979   9.979
  907   2HB   SER 122           HB1      SER 122  14.761   8.980   8.980
  908    HG   SER 122           HG       SER 122  12.083   9.734   9.734
  909    H    SER 123           HN       SER 123  10.863   9.050   9.050
  910    HA   SER 123           HA       SER 123  10.760   9.952   9.952
  911   1HB   SER 123           HB2      SER 123   8.905   9.782   9.782
  912   2HB   SER 123           HB1      SER 123   8.123   9.738   9.738
  913    HG   SER 123           HG       SER 123  10.100  11.638  11.638
  914    H    VAL 124           HN       VAL 124   9.300   7.095   7.095
  915    HA   VAL 124           HA       VAL 124   8.109   6.123   6.123
  916    HB   VAL 124           HB       VAL 124   8.735   4.779   4.779
  917   1HG1  VAL 124          HG11      VAL 124   8.806   3.094   3.094
  918   2HG1  VAL 124          HG13      VAL 124   7.236   3.636   3.636
  919   3HG1  VAL 124          HG12      VAL 124   7.367   2.898   2.898
  920   1HG2  VAL 124          HG23      VAL 124   6.982   6.521   6.521
  921   2HG2  VAL 124          HG22      VAL 124   6.351   4.919   4.919
  922   3HG2  VAL 124          HG21      VAL 124   6.113   5.596   5.596
  923    H    VAL 125           HN       VAL 125  10.892   4.836   4.836
  924    HA   VAL 125           HA       VAL 125  11.716   2.926   2.926
  925    HB   VAL 125           HB       VAL 125  13.761   4.549   4.549
  926   1HG1  VAL 125          HG12      VAL 125  14.250   2.517   2.517
  927   2HG1  VAL 125          HG11      VAL 125  13.536   1.564   1.564
  928   3HG1  VAL 125          HG13      VAL 125  14.964   2.553   2.553
  929   1HG2  VAL 125          HG21      VAL 125  11.603   2.850   2.850
  930   2HG2  VAL 125          HG23      VAL 125  12.244   4.396   4.396
  931   3HG2  VAL 125          HG22      VAL 125  13.190   2.923   2.923
  932    H    SER 126           HN       SER 126  12.623   6.362   6.362
  933    HA   SER 126           HA       SER 126  14.381   6.203   6.203
  934   1HB   SER 126           HB1      SER 126  14.542   8.585   8.585
  935   2HB   SER 126           HB2      SER 126  14.449   7.974   7.974
  936    HG   SER 126           HG       SER 126  13.007   9.623   9.623
  937    H    PHE 127           HN       PHE 127  10.986   6.748   6.748
  938    HA   PHE 127           HA       PHE 127  10.531   7.830   7.830
  939   1HB   PHE 127           HB2      PHE 127   8.859   8.371   8.371
  940   2HB   PHE 127           HB1      PHE 127   8.752   6.721   6.721
  941    HD1  PHE 127           HD2      PHE 127   8.053   8.819   8.819
  942    HD2  PHE 127           HD1      PHE 127   7.138   5.258   5.258
  943    HE1  PHE 127           HE2      PHE 127   6.156   8.392   8.392
  944    HE2  PHE 127           HE1      PHE 127   5.240   4.825   4.825
  945    HZ   PHE 127           HZ       PHE 127   4.747   6.392   6.392
  946    H    LEU 128           HN       LEU 128   9.450   4.719   4.719
  947    HA   LEU 128           HA       LEU 128   8.937   3.562   3.562
  948   1HB   LEU 128           HB2      LEU 128   8.152   1.791   1.791
  949   2HB   LEU 128           HB1      LEU 128   8.221   2.923   2.923
  950    HG   LEU 128           HG       LEU 128   9.159   0.951   0.951
  951   1HD1  LEU 128          HD21      LEU 128  10.650   3.208   3.208
  952   2HD1  LEU 128          HD23      LEU 128  11.769   2.033   2.033
  953   3HD1  LEU 128          HD22      LEU 128  11.086   1.763   1.763
  954   1HD2  LEU 128          HD11      LEU 128   9.582   0.245   0.245
  955   2HD2  LEU 128          HD13      LEU 128  10.215  -0.631  -0.631
  956   3HD2  LEU 128          HD12      LEU 128  11.231   0.536   0.536
  957    H    ALA 129           HN       ALA 129  11.845   4.256   4.256
  958    HA   ALA 129           HA       ALA 129  13.483   2.087   2.087
  959   1HB   ALA 129           HB1      ALA 129  13.890   5.006   5.006
  960   2HB   ALA 129           HB3      ALA 129  15.186   4.082   4.082
  961   3HB   ALA 129           HB2      ALA 129  14.667   3.689   3.689
  962    HA   PRO 130           HA       PRO 130  14.488   3.466   3.466
  963   1HB   PRO 130           HB2      PRO 130  13.409   5.757   5.757
  964   2HB   PRO 130           HB1      PRO 130  14.924   5.727   5.727
  965   1HG   PRO 130           HG1      PRO 130  12.160   6.403   6.403
  966   2HG   PRO 130           HG2      PRO 130  13.692   7.223   7.223
  967   1HD   PRO 130           HD2      PRO 130  12.525   5.499   5.499
  968   2HD   PRO 130           HD1      PRO 130  14.286   5.689   5.689
  969    H    GLU 131           HN       GLU 131  11.225   4.303   4.303
  970    HA   GLU 131           HA       GLU 131   9.807   3.854   3.854
  971   1HB   GLU 131           HB1      GLU 131   9.017   3.340   3.340
  972   2HB   GLU 131           HB2      GLU 131   7.893   3.252   3.252
  973   1HG   GLU 131           HG2      GLU 131   9.501   5.724   5.724
  974   2HG   GLU 131           HG1      GLU 131   8.012   5.412   5.412
  975    H    SER 132           HN       SER 132  11.479   1.658   1.658
  976    HA   SER 132           HA       SER 132  10.154  -0.646  -0.646
  977   1HB   SER 132           HB2      SER 132  11.444  -1.935  -1.935
  978   2HB   SER 132           HB1      SER 132  10.108  -0.920  -0.920
  979    HG   SER 132           HG       SER 132  12.883  -0.373  -0.373
  980    H    ASP 133           HN       ASP 133  12.056  -2.556  -2.556
  981    HA   ASP 133           HA       ASP 133  13.986  -1.650  -1.650
  982   1HB   ASP 133           HB1      ASP 133  14.436  -4.201  -4.201
  983   2HB   ASP 133           HB2      ASP 133  12.919  -3.585  -3.585
  984    H    LEU 134           HN       LEU 134  15.392  -0.521  -0.521
  985    HA   LEU 134           HA       LEU 134  16.558  -1.542  -1.542
  986   1HB   LEU 134           HB2      LEU 134  17.155   0.603   0.603
  987   2HB   LEU 134           HB1      LEU 134  18.512   0.049   0.049
  988    HG   LEU 134           HG       LEU 134  16.437   0.391   0.391
  989   1HD1  LEU 134          HD23      LEU 134  16.539   2.685   2.685
  990   2HD1  LEU 134          HD22      LEU 134  15.739   2.710   2.710
  991   3HD1  LEU 134          HD21      LEU 134  15.162   1.627   1.627
  992   1HD2  LEU 134          HD11      LEU 134  19.068   1.070   1.070
  993   2HD2  LEU 134          HD13      LEU 134  18.020   1.559   1.559
  994   3HD2  LEU 134          HD12      LEU 134  18.279   2.647   2.647
  995    H    HIS 135           HN       HIS 135  16.874  -3.808  -3.808
  996    HA   HIS 135           HA       HIS 135  19.537  -4.472  -4.472
  997   1HB   HIS 135           HB1      HIS 135  19.982  -4.802  -4.802
  998   2HB   HIS 135           HB2      HIS 135  18.815  -3.497  -3.497
  999    HD2  HIS 135           HD2      HIS 135  19.379  -7.036  -7.036
 1000    HE1  HIS 135           HE1      HIS 135  15.326  -6.099  -6.099
 1001    HE2  HIS 135           HE2      HIS 135  17.247  -7.657  -7.657
 1002    H    HIS 136           HN       HIS 136  16.240  -5.408  -5.408
 1003    HA   HIS 136           HA       HIS 136  16.416  -8.138  -8.138
 1004   1HB   HIS 136           HB1      HIS 136  14.350  -6.662  -6.662
 1005   2HB   HIS 136           HB2      HIS 136  14.205  -6.728  -6.728
 1006    HD2  HIS 136           HD2      HIS 136  12.543  -8.652  -8.652
 1007    HE1  HIS 136           HE1      HIS 136  13.129 -11.269 -11.269
 1008    HE2  HIS 136           HE2      HIS 136  11.739 -10.804 -10.804
 1009    H    ARG 137           HN       ARG 137  15.461  -9.645  -9.645
 1010    HA   ARG 137           HA       ARG 137  16.688  -9.002  -9.002
 1011   1HB   ARG 137           HB1      ARG 137  16.768 -11.760 -11.760
 1012   2HB   ARG 137           HB2      ARG 137  17.656 -11.161 -11.161
 1013   1HG   ARG 137           HG1      ARG 137  19.130  -9.918  -9.918
 1014   2HG   ARG 137           HG2      ARG 137  18.087 -10.047 -10.047
 1015   1HD   ARG 137           HD2      ARG 137  18.609 -12.326 -12.326
 1016   2HD   ARG 137           HD1      ARG 137  19.332 -12.453 -12.453
 1017    HE   ARG 137           HE       ARG 137  20.635 -11.648 -11.648
 1018   1HH1  ARG 137          HH11      ARG 137  20.512 -11.016 -11.016
 1019   2HH1  ARG 137          HH12      ARG 137  22.152 -10.467 -10.467
 1020   1HH2  ARG 137          HH21      ARG 137  22.796 -10.928 -10.928
 1021   2HH2  ARG 137          HH22      ARG 137  23.451 -10.414 -10.414
 1022    H    ASP 138           HN       ASP 138  15.982 -10.748 -10.748
 1023    HA   ASP 138           HA       ASP 138  13.150 -11.425 -11.425
 1024   1HB   ASP 138           HB2      ASP 138  13.081  -9.448  -9.448
 1025   2HB   ASP 138           HB1      ASP 138  12.792 -10.800 -10.800
 1026    H    ALA 139           HN       ALA 139  12.369 -13.000 -13.000
 1027    HA   ALA 139           HA       ALA 139  13.838 -15.341 -15.341
 1028   1HB   ALA 139           HB1      ALA 139  11.393 -15.092 -15.092
 1029   2HB   ALA 139           HB3      ALA 139  11.888 -14.656 -14.656
 1030   3HB   ALA 139           HB2      ALA 139  12.279 -16.250 -16.250
 1031    H    SER 140           HN       SER 140  14.218 -12.605 -12.605
 1032    HA   SER 140           HA       SER 140  15.448 -13.750 -13.750
 1033   1HB   SER 140           HB2      SER 140  14.832 -11.152 -11.152
 1034   2HB   SER 140           HB1      SER 140  16.536 -11.164 -11.164
 1035    HG   SER 140           HG       SER 140  16.000 -11.681 -11.681
 1036    H    GLY 141           HN       GLY 141  16.851 -12.220 -12.220
 1037   1HA   GLY 141           HA2      GLY 141  18.725 -13.465 -13.465
 1038   2HA   GLY 141           HA1      GLY 141  19.354 -13.685 -13.685
 1039    H    LEU 142           HN       LEU 142  17.948 -10.644 -10.644
 1040    HA   LEU 142           HA       LEU 142  20.517  -9.426  -9.426
 1041   1HB   LEU 142           HB1      LEU 142  19.622  -7.604  -7.604
 1042   2HB   LEU 142           HB2      LEU 142  20.732  -8.893  -8.893
 1043    HG   LEU 142           HG       LEU 142  18.339 -10.122 -10.122
 1044   1HD1  LEU 142          HD21      LEU 142  17.869  -7.238  -7.238
 1045   2HD1  LEU 142          HD23      LEU 142  17.372  -8.067  -8.067
 1046   3HD1  LEU 142          HD22      LEU 142  16.723  -8.577  -8.577
 1047   1HD2  LEU 142          HD13      LEU 142  19.979  -8.465  -8.465
 1048   2HD2  LEU 142          HD12      LEU 142  20.181 -10.177 -10.177
 1049   3HD2  LEU 142          HD11      LEU 142  18.744  -9.625  -9.625
 1050    H    THR 143           HN       THR 143  20.326  -7.164  -7.164
 1051    HA   THR 143           HA       THR 143  17.726  -6.669  -6.669
 1052    HB   THR 143           HB       THR 143  18.779  -6.149  -6.149
 1053    HG1  THR 143           HG1      THR 143  21.059  -5.035  -5.035
 1054   1HG2  THR 143          HG21      THR 143  20.093  -8.186  -8.186
 1055   2HG2  THR 143          HG23      THR 143  21.409  -7.025  -7.025
 1056   3HG2  THR 143          HG22      THR 143  20.687  -7.325  -7.325
 1057    HA   PRO 144           HA       PRO 144  17.045  -2.555  -2.555
 1058   1HB   PRO 144           HB2      PRO 144  18.542  -1.371  -1.371
 1059   2HB   PRO 144           HB1      PRO 144  16.965  -0.926  -0.926
 1060   1HG   PRO 144           HG2      PRO 144  17.152  -2.366  -2.366
 1061   2HG   PRO 144           HG1      PRO 144  15.881  -2.689  -2.689
 1062   1HD   PRO 144           HD2      PRO 144  18.333  -4.244  -4.244
 1063   2HD   PRO 144           HD1      PRO 144  16.768  -4.801  -4.801
 1064    H    LEU 145           HN       LEU 145  20.208  -2.300  -2.300
 1065    HA   LEU 145           HA       LEU 145  21.391  -0.607  -0.607
 1066   1HB   LEU 145           HB2      LEU 145  22.163  -1.933  -1.933
 1067   2HB   LEU 145           HB1      LEU 145  23.352  -2.359  -2.359
 1068    HG   LEU 145           HG       LEU 145  22.704   0.330   0.330
 1069   1HD1  LEU 145          HD12      LEU 145  24.543  -1.233  -1.233
 1070   2HD1  LEU 145          HD11      LEU 145  25.379  -0.852  -0.852
 1071   3HD1  LEU 145          HD13      LEU 145  24.993   0.433   0.433
 1072   1HD2  LEU 145          HD21      LEU 145  23.773  -0.268  -0.268
 1073   2HD2  LEU 145          HD23      LEU 145  22.581   0.934   0.934
 1074   3HD2  LEU 145          HD22      LEU 145  24.287   1.176   1.176
 1075    H    GLU 146           HN       GLU 146  21.509  -4.140  -4.140
 1076    HA   GLU 146           HA       GLU 146  23.249  -4.721  -4.721
 1077   1HB   GLU 146           HB2      GLU 146  22.112  -6.297  -6.297
 1078   2HB   GLU 146           HB1      GLU 146  20.799  -6.385  -6.385
 1079   1HG   GLU 146           HG1      GLU 146  23.178  -6.835  -6.835
 1080   2HG   GLU 146           HG2      GLU 146  23.274  -7.800  -7.800
 1081    H    LEU 147           HN       LEU 147  19.683  -4.797  -4.797
 1082    HA   LEU 147           HA       LEU 147  19.521  -5.082  -5.082
 1083   1HB   LEU 147           HB2      LEU 147  17.721  -4.743  -4.743
 1084   2HB   LEU 147           HB1      LEU 147  17.479  -3.299  -3.299
 1085    HG   LEU 147           HG       LEU 147  17.056  -6.167  -6.167
 1086   1HD1  LEU 147          HD11      LEU 147  15.399  -4.007  -4.007
 1087   2HD1  LEU 147          HD13      LEU 147  15.090  -4.338  -4.338
 1088   3HD1  LEU 147          HD12      LEU 147  14.924  -5.627  -5.627
 1089   1HD2  LEU 147          HD21      LEU 147  17.924  -3.940  -3.940
 1090   2HD2  LEU 147          HD23      LEU 147  18.004  -5.680  -5.680
 1091   3HD2  LEU 147          HD22      LEU 147  16.500  -4.807  -4.807
 1092    H    ALA 148           HN       ALA 148  19.740  -2.115  -2.115
 1093    HA   ALA 148           HA       ALA 148  19.400  -0.231  -0.231
 1094   1HB   ALA 148           HB1      ALA 148  20.593  -0.288  -0.288
 1095   2HB   ALA 148           HB3      ALA 148  21.355   0.886   0.886
 1096   3HB   ALA 148           HB2      ALA 148  19.618   0.959   0.959
 1097    H    ARG 149           HN       ARG 149  22.331  -1.971  -1.971
 1098    HA   ARG 149           HA       ARG 149  24.115  -0.671  -0.671
 1099   1HB   ARG 149           HB2      ARG 149  24.997  -2.031  -2.031
 1100   2HB   ARG 149           HB1      ARG 149  24.134  -3.449  -3.449
 1101   1HG   ARG 149           HG2      ARG 149  25.529  -3.281  -3.281
 1102   2HG   ARG 149           HG1      ARG 149  26.508  -2.090  -2.090
 1103   1HD   ARG 149           HD2      ARG 149  27.693  -3.819  -3.819
 1104   2HD   ARG 149           HD1      ARG 149  26.312  -4.162  -4.162
 1105    HE   ARG 149           HE       ARG 149  26.044  -6.078  -6.078
 1106   1HH1  ARG 149          HH21      ARG 149  27.493  -3.702  -3.702
 1107   2HH1  ARG 149          HH22      ARG 149  27.593  -4.769  -4.769
 1108   1HH2  ARG 149          HH11      ARG 149  26.173  -7.494  -7.494
 1109   2HH2  ARG 149          HH12      ARG 149  26.840  -6.926  -6.926
 1110    H    GLN 150           HN       GLN 150  21.908  -3.358  -3.358
 1111    HA   GLN 150           HA       GLN 150  22.810  -4.128  -4.128
 1112   1HB   GLN 150           HB2      GLN 150  21.599  -5.833  -5.833
 1113   2HB   GLN 150           HB1      GLN 150  20.481  -4.738  -4.738
 1114   1HG   GLN 150           HG1      GLN 150  18.999  -4.878  -4.878
 1115   2HG   GLN 150           HG2      GLN 150  20.229  -4.682  -4.682
 1116   1HE2  GLN 150          HE22      GLN 150  20.774  -8.153  -8.153
 1117   2HE2  GLN 150          HE21      GLN 150  21.537  -6.604  -6.604
 1118    H    ARG 151           HN       ARG 151  19.545  -2.934  -2.934
 1119    HA   ARG 151           HA       ARG 151  19.382  -1.651  -1.651
 1120   1HB   ARG 151           HB1      ARG 151  17.459  -2.722  -2.722
 1121   2HB   ARG 151           HB2      ARG 151  17.479  -1.287  -1.287
 1122   1HG   ARG 151           HG2      ARG 151  16.210  -0.221  -0.221
 1123   2HG   ARG 151           HG1      ARG 151  17.428  -0.453  -0.453
 1124   1HD   ARG 151           HD2      ARG 151  15.896  -2.865  -2.865
 1125   2HD   ARG 151           HD1      ARG 151  14.880  -1.518  -1.518
 1126    HE   ARG 151           HE       ARG 151  16.624  -3.024  -3.024
 1127   1HH1  ARG 151          HH11      ARG 151  15.475   0.220   0.220
 1128   2HH1  ARG 151          HH12      ARG 151  15.719   0.714   0.714
 1129   1HH2  ARG 151          HH21      ARG 151  16.951  -2.385  -2.385
 1130   2HH2  ARG 151          HH22      ARG 151  16.558  -0.767  -0.767
 1131    H    GLY 152           HN       GLY 152  21.481  -0.467  -0.467
 1132   1HA   GLY 152           HA1      GLY 152  21.200   1.734   1.734
 1133   2HA   GLY 152           HA2      GLY 152  22.524   1.473   1.473
 1134    H    ALA 153           HN       ALA 153  19.037   2.044   2.044
 1135    HA   ALA 153           HA       ALA 153  18.862   3.339   3.339
 1136   1HB   ALA 153           HB1      ALA 153  17.560   4.101   4.101
 1137   2HB   ALA 153           HB3      ALA 153  17.148   4.883   4.883
 1138   3HB   ALA 153           HB2      ALA 153  16.890   3.149   3.149
 1139    H    GLN 154           HN       GLN 154  20.192   4.740   4.740
 1140    HA   GLN 154           HA       GLN 154  22.056   6.353   6.353
 1141   1HB   GLN 154           HB2      GLN 154  20.837   8.639   8.639
 1142   2HB   GLN 154           HB1      GLN 154  20.599   7.746   7.746
 1143   1HG   GLN 154           HG2      GLN 154  18.512   8.662   8.662
 1144   2HG   GLN 154           HG1      GLN 154  18.481   6.904   6.904
 1145   1HE2  GLN 154          HE22      GLN 154  17.603   6.511   6.511
 1146   2HE2  GLN 154          HE21      GLN 154  17.679   5.898   5.898
 1147    H    ASN 155           HN       ASN 155  20.606   8.527   8.527
 1148    HA   ASN 155           HA       ASN 155  22.451   7.894   7.894
 1149   1HB   ASN 155           HB2      ASN 155  20.188   9.901   9.901
 1150   2HB   ASN 155           HB1      ASN 155  21.454   9.823   9.823
 1151   1HD2  ASN 155          HD22      ASN 155  23.035  12.275  12.275
 1152   2HD2  ASN 155          HD21      ASN 155  22.145  11.906  11.906
 1153    H    LEU 156           HN       LEU 156  19.727   6.313   6.313
 1154    HA   LEU 156           HA       LEU 156  18.139   6.202   6.202
 1155   1HB   LEU 156           HB2      LEU 156  17.079   4.616   4.616
 1156   2HB   LEU 156           HB1      LEU 156  18.294   4.835   4.835
 1157    HG   LEU 156           HG       LEU 156  19.638   3.028   3.028
 1158   1HD1  LEU 156          HD22      LEU 156  17.326   3.132   3.132
 1159   2HD1  LEU 156          HD21      LEU 156  17.850   1.518   1.518
 1160   3HD1  LEU 156          HD23      LEU 156  18.988   2.619   2.619
 1161   1HD2  LEU 156          HD11      LEU 156  16.895   2.374   2.374
 1162   2HD2  LEU 156          HD13      LEU 156  18.385   2.542   2.542
 1163   3HD2  LEU 156          HD12      LEU 156  18.194   1.199   1.199
 1164    H    MET 157           HN       MET 157  20.977   4.174   4.174
 1165    HA   MET 157           HA       MET 157  20.989   2.640   2.640
 1166   1HB   MET 157           HB1      MET 157  23.127   2.009   2.009
 1167   2HB   MET 157           HB2      MET 157  22.503   2.607   2.607
 1168   1HG   MET 157           HG1      MET 157  24.600   3.554   3.554
 1169   2HG   MET 157           HG2      MET 157  23.562   4.847   4.847
 1170   1HE   MET 157           HE3      MET 157  25.376   1.736   1.736
 1171   2HE   MET 157           HE2      MET 157  26.389   2.164   2.164
 1172   3HE   MET 157           HE1      MET 157  24.697   1.731   1.731
 1173    H    ASP 158           HN       ASP 158  22.114   5.924   5.924
 1174    HA   ASP 158           HA       ASP 158  23.434   6.126   6.126
 1175   1HB   ASP 158           HB2      ASP 158  22.462   8.613   8.613
 1176   2HB   ASP 158           HB1      ASP 158  23.505   7.612   7.612
 1177    H    ILE 159           HN       ILE 159  20.254   7.118   7.118
 1178    HA   ILE 159           HA       ILE 159  19.335   8.528   8.528
 1179    HB   ILE 159           HB       ILE 159  17.694   6.640   6.640
 1180   1HG1  ILE 159          HG11      ILE 159  17.935   9.569   9.569
 1181   2HG1  ILE 159          HG12      ILE 159  19.199   8.499   8.499
 1182   1HG2  ILE 159          HG21      ILE 159  17.099   8.558   8.558
 1183   2HG2  ILE 159          HG23      ILE 159  16.223   8.875   8.875
 1184   3HG2  ILE 159          HG22      ILE 159  16.083   7.303   7.303
 1185   1HD1  ILE 159          HD11      ILE 159  16.844   7.267   7.267
 1186   2HD1  ILE 159          HD13      ILE 159  16.590   8.986   8.986
 1187   3HD1  ILE 159          HD12      ILE 159  17.973   8.158   8.158
 1188    H    LEU 160           HN       LEU 160  19.254   5.023   5.023
 1189    HA   LEU 160           HA       LEU 160  17.895   4.449   4.449
 1190   1HB   LEU 160           HB2      LEU 160  19.576   2.439   2.439
 1191   2HB   LEU 160           HB1      LEU 160  18.050   2.216   2.216
 1192    HG   LEU 160           HG       LEU 160  18.562   3.251   3.251
 1193   1HD1  LEU 160          HD13      LEU 160  17.882   0.832   0.832
 1194   2HD1  LEU 160          HD12      LEU 160  16.270   1.544   1.544
 1195   3HD1  LEU 160          HD11      LEU 160  17.171   1.561   1.561
 1196   1HD2  LEU 160          HD22      LEU 160  16.399   4.109   4.109
 1197   2HD2  LEU 160          HD21      LEU 160  17.230   5.006   5.006
 1198   3HD2  LEU 160          HD23      LEU 160  15.997   3.817   3.817
 1199    H    GLN 161           HN       GLN 161  21.262   4.589   4.589
 1200    HA   GLN 161           HA       GLN 161  22.356   3.368   3.368
 1201   1HB   GLN 161           HB2      GLN 161  23.333   4.718   4.718
 1202   2HB   GLN 161           HB1      GLN 161  24.272   5.145   5.145
 1203   1HG   GLN 161           HG2      GLN 161  23.670   2.280   2.280
 1204   2HG   GLN 161           HG1      GLN 161  24.915   3.085   3.085
 1205   1HE2  GLN 161          HE22      GLN 161  27.175   3.452   3.452
 1206   2HE2  GLN 161          HE21      GLN 161  26.659   4.124   4.124
 1207    H    GLY 162           HN       GLY 162  21.553   6.698   6.698
 1208   1HA   GLY 162           HA1      GLY 162  22.796   7.897   7.897
 1209   2HA   GLY 162           HA2      GLY 162  21.544   8.624   8.624
 1210    H    HIS 163           HN       HIS 163  19.404   7.020   7.020
 1211    HA   HIS 163           HA       HIS 163  18.549   7.771   7.771
 1212   1HB   HIS 163           HB1      HIS 163  17.264   6.306   6.306
 1213   2HB   HIS 163           HB2      HIS 163  16.465   6.411   6.411
 1214    HD2  HIS 163           HD2      HIS 163  16.197   8.156   8.156
 1215    HE1  HIS 163           HE1      HIS 163  15.798  11.225  11.225
 1216    HE2  HIS 163           HE2      HIS 163  15.637  10.653  10.653
 1217    H    MET 164           HN       MET 164  20.259   5.133   5.133
 1218    HA   MET 164           HA       MET 164  19.216   2.968   2.968
 1219   1HB   MET 164           HB1      MET 164  21.074   2.961   2.961
 1220   2HB   MET 164           HB2      MET 164  22.160   3.455   3.455
 1221   1HG   MET 164           HG1      MET 164  20.750   1.234   1.234
 1222   2HG   MET 164           HG2      MET 164  21.217   0.843   0.843
 1223   1HE   MET 164           HE3      MET 164  23.039  -0.800  -0.800
 1224   2HE   MET 164           HE2      MET 164  23.700   0.606   0.606
 1225   3HE   MET 164           HE1      MET 164  24.697  -0.285  -0.285
 1226    H    MET 165           HN       MET 165  18.580   3.362   3.362
 1227    HA   MET 165           HA       MET 165  20.237   4.735   4.735
 1228   1HB   MET 165           HB1      MET 165  17.934   4.955   4.955
 1229   2HB   MET 165           HB2      MET 165  17.640   3.235   3.235
 1230   1HG   MET 165           HG2      MET 165  17.455   3.985   3.985
 1231   2HG   MET 165           HG1      MET 165  18.667   2.728   2.728
 1232   1HE   MET 165           HE1      MET 165  18.027   4.803   4.803
 1233   2HE   MET 165           HE3      MET 165  19.475   3.908   3.908
 1234   3HE   MET 165           HE2      MET 165  19.484   5.671   5.671
 1235    H    ILE 166           HN       ILE 166  21.818   3.922   3.922
 1236    HA   ILE 166           HA       ILE 166  22.150   1.008   1.008
 1237    HB   ILE 166           HB       ILE 166  24.159   3.161   3.161
 1238   1HG1  ILE 166          HG11      ILE 166  24.330   1.380   1.380
 1239   2HG1  ILE 166          HG12      ILE 166  23.303   2.808   2.808
 1240   1HG2  ILE 166          HG21      ILE 166  24.106   0.361   0.361
 1241   2HG2  ILE 166          HG23      ILE 166  25.375   0.697   0.697
 1242   3HG2  ILE 166          HG22      ILE 166  25.367   1.535   1.535
 1243   1HD1  ILE 166          HD13      ILE 166  25.485   3.981   3.981
 1244   2HD1  ILE 166          HD12      ILE 166  26.253   2.596   2.596
 1245   3HD1  ILE 166          HD11      ILE 166  25.230   3.680   3.680
 1246    HA   PRO 167           HA       PRO 167  20.593   0.954   0.954
 1247   1HB   PRO 167           HB2      PRO 167  22.378  -1.436  -1.436
 1248   2HB   PRO 167           HB1      PRO 167  20.692  -1.274  -1.274
 1249   1HG   PRO 167           HG2      PRO 167  21.312  -2.485  -2.485
 1250   2HG   PRO 167           HG1      PRO 167  19.890  -1.433  -1.433
 1251   1HD   PRO 167           HD1      PRO 167  22.533  -0.916  -0.916
 1252   2HD   PRO 167           HD2      PRO 167  20.918  -0.354  -0.354
 1253    H    MET 168           HN       MET 168  21.347   2.034   2.034
 1254    HA   MET 168           HA       MET 168  24.073   1.667   1.667
 1255   1HB   MET 168           HB1      MET 168  23.132   4.128   4.128
 1256   2HB   MET 168           HB2      MET 168  24.067   4.361   4.361
 1257   1HG   MET 168           HG1      MET 168  25.940   3.235   3.235
 1258   2HG   MET 168           HG2      MET 168  25.006   2.641   2.641
 1259   1HE   MET 168           HE3      MET 168  27.678   4.447   4.447
 1260   2HE   MET 168           HE2      MET 168  27.803   4.204   4.204
 1261   3HE   MET 168           HE1      MET 168  27.822   5.837   5.837

  Start of MODEL   20
    1   1H    GLY   1           HT1      GLY   1 -34.311  -7.873  -7.873
    2   2H    GLY   1           HT3      GLY   1 -35.784  -8.577  -8.577
    3   3H    GLY   1           HT2      GLY   1 -35.632  -7.805  -7.805
    4   1HA   GLY   1           HA1      GLY   1 -35.526 -10.066 -10.066
    5   2HA   GLY   1           HA2      GLY   1 -34.485 -10.385 -10.385
    6    H    SER   2           HN       SER   2 -34.621  -8.815  -8.815
    7    HA   SER   2           HA       SER   2 -31.706  -9.188  -9.188
    8   1HB   SER   2           HB1      SER   2 -33.428  -6.943  -6.943
    9   2HB   SER   2           HB2      SER   2 -31.778  -7.233  -7.233
   10    HG   SER   2           HG       SER   2 -32.532  -6.780  -6.780
   11    H    MET   3           HN       MET   3 -32.745 -11.353 -11.353
   12    HA   MET   3           HA       MET   3 -33.918 -11.421 -11.421
   13   1HB   MET   3           HB1      MET   3 -32.558 -13.840 -13.840
   14   2HB   MET   3           HB2      MET   3 -34.160 -13.662 -13.662
   15   1HG   MET   3           HG2      MET   3 -34.734 -12.442 -12.442
   16   2HG   MET   3           HG1      MET   3 -33.274 -13.215 -13.215
   17   1HE   MET   3           HE3      MET   3 -34.087 -14.259 -14.259
   18   2HE   MET   3           HE2      MET   3 -34.531 -15.962 -15.962
   19   3HE   MET   3           HE1      MET   3 -35.781 -14.737 -14.737
   20    H    LEU   4           HN       LEU   4 -32.437 -13.616 -13.616
   21    HA   LEU   4           HA       LEU   4 -30.560 -12.216 -12.216
   22   1HB   LEU   4           HB2      LEU   4 -30.949 -15.180 -15.180
   23   2HB   LEU   4           HB1      LEU   4 -29.881 -14.491 -14.491
   24    HG   LEU   4           HG       LEU   4 -32.459 -13.307 -13.307
   25   1HD1  LEU   4          HD21      LEU   4 -32.480 -16.163 -16.163
   26   2HD1  LEU   4          HD23      LEU   4 -33.360 -15.734 -15.734
   27   3HD1  LEU   4          HD22      LEU   4 -33.772 -14.965 -14.965
   28   1HD2  LEU   4          HD11      LEU   4 -30.382 -14.517 -14.517
   29   2HD2  LEU   4          HD13      LEU   4 -31.665 -13.426 -13.426
   30   3HD2  LEU   4          HD12      LEU   4 -31.939 -15.168 -15.168
   31    H    LEU   5           HN       LEU   5 -28.740 -11.380 -11.380
   32    HA   LEU   5           HA       LEU   5 -26.618 -12.967 -12.967
   33   1HB   LEU   5           HB1      LEU   5 -28.092 -13.070 -13.070
   34   2HB   LEU   5           HB2      LEU   5 -27.871 -11.340 -11.340
   35    HG   LEU   5           HG       LEU   5 -25.373 -11.809 -11.809
   36   1HD1  LEU   5          HD21      LEU   5 -26.439 -14.537 -14.537
   37   2HD1  LEU   5          HD23      LEU   5 -25.231 -14.302 -14.302
   38   3HD1  LEU   5          HD22      LEU   5 -24.847 -13.896 -13.896
   39   1HD2  LEU   5          HD11      LEU   5 -26.853 -11.279 -11.279
   40   2HD2  LEU   5          HD13      LEU   5 -25.458 -12.277 -12.277
   41   3HD2  LEU   5          HD12      LEU   5 -27.054 -13.013 -13.013
   42    H    GLU   6           HN       GLU   6 -26.602 -11.183 -11.183
   43    HA   GLU   6           HA       GLU   6 -25.360  -8.758  -8.758
   44   1HB   GLU   6           HB2      GLU   6 -27.417  -8.869  -8.869
   45   2HB   GLU   6           HB1      GLU   6 -26.059  -8.827  -8.827
   46   1HG   GLU   6           HG1      GLU   6 -25.273  -6.823  -6.823
   47   2HG   GLU   6           HG2      GLU   6 -26.962  -6.773  -6.773
   48    H    GLU   7           HN       GLU   7 -25.034 -11.253 -11.253
   49    HA   GLU   7           HA       GLU   7 -23.262 -11.792 -11.792
   50   1HB   GLU   7           HB2      GLU   7 -22.478 -11.942 -11.942
   51   2HB   GLU   7           HB1      GLU   7 -21.120 -11.877 -11.877
   52   1HG   GLU   7           HG2      GLU   7 -21.888 -14.172 -14.172
   53   2HG   GLU   7           HG1      GLU   7 -21.823 -13.842 -13.842
   54    H    VAL   8           HN       VAL   8 -23.772  -8.987  -8.987
   55    HA   VAL   8           HA       VAL   8 -21.465  -8.036  -8.036
   56    HB   VAL   8           HB       VAL   8 -20.533  -7.944  -7.944
   57   1HG1  VAL   8          HG11      VAL   8 -23.063  -7.147  -7.147
   58   2HG1  VAL   8          HG13      VAL   8 -22.109  -5.671  -5.671
   59   3HG1  VAL   8          HG12      VAL   8 -21.625  -7.126  -7.126
   60   1HG2  VAL   8          HG23      VAL   8 -21.059  -5.277  -5.277
   61   2HG2  VAL   8          HG22      VAL   8 -19.706  -6.364  -6.364
   62   3HG2  VAL   8          HG21      VAL   8 -19.848  -5.557  -5.557
   63    H    CYS   9           HN       CYS   9 -21.904  -6.219  -6.219
   64    HA   CYS   9           HA       CYS   9 -24.638  -5.298  -5.298
   65   1HB   CYS   9           HB1      CYS   9 -22.262  -4.902  -4.902
   66   2HB   CYS   9           HB2      CYS   9 -23.594  -3.757  -3.757
   67    HG   CYS   9           HG       CYS   9 -24.114  -5.572  -5.572
   68    H    VAL  10           HN       VAL  10 -21.574  -3.473  -3.473
   69    HA   VAL  10           HA       VAL  10 -22.782  -1.559  -1.559
   70    HB   VAL  10           HB       VAL  10 -22.511  -0.775  -0.775
   71   1HG1  VAL  10          HG13      VAL  10 -19.635  -0.736  -0.736
   72   2HG1  VAL  10          HG12      VAL  10 -20.250   0.144   0.144
   73   3HG1  VAL  10          HG11      VAL  10 -20.317  -1.618  -1.618
   74   1HG2  VAL  10          HG21      VAL  10 -22.814   0.613   0.613
   75   2HG2  VAL  10          HG23      VAL  10 -22.228   1.429   1.429
   76   3HG2  VAL  10          HG22      VAL  10 -21.098   0.983   0.983
   77    H    GLY  11           HN       GLY  11 -20.339  -3.761  -3.761
   78   1HA   GLY  11           HA2      GLY  11 -17.978  -2.782  -2.782
   79   2HA   GLY  11           HA1      GLY  11 -18.595  -4.335  -4.335
   80    H    ASP  12           HN       ASP  12 -20.438  -3.964  -3.964
   81    HA   ASP  12           HA       ASP  12 -19.168  -3.069  -3.069
   82   1HB   ASP  12           HB2      ASP  12 -21.881  -2.876  -2.876
   83   2HB   ASP  12           HB1      ASP  12 -21.806  -4.071  -4.071
   84    H    ARG  13           HN       ARG  13 -20.725  -1.291  -1.291
   85    HA   ARG  13           HA       ARG  13 -21.124   1.039   1.039
   86   1HB   ARG  13           HB1      ARG  13 -22.864   0.218   0.218
   87   2HB   ARG  13           HB2      ARG  13 -21.792   0.885   0.885
   88   1HG   ARG  13           HG2      ARG  13 -23.062   2.717   2.717
   89   2HG   ARG  13           HG1      ARG  13 -21.969   2.997   2.997
   90   1HD   ARG  13           HD1      ARG  13 -24.371   1.312   1.312
   91   2HD   ARG  13           HD2      ARG  13 -24.601   3.051   3.051
   92    HE   ARG  13           HE       ARG  13 -22.521   2.553   2.553
   93   1HH1  ARG  13          HH21      ARG  13 -25.982   2.309   2.309
   94   2HH1  ARG  13          HH22      ARG  13 -26.271   2.500   2.500
   95   1HH2  ARG  13          HH11      ARG  13 -22.889   2.808   2.808
   96   2HH2  ARG  13          HH12      ARG  13 -24.512   2.784   2.784
   97    H    LEU  14           HN       LEU  14 -19.830   0.489   0.489
   98    HA   LEU  14           HA       LEU  14 -18.249   2.847   2.847
   99   1HB   LEU  14           HB1      LEU  14 -19.085   1.772   1.772
  100   2HB   LEU  14           HB2      LEU  14 -18.003   0.423   0.423
  101    HG   LEU  14           HG       LEU  14 -17.323   2.278   2.278
  102   1HD1  LEU  14          HD13      LEU  14 -15.945   0.386   0.386
  103   2HD1  LEU  14          HD12      LEU  14 -15.106   1.828   1.828
  104   3HD1  LEU  14          HD11      LEU  14 -15.215   1.496   1.496
  105   1HD2  LEU  14          HD22      LEU  14 -17.792   4.031   4.031
  106   2HD2  LEU  14          HD21      LEU  14 -16.393   4.233   4.233
  107   3HD2  LEU  14          HD23      LEU  14 -16.182   3.593   3.593
  108    H    SER  15           HN       SER  15 -17.232  -0.576  -0.576
  109    HA   SER  15           HA       SER  15 -14.541  -0.137  -0.137
  110   1HB   SER  15           HB2      SER  15 -14.784  -2.317  -2.317
  111   2HB   SER  15           HB1      SER  15 -16.382  -2.444  -2.444
  112    HG   SER  15           HG       SER  15 -15.478  -3.297  -3.297
  113    H    GLY  16           HN       GLY  16 -17.291  -0.163  -0.163
  114   1HA   GLY  16           HA1      GLY  16 -15.862  -0.502  -0.502
  115   2HA   GLY  16           HA2      GLY  16 -17.488   0.141   0.141
  116    H    ALA  17           HN       ALA  17 -17.132   2.384   2.384
  117    HA   ALA  17           HA       ALA  17 -16.043   4.190   4.190
  118   1HB   ALA  17           HB3      ALA  17 -18.035   4.537   4.537
  119   2HB   ALA  17           HB2      ALA  17 -16.803   4.993   4.993
  120   3HB   ALA  17           HB1      ALA  17 -16.962   5.898   5.898
  121    H    ALA  18           HN       ALA  18 -15.037   3.049   3.049
  122    HA   ALA  18           HA       ALA  18 -12.941   4.768   4.768
  123   1HB   ALA  18           HB2      ALA  18 -13.870   2.276   2.276
  124   2HB   ALA  18           HB1      ALA  18 -12.120   2.182   2.182
  125   3HB   ALA  18           HB3      ALA  18 -12.832   3.466   3.466
  126    H    ALA  19           HN       ALA  19 -12.896   1.781   1.781
  127    HA   ALA  19           HA       ALA  19 -10.110   1.954   1.954
  128   1HB   ALA  19           HB2      ALA  19 -11.379  -0.169  -0.169
  129   2HB   ALA  19           HB1      ALA  19 -12.233   0.370   0.370
  130   3HB   ALA  19           HB3      ALA  19 -10.490   0.102   0.102
  131    H    ARG  20           HN       ARG  20 -13.068   2.945   2.945
  132    HA   ARG  20           HA       ARG  20 -11.775   3.690   3.690
  133   1HB   ARG  20           HB1      ARG  20 -14.488   4.374   4.374
  134   2HB   ARG  20           HB2      ARG  20 -13.950   4.860   4.860
  135   1HG   ARG  20           HG2      ARG  20 -13.932   2.666   2.666
  136   2HG   ARG  20           HG1      ARG  20 -13.950   1.985   1.985
  137   1HD   ARG  20           HD1      ARG  20 -16.237   3.117   3.117
  138   2HD   ARG  20           HD2      ARG  20 -16.189   3.285   3.285
  139    HE   ARG  20           HE       ARG  20 -16.725   0.908   0.908
  140   1HH1  ARG  20          HH21      ARG  20 -15.310   2.113   2.113
  141   2HH1  ARG  20          HH22      ARG  20 -15.563   0.642   0.642
  142   1HH2  ARG  20          HH11      ARG  20 -17.059  -1.039  -1.039
  143   2HH2  ARG  20          HH12      ARG  20 -16.556  -1.150  -1.150
  144    H    GLY  21           HN       GLY  21 -11.759   5.050   5.050
  145   1HA   GLY  21           HA1      GLY  21 -10.198   7.009   7.009
  146   2HA   GLY  21           HA2      GLY  21 -11.240   7.742   7.742
  147    H    ASP  22           HN       ASP  22 -13.639   7.777   7.777
  148    HA   ASP  22           HA       ASP  22 -15.000   9.078   9.078
  149   1HB   ASP  22           HB1      ASP  22 -16.031   7.662   7.662
  150   2HB   ASP  22           HB2      ASP  22 -15.043   6.496   6.496
  151    H    VAL  23           HN       VAL  23 -12.399  10.117  10.117
  152    HA   VAL  23           HA       VAL  23 -11.342  10.521  10.521
  153    HB   VAL  23           HB       VAL  23 -10.116  11.361  11.361
  154   1HG1  VAL  23          HG12      VAL  23 -12.511  11.971  11.971
  155   2HG1  VAL  23          HG11      VAL  23 -11.913  13.577  13.577
  156   3HG1  VAL  23          HG13      VAL  23 -10.954  12.521  12.521
  157   1HG2  VAL  23          HG23      VAL  23 -11.183  13.635  13.635
  158   2HG2  VAL  23          HG22      VAL  23  -9.749  12.658  12.658
  159   3HG2  VAL  23          HG21      VAL  23  -9.782  13.757  13.757
  160    H    GLN  24           HN       GLN  24 -13.822  12.402  12.402
  161    HA   GLN  24           HA       GLN  24 -14.367  14.087  14.087
  162   1HB   GLN  24           HB2      GLN  24 -16.191  13.679  13.679
  163   2HB   GLN  24           HB1      GLN  24 -16.028  15.104  15.104
  164   1HG   GLN  24           HG1      GLN  24 -13.891  15.612  15.612
  165   2HG   GLN  24           HG2      GLN  24 -13.863  14.087  14.087
  166   1HE2  GLN  24          HE22      GLN  24 -16.458  16.999  16.999
  167   2HE2  GLN  24          HE21      GLN  24 -16.138  16.785  16.785
  168    H    GLU  25           HN       GLU  25 -15.670  11.129  11.129
  169    HA   GLU  25           HA       GLU  25 -18.062  11.103  11.103
  170   1HB   GLU  25           HB2      GLU  25 -16.727   9.374   9.374
  171   2HB   GLU  25           HB1      GLU  25 -17.554   8.473   8.473
  172   1HG   GLU  25           HG2      GLU  25 -19.017  10.689  10.689
  173   2HG   GLU  25           HG1      GLU  25 -18.762   9.201   9.201
  174    H    VAL  26           HN       VAL  26 -14.832   9.748   9.748
  175    HA   VAL  26           HA       VAL  26 -15.280   7.993   7.993
  176    HB   VAL  26           HB       VAL  26 -13.074   8.571   8.571
  177   1HG1  VAL  26          HG12      VAL  26 -13.140  10.954  10.954
  178   2HG1  VAL  26          HG11      VAL  26 -12.599  10.261  10.261
  179   3HG1  VAL  26          HG13      VAL  26 -11.599  10.102  10.102
  180   1HG2  VAL  26          HG23      VAL  26 -13.565   6.905   6.905
  181   2HG2  VAL  26          HG22      VAL  26 -11.895   7.310   7.310
  182   3HG2  VAL  26          HG21      VAL  26 -12.680   8.069   8.069
  183    H    ARG  27           HN       ARG  27 -15.041  11.494  11.494
  184    HA   ARG  27           HA       ARG  27 -14.930  11.738  11.738
  185   1HB   ARG  27           HB2      ARG  27 -15.978  13.853  13.853
  186   2HB   ARG  27           HB1      ARG  27 -15.141  14.066  14.066
  187   1HG   ARG  27           HG1      ARG  27 -13.479  12.616  12.616
  188   2HG   ARG  27           HG2      ARG  27 -14.047  14.115  14.115
  189   1HD   ARG  27           HD2      ARG  27 -12.562  13.798  13.798
  190   2HD   ARG  27           HD1      ARG  27 -11.990  14.576  14.576
  191    HE   ARG  27           HE       ARG  27 -14.353  15.819  15.819
  192   1HH1  ARG  27          HH21      ARG  27 -10.915  15.584  15.584
  193   2HH1  ARG  27          HH22      ARG  27 -10.783  17.158  17.158
  194   1HH2  ARG  27          HH11      ARG  27 -14.190  17.891  17.891
  195   2HH2  ARG  27          HH12      ARG  27 -12.645  18.469  18.469
  196    H    ARG  28           HN       ARG  28 -17.561  12.197  12.197
  197    HA   ARG  28           HA       ARG  28 -19.539  12.591  12.591
  198   1HB   ARG  28           HB1      ARG  28 -20.277  11.705  11.705
  199   2HB   ARG  28           HB2      ARG  28 -21.046  12.902  12.902
  200   1HG   ARG  28           HG1      ARG  28 -18.659  14.087  14.087
  201   2HG   ARG  28           HG2      ARG  28 -18.851  13.196  13.196
  202   1HD   ARG  28           HD2      ARG  28 -21.344  14.382  14.382
  203   2HD   ARG  28           HD1      ARG  28 -20.113  15.620  15.620
  204    HE   ARG  28           HE       ARG  28 -20.993  14.586  14.586
  205   1HH1  ARG  28          HH11      ARG  28 -18.150  15.710  15.710
  206   2HH1  ARG  28          HH12      ARG  28 -17.345  16.220  16.220
  207   1HH2  ARG  28          HH21      ARG  28 -19.944  15.253  15.253
  208   2HH2  ARG  28          HH22      ARG  28 -18.367  15.961  15.961
  209    H    LEU  29           HN       LEU  29 -18.439   9.833   9.833
  210    HA   LEU  29           HA       LEU  29 -20.471   8.027   8.027
  211   1HB   LEU  29           HB2      LEU  29 -17.524   7.717   7.717
  212   2HB   LEU  29           HB1      LEU  29 -18.496   6.314   6.314
  213    HG   LEU  29           HG       LEU  29 -18.908   8.106   8.106
  214   1HD1  LEU  29          HD11      LEU  29 -16.932   6.290   6.290
  215   2HD1  LEU  29          HD13      LEU  29 -18.221   5.267   5.267
  216   3HD1  LEU  29          HD12      LEU  29 -17.691   6.682   6.682
  217   1HD2  LEU  29          HD22      LEU  29 -20.772   6.541   6.541
  218   2HD2  LEU  29          HD21      LEU  29 -20.854   7.093   7.093
  219   3HD2  LEU  29          HD23      LEU  29 -20.190   5.502   5.502
  220    H    LEU  30           HN       LEU  30 -17.443   8.250   8.250
  221    HA   LEU  30           HA       LEU  30 -18.468   6.626   6.626
  222   1HB   LEU  30           HB1      LEU  30 -16.093   8.442   8.442
  223   2HB   LEU  30           HB2      LEU  30 -16.386   6.911   6.911
  224    HG   LEU  30           HG       LEU  30 -15.639   7.353   7.353
  225   1HD1  LEU  30          HD12      LEU  30 -14.066   7.108   7.108
  226   2HD1  LEU  30          HD11      LEU  30 -14.148   5.449   5.449
  227   3HD1  LEU  30          HD13      LEU  30 -13.570   6.735   6.735
  228   1HD2  LEU  30          HD22      LEU  30 -17.026   5.113   5.113
  229   2HD2  LEU  30          HD21      LEU  30 -16.909   5.552   5.552
  230   3HD2  LEU  30          HD23      LEU  30 -15.598   4.660   4.660
  231    H    HIS  31           HN       HIS  31 -17.745  10.105  10.105
  232    HA   HIS  31           HA       HIS  31 -18.650  10.713  10.713
  233   1HB   HIS  31           HB2      HIS  31 -18.410  12.615  12.615
  234   2HB   HIS  31           HB1      HIS  31 -18.393  13.024  13.024
  235    HD2  HIS  31           HD2      HIS  31 -15.898  13.323  13.323
  236    HE1  HIS  31           HE1      HIS  31 -13.909  11.019  11.019
  237    HE2  HIS  31           HE2      HIS  31 -13.635  12.330  12.330
  238    H    ARG  32           HN       ARG  32 -20.321  10.181  10.181
  239    HA   ARG  32           HA       ARG  32 -22.781  11.211  11.211
  240   1HB   ARG  32           HB1      ARG  32 -21.608  12.094  12.094
  241   2HB   ARG  32           HB2      ARG  32 -23.011  11.140  11.140
  242   1HG   ARG  32           HG1      ARG  32 -24.230  12.955  12.955
  243   2HG   ARG  32           HG2      ARG  32 -23.925  12.726  12.726
  244   1HD   ARG  32           HD1      ARG  32 -21.914  14.115  14.115
  245   2HD   ARG  32           HD2      ARG  32 -22.235  14.354  14.354
  246    HE   ARG  32           HE       ARG  32 -24.491  15.154  15.154
  247   1HH1  ARG  32          HH21      ARG  32 -21.194  16.119  16.119
  248   2HH1  ARG  32          HH22      ARG  32 -21.502  17.800  17.800
  249   1HH2  ARG  32          HH11      ARG  32 -24.910  17.367  17.367
  250   2HH2  ARG  32          HH12      ARG  32 -23.615  18.511  18.511
  251    H    GLU  33           HN       GLU  33 -22.247   9.425   9.425
  252    HA   GLU  33           HA       GLU  33 -24.371   7.770   7.770
  253   1HB   GLU  33           HB1      GLU  33 -22.379   7.923   7.923
  254   2HB   GLU  33           HB2      GLU  33 -21.697   6.610   6.610
  255   1HG   GLU  33           HG1      GLU  33 -24.248   5.736   5.736
  256   2HG   GLU  33           HG2      GLU  33 -23.845   6.585   6.585
  257    H    LEU  34           HN       LEU  34 -21.593   7.545   7.545
  258    HA   LEU  34           HA       LEU  34 -21.131   6.250   6.250
  259   1HB   LEU  34           HB2      LEU  34 -24.094   5.988   5.988
  260   2HB   LEU  34           HB1      LEU  34 -23.250   4.924   4.924
  261    HG   LEU  34           HG       LEU  34 -22.804   7.882   7.882
  262   1HD1  LEU  34          HD11      LEU  34 -25.308   6.505   6.505
  263   2HD1  LEU  34          HD13      LEU  34 -24.700   7.322   7.322
  264   3HD1  LEU  34          HD12      LEU  34 -24.957   8.233   8.233
  265   1HD2  LEU  34          HD23      LEU  34 -21.659   5.827   5.827
  266   2HD2  LEU  34          HD22      LEU  34 -21.853   7.440   7.440
  267   3HD2  LEU  34          HD21      LEU  34 -23.012   6.171   6.171
  268    H    VAL  35           HN       VAL  35 -20.831   5.215   5.215
  269    HA   VAL  35           HA       VAL  35 -21.648   2.602   2.602
  270    HB   VAL  35           HB       VAL  35 -19.302   2.453   2.453
  271   1HG1  VAL  35          HG21      VAL  35 -21.888   3.433   3.433
  272   2HG1  VAL  35          HG23      VAL  35 -20.659   4.346   4.346
  273   3HG1  VAL  35          HG22      VAL  35 -20.711   2.588   2.588
  274   1HG2  VAL  35          HG12      VAL  35 -18.623   4.602   4.602
  275   2HG2  VAL  35          HG11      VAL  35 -18.228   4.456   4.456
  276   3HG2  VAL  35          HG13      VAL  35 -19.612   5.426   5.426
  277    H    HIS  36           HN       HIS  36 -20.617   0.584   0.584
  278    HA   HIS  36           HA       HIS  36 -19.209   0.440   0.440
  279   1HB   HIS  36           HB1      HIS  36 -20.992  -1.247  -1.247
  280   2HB   HIS  36           HB2      HIS  36 -19.477  -2.125  -2.125
  281    HD2  HIS  36           HD2      HIS  36 -22.633  -1.775  -1.775
  282    HE1  HIS  36           HE1      HIS  36 -19.692  -2.335  -2.335
  283    HE2  HIS  36           HE2      HIS  36 -22.163  -2.490  -2.490
  284    HA   PRO  37           HA       PRO  37 -15.257   0.236   0.236
  285   1HB   PRO  37           HB2      PRO  37 -13.767  -0.228  -0.228
  286   2HB   PRO  37           HB1      PRO  37 -14.427   1.364   1.364
  287   1HG   PRO  37           HG2      PRO  37 -15.464  -0.702  -0.702
  288   2HG   PRO  37           HG1      PRO  37 -15.336   1.054   1.054
  289   1HD   PRO  37           HD2      PRO  37 -17.662  -0.176  -0.176
  290   2HD   PRO  37           HD1      PRO  37 -17.261   1.466   1.466
  291    H    ASP  38           HN       ASP  38 -16.866  -2.267  -2.267
  292    HA   ASP  38           HA       ASP  38 -14.784  -4.243  -4.243
  293   1HB   ASP  38           HB2      ASP  38 -16.534  -5.808  -5.808
  294   2HB   ASP  38           HB1      ASP  38 -15.849  -4.575  -4.575
  295    H    ALA  39           HN       ALA  39 -17.309  -2.863  -2.863
  296    HA   ALA  39           HA       ALA  39 -18.664  -4.811  -4.811
  297   1HB   ALA  39           HB2      ALA  39 -18.294  -2.121  -2.121
  298   2HB   ALA  39           HB1      ALA  39 -17.638  -2.808  -2.808
  299   3HB   ALA  39           HB3      ALA  39 -19.296  -3.167  -3.167
  300    H    LEU  40           HN       LEU  40 -18.294  -6.322  -6.322
  301    HA   LEU  40           HA       LEU  40 -15.597  -6.470  -6.470
  302   1HB   LEU  40           HB1      LEU  40 -17.202  -8.762  -8.762
  303   2HB   LEU  40           HB2      LEU  40 -15.710  -8.938  -8.938
  304    HG   LEU  40           HG       LEU  40 -15.651  -7.204  -7.204
  305   1HD1  LEU  40          HD11      LEU  40 -16.959  -9.321  -9.321
  306   2HD1  LEU  40          HD13      LEU  40 -15.448 -10.186 -10.186
  307   3HD1  LEU  40          HD12      LEU  40 -15.544  -8.966  -8.966
  308   1HD2  LEU  40          HD21      LEU  40 -13.810  -8.626  -8.626
  309   2HD2  LEU  40          HD23      LEU  40 -13.515  -7.288  -7.288
  310   3HD2  LEU  40          HD22      LEU  40 -13.508  -8.948  -8.948
  311    H    ASN  41           HN       ASN  41 -15.883  -6.098  -6.098
  312    HA   ASN  41           HA       ASN  41 -18.101  -6.183  -6.183
  313   1HB   ASN  41           HB1      ASN  41 -16.710  -6.358  -6.358
  314   2HB   ASN  41           HB2      ASN  41 -15.786  -5.481  -5.481
  315   1HD2  ASN  41          HD22      ASN  41 -13.309  -7.918  -7.918
  316   2HD2  ASN  41          HD21      ASN  41 -14.060  -6.518  -6.518
  317    H    ARG  42           HN       ARG  42 -16.006  -8.958  -8.958
  318    HA   ARG  42           HA       ARG  42 -18.225 -10.722 -10.722
  319   1HB   ARG  42           HB1      ARG  42 -16.454 -10.533 -10.533
  320   2HB   ARG  42           HB2      ARG  42 -15.362 -11.346 -11.346
  321   1HG   ARG  42           HG1      ARG  42 -16.410 -12.857 -12.857
  322   2HG   ARG  42           HG2      ARG  42 -16.744 -13.303 -13.303
  323   1HD   ARG  42           HD2      ARG  42 -18.942 -12.330 -12.330
  324   2HD   ARG  42           HD1      ARG  42 -18.612 -11.705 -11.705
  325    HE   ARG  42           HE       ARG  42 -18.254 -14.460 -14.460
  326   1HH1  ARG  42          HH21      ARG  42 -20.826 -12.184 -12.184
  327   2HH1  ARG  42          HH22      ARG  42 -22.065 -13.234 -13.234
  328   1HH2  ARG  42          HH11      ARG  42 -19.876 -15.855 -15.855
  329   2HH2  ARG  42          HH12      ARG  42 -21.524 -15.322 -15.322
  330    H    PHE  43           HN       PHE  43 -17.373  -9.845  -9.845
  331    HA   PHE  43           HA       PHE  43 -16.781 -10.619 -10.619
  332   1HB   PHE  43           HB2      PHE  43 -18.362 -12.667 -12.667
  333   2HB   PHE  43           HB1      PHE  43 -17.299 -13.350 -13.350
  334    HD1  PHE  43           HD2      PHE  43 -17.381 -12.343 -12.343
  335    HD2  PHE  43           HD1      PHE  43 -20.361 -11.637 -11.637
  336    HE1  PHE  43           HE2      PHE  43 -18.967 -11.663 -11.663
  337    HE2  PHE  43           HE1      PHE  43 -21.953 -10.955 -10.955
  338    HZ   PHE  43           HZ       PHE  43 -21.257 -10.968 -10.968
  339    H    GLY  44           HN       GLY  44 -14.564 -10.342 -10.342
  340   1HA   GLY  44           HA1      GLY  44 -12.900 -12.542 -12.542
  341   2HA   GLY  44           HA2      GLY  44 -12.808 -12.144 -12.144
  342    H    LYS  45           HN       LYS  45 -12.923  -9.386  -9.386
  343    HA   LYS  45           HA       LYS  45 -10.512  -8.690  -8.690
  344   1HB   LYS  45           HB1      LYS  45 -10.922  -7.097  -7.097
  345   2HB   LYS  45           HB2      LYS  45  -9.473  -7.910  -7.910
  346   1HG   LYS  45           HG2      LYS  45 -10.322 -10.028 -10.028
  347   2HG   LYS  45           HG1      LYS  45 -11.731  -9.170  -9.170
  348   1HD   LYS  45           HD1      LYS  45  -8.947  -8.308  -8.308
  349   2HD   LYS  45           HD2      LYS  45  -9.758  -9.601  -9.601
  350   1HE   LYS  45           HE2      LYS  45 -11.358  -7.169  -7.169
  351   2HE   LYS  45           HE1      LYS  45  -9.930  -6.963  -6.963
  352   1HZ   LYS  45           HZ2      LYS  45 -12.021  -9.029  -9.029
  353   2HZ   LYS  45           HZ1      LYS  45 -11.912  -7.574  -7.574
  354   3HZ   LYS  45           HZ3      LYS  45 -10.689  -8.735  -8.735
  355    H    THR  46           HN       THR  46 -10.386  -6.607  -6.607
  356    HA   THR  46           HA       THR  46 -12.960  -5.368  -5.368
  357    HB   THR  46           HB       THR  46 -11.570  -3.875  -3.875
  358    HG1  THR  46           HG1      THR  46  -9.544  -5.793  -5.793
  359   1HG2  THR  46          HG23      THR  46 -12.466  -6.473  -6.473
  360   2HG2  THR  46          HG22      THR  46 -10.821  -6.441  -6.441
  361   3HG2  THR  46          HG21      THR  46 -12.017  -5.284  -5.284
  362    H    ALA  47           HN       ALA  47 -13.079  -2.933  -2.933
  363    HA   ALA  47           HA       ALA  47 -12.785  -1.961  -1.961
  364   1HB   ALA  47           HB2      ALA  47 -14.261  -1.080  -1.080
  365   2HB   ALA  47           HB1      ALA  47 -12.846  -0.170  -0.170
  366   3HB   ALA  47           HB3      ALA  47 -13.528   0.113   0.113
  367    H    LEU  48           HN       LEU  48 -10.481  -2.125  -2.125
  368    HA   LEU  48           HA       LEU  48  -8.740  -0.072  -0.072
  369   1HB   LEU  48           HB1      LEU  48  -8.891  -1.765  -1.765
  370   2HB   LEU  48           HB2      LEU  48  -7.339  -2.075  -2.075
  371    HG   LEU  48           HG       LEU  48  -8.370   0.466   0.466
  372   1HD1  LEU  48          HD11      LEU  48  -6.931  -1.358  -1.358
  373   2HD1  LEU  48          HD13      LEU  48  -5.612  -0.662  -0.662
  374   3HD1  LEU  48          HD12      LEU  48  -6.506   0.342   0.342
  375   1HD2  LEU  48          HD21      LEU  48  -6.446   0.172   0.172
  376   2HD2  LEU  48          HD23      LEU  48  -7.631   1.440   1.440
  377   3HD2  LEU  48          HD22      LEU  48  -6.129   1.385   1.385
  378    H    GLN  49           HN       GLN  49  -8.827  -3.600  -3.600
  379    HA   GLN  49           HA       GLN  49  -6.417  -3.872  -3.872
  380   1HB   GLN  49           HB1      GLN  49  -8.226  -5.610  -5.610
  381   2HB   GLN  49           HB2      GLN  49  -8.588  -5.754  -5.754
  382   1HG   GLN  49           HG2      GLN  49  -5.994  -6.309  -6.309
  383   2HG   GLN  49           HG1      GLN  49  -7.012  -7.430  -7.430
  384   1HE2  GLN  49          HE22      GLN  49  -4.017  -5.678  -5.678
  385   2HE2  GLN  49          HE21      GLN  49  -4.197  -5.878  -5.878
  386    H    VAL  50           HN       VAL  50  -9.490  -2.676  -2.676
  387    HA   VAL  50           HA       VAL  50  -8.820  -2.920  -2.920
  388    HB   VAL  50           HB       VAL  50 -11.184  -2.222  -2.222
  389   1HG1  VAL  50          HG13      VAL  50 -10.220  -4.721  -4.721
  390   2HG1  VAL  50          HG12      VAL  50 -11.923  -4.485  -4.485
  391   3HG1  VAL  50          HG11      VAL  50 -11.390  -4.424  -4.424
  392   1HG2  VAL  50          HG23      VAL  50 -11.375  -1.108  -1.108
  393   2HG2  VAL  50          HG22      VAL  50 -12.757  -2.066  -2.066
  394   3HG2  VAL  50          HG21      VAL  50 -11.630  -2.726  -2.726
  395    H    MET  51           HN       MET  51  -9.544  -0.619  -0.619
  396    HA   MET  51           HA       MET  51  -9.968   1.727   1.727
  397   1HB   MET  51           HB2      MET  51  -9.883   1.708   1.708
  398   2HB   MET  51           HB1      MET  51  -8.208   1.175   1.175
  399   1HG   MET  51           HG2      MET  51  -8.101   3.533   3.533
  400   2HG   MET  51           HG1      MET  51  -9.316   3.854   3.854
  401   1HE   MET  51           HE1      MET  51  -6.052   2.531   2.531
  402   2HE   MET  51           HE3      MET  51  -4.946   3.440   3.440
  403   3HE   MET  51           HE2      MET  51  -5.492   1.837   1.837
  404    H    MET  52           HN       MET  52  -8.886   3.129   3.129
  405    HA   MET  52           HA       MET  52  -6.320   2.270   2.270
  406   1HB   MET  52           HB1      MET  52  -6.639   4.098   4.098
  407   2HB   MET  52           HB2      MET  52  -8.011   3.001   3.001
  408   1HG   MET  52           HG1      MET  52  -9.182   4.914   4.914
  409   2HG   MET  52           HG2      MET  52  -8.839   4.828   4.828
  410   1HE   MET  52           HE1      MET  52  -9.043   6.538   6.538
  411   2HE   MET  52           HE3      MET  52  -8.906   8.130   8.130
  412   3HE   MET  52           HE2      MET  52  -7.615   7.530   7.530
  413    H    PHE  53           HN       PHE  53  -4.389   3.217   3.217
  414    HA   PHE  53           HA       PHE  53  -4.200   5.102   5.102
  415   1HB   PHE  53           HB2      PHE  53  -2.090   3.857   3.857
  416   2HB   PHE  53           HB1      PHE  53  -1.733   4.925   4.925
  417    HD1  PHE  53           HD2      PHE  53  -3.695   1.817   1.817
  418    HD2  PHE  53           HD1      PHE  53  -1.202   3.959   3.959
  419    HE1  PHE  53           HE2      PHE  53  -3.708  -0.113  -0.113
  420    HE2  PHE  53           HE1      PHE  53  -1.217   2.032   2.032
  421    HZ   PHE  53           HZ       PHE  53  -2.480  -0.014  -0.014
  422    H    GLY  54           HN       GLY  54  -5.638   6.413   6.413
  423   1HA   GLY  54           HA2      GLY  54  -3.782   8.162   8.162
  424   2HA   GLY  54           HA1      GLY  54  -5.493   7.976   7.976
  425    H    SER  55           HN       SER  55  -6.857   8.465   8.465
  426    HA   SER  55           HA       SER  55  -6.228  11.225  11.225
  427   1HB   SER  55           HB1      SER  55  -8.590  10.069  10.069
  428   2HB   SER  55           HB2      SER  55  -8.454  11.496  11.496
  429    HG   SER  55           HG       SER  55  -8.714   8.791   8.791
  430    HA   PRO  56           HA       PRO  56  -4.066   9.923   9.923
  431   1HB   PRO  56           HB2      PRO  56  -4.072  12.512  12.512
  432   2HB   PRO  56           HB1      PRO  56  -2.804  11.803  11.803
  433   1HG   PRO  56           HG2      PRO  56  -5.028  13.627  13.627
  434   2HG   PRO  56           HG1      PRO  56  -3.374  13.540  13.540
  435   1HD   PRO  56           HD1      PRO  56  -5.466  12.578  12.578
  436   2HD   PRO  56           HD2      PRO  56  -3.878  11.785  11.785
  437    H    ALA  57           HN       ALA  57  -6.825  12.166  12.166
  438    HA   ALA  57           HA       ALA  57  -7.493  11.731  11.731
  439   1HB   ALA  57           HB1      ALA  57  -9.189  12.637  12.637
  440   2HB   ALA  57           HB3      ALA  57  -9.720  12.651  12.651
  441   3HB   ALA  57           HB2      ALA  57  -8.358  13.652  13.652
  442    H    VAL  58           HN       VAL  58  -8.300  10.005  10.005
  443    HA   VAL  58           HA       VAL  58 -10.410   8.451   8.451
  444    HB   VAL  58           HB       VAL  58  -8.553   8.281   8.281
  445   1HG1  VAL  58          HG12      VAL  58 -10.250   5.965   5.965
  446   2HG1  VAL  58          HG11      VAL  58  -9.530   6.119   6.119
  447   3HG1  VAL  58          HG13      VAL  58  -8.497   5.996   5.996
  448   1HG2  VAL  58          HG23      VAL  58 -10.848   9.474   9.474
  449   2HG2  VAL  58          HG22      VAL  58 -10.462   8.567   8.567
  450   3HG2  VAL  58          HG21      VAL  58 -11.509   7.856   7.856
  451    H    ALA  59           HN       ALA  59  -6.912   7.994   7.994
  452    HA   ALA  59           HA       ALA  59  -6.865   5.355   5.355
  453   1HB   ALA  59           HB1      ALA  59  -4.943   6.538   6.538
  454   2HB   ALA  59           HB3      ALA  59  -4.779   7.480   7.480
  455   3HB   ALA  59           HB2      ALA  59  -4.546   5.732   5.732
  456    H    LEU  60           HN       LEU  60  -6.243   8.372   8.372
  457    HA   LEU  60           HA       LEU  60  -6.237   7.186   7.186
  458   1HB   LEU  60           HB2      LEU  60  -5.205   9.278   9.278
  459   2HB   LEU  60           HB1      LEU  60  -6.586   9.995   9.995
  460    HG   LEU  60           HG       LEU  60  -7.853   9.809   9.809
  461   1HD1  LEU  60          HD22      LEU  60  -5.242   8.676   8.676
  462   2HD1  LEU  60          HD21      LEU  60  -6.170   9.649   9.649
  463   3HD1  LEU  60          HD23      LEU  60  -6.883   8.198   8.198
  464   1HD2  LEU  60          HD13      LEU  60  -6.548  11.845  11.845
  465   2HD2  LEU  60          HD12      LEU  60  -6.972  11.780  11.780
  466   3HD2  LEU  60          HD11      LEU  60  -5.331  11.389  11.389
  467    H    GLU  61           HN       GLU  61  -8.828   8.738   8.738
  468    HA   GLU  61           HA       GLU  61 -10.765   8.747   8.747
  469   1HB   GLU  61           HB2      GLU  61 -10.926   8.804   8.804
  470   2HB   GLU  61           HB1      GLU  61 -12.384   8.738   8.738
  471   1HG   GLU  61           HG2      GLU  61 -11.206  10.775  10.775
  472   2HG   GLU  61           HG1      GLU  61 -10.435  10.938  10.938
  473    H    LEU  62           HN       LEU  62 -10.091   6.345   6.345
  474    HA   LEU  62           HA       LEU  62 -12.208   4.611   4.611
  475   1HB   LEU  62           HB2      LEU  62  -9.822   4.553   4.553
  476   2HB   LEU  62           HB1      LEU  62 -10.183   2.987   2.987
  477    HG   LEU  62           HG       LEU  62 -12.185   4.626   4.626
  478   1HD1  LEU  62          HD13      LEU  62 -10.029   2.834   2.834
  479   2HD1  LEU  62          HD12      LEU  62 -11.616   2.525   2.525
  480   3HD1  LEU  62          HD11      LEU  62 -10.875   4.117   4.117
  481   1HD2  LEU  62          HD23      LEU  62 -12.170   1.885   1.885
  482   2HD2  LEU  62          HD22      LEU  62 -13.405   3.140   3.140
  483   3HD2  LEU  62          HD21      LEU  62 -13.170   2.244   2.244
  484    H    LEU  63           HN       LEU  63  -8.749   4.327   4.327
  485    HA   LEU  63           HA       LEU  63  -9.096   2.131   2.131
  486   1HB   LEU  63           HB1      LEU  63  -6.849   2.647   2.647
  487   2HB   LEU  63           HB2      LEU  63  -6.930   2.675   2.675
  488    HG   LEU  63           HG       LEU  63  -7.211   5.234   5.234
  489   1HD1  LEU  63          HD13      LEU  63  -6.895   4.404   4.404
  490   2HD1  LEU  63          HD12      LEU  63  -5.592   5.495   5.495
  491   3HD1  LEU  63          HD11      LEU  63  -7.272   5.999   5.999
  492   1HD2  LEU  63          HD22      LEU  63  -4.918   3.502   3.502
  493   2HD2  LEU  63          HD21      LEU  63  -5.195   5.049   5.049
  494   3HD2  LEU  63          HD23      LEU  63  -4.520   5.009   5.009
  495    H    LYS  64           HN       LYS  64  -9.559   5.536   5.536
  496    HA   LYS  64           HA       LYS  64  -9.312   5.648   5.648
  497   1HB   LYS  64           HB2      LYS  64 -10.347   7.357   7.357
  498   2HB   LYS  64           HB1      LYS  64 -11.251   7.515   7.515
  499   1HG   LYS  64           HG2      LYS  64  -8.410   7.525   7.525
  500   2HG   LYS  64           HG1      LYS  64  -8.869   8.777   8.777
  501   1HD   LYS  64           HD2      LYS  64  -9.373   9.998   9.998
  502   2HD   LYS  64           HD1      LYS  64 -10.830   9.004   9.004
  503   1HE   LYS  64           HE2      LYS  64  -9.277   7.377   7.377
  504   2HE   LYS  64           HE1      LYS  64  -8.329   8.839   8.839
  505   1HZ   LYS  64           HZ2      LYS  64 -10.902   9.592   9.592
  506   2HZ   LYS  64           HZ1      LYS  64 -10.803   8.039   8.039
  507   3HZ   LYS  64           HZ3      LYS  64  -9.714   9.239   9.239
  508    H    GLN  65           HN       GLN  65 -12.141   5.098   5.098
  509    HA   GLN  65           HA       GLN  65 -14.125   4.999   4.999
  510   1HB   GLN  65           HB1      GLN  65 -13.744   4.022   4.022
  511   2HB   GLN  65           HB2      GLN  65 -14.795   2.973   2.973
  512   1HG   GLN  65           HG2      GLN  65 -15.155   5.886   5.886
  513   2HG   GLN  65           HG1      GLN  65 -16.187   4.536   4.536
  514   1HE2  GLN  65          HE22      GLN  65 -17.963   4.415   4.415
  515   2HE2  GLN  65          HE21      GLN  65 -17.553   3.605   3.605
  516    H    GLY  66           HN       GLY  66 -11.939   2.397   2.397
  517   1HA   GLY  66           HA2      GLY  66 -11.404   1.108   1.108
  518   2HA   GLY  66           HA1      GLY  66 -13.080   0.625   0.625
  519    H    ALA  67           HN       ALA  67 -10.670   1.100   1.100
  520    HA   ALA  67           HA       ALA  67 -11.193  -1.599  -1.599
  521   1HB   ALA  67           HB2      ALA  67 -10.573   0.858   0.858
  522   2HB   ALA  67           HB1      ALA  67  -9.234  -0.239  -0.239
  523   3HB   ALA  67           HB3      ALA  67 -10.882  -0.700  -0.700
  524    H    SER  68           HN       SER  68  -9.402  -3.005  -3.005
  525    HA   SER  68           HA       SER  68  -7.065  -2.684  -2.684
  526   1HB   SER  68           HB2      SER  68  -8.929  -4.909  -4.909
  527   2HB   SER  68           HB1      SER  68  -7.246  -5.399  -5.399
  528    HG   SER  68           HG       SER  68  -8.338  -3.960  -3.960
  529    HA   PRO  69           HA       PRO  69  -5.060  -2.813  -2.813
  530   1HB   PRO  69           HB2      PRO  69  -2.707  -1.805  -1.805
  531   2HB   PRO  69           HB1      PRO  69  -4.139  -0.786  -0.786
  532   1HG   PRO  69           HG1      PRO  69  -2.961  -1.958  -1.958
  533   2HG   PRO  69           HG2      PRO  69  -3.599  -0.327  -0.327
  534   1HD   PRO  69           HD1      PRO  69  -5.013  -2.322  -2.322
  535   2HD   PRO  69           HD2      PRO  69  -5.769  -0.988  -0.988
  536    H    ASN  70           HN       ASN  70  -4.821  -4.831  -4.831
  537    HA   ASN  70           HA       ASN  70  -2.289  -6.078  -6.078
  538   1HB   ASN  70           HB2      ASN  70  -4.328  -6.507  -6.507
  539   2HB   ASN  70           HB1      ASN  70  -3.131  -7.751  -7.751
  540   1HD2  ASN  70          HD22      ASN  70  -2.160  -4.447  -4.447
  541   2HD2  ASN  70          HD21      ASN  70  -3.752  -4.741  -4.741
  542    H    VAL  71           HN       VAL  71  -4.587  -6.018  -6.018
  543    HA   VAL  71           HA       VAL  71  -5.109  -8.905  -8.905
  544    HB   VAL  71           HB       VAL  71  -7.003  -8.395  -8.395
  545   1HG1  VAL  71          HG21      VAL  71  -6.887  -7.806  -7.806
  546   2HG1  VAL  71          HG23      VAL  71  -7.416  -6.254  -6.254
  547   3HG1  VAL  71          HG22      VAL  71  -8.362  -7.708  -7.708
  548   1HG2  VAL  71          HG12      VAL  71  -5.592  -5.968  -5.968
  549   2HG2  VAL  71          HG11      VAL  71  -7.003  -6.629  -6.629
  550   3HG2  VAL  71          HG13      VAL  71  -7.212  -5.582  -5.582
  551    H    GLN  72           HN       GLN  72  -4.510 -10.020 -10.020
  552    HA   GLN  72           HA       GLN  72  -3.026  -8.514  -8.514
  553   1HB   GLN  72           HB1      GLN  72  -2.442 -11.361 -11.361
  554   2HB   GLN  72           HB2      GLN  72  -1.458 -10.295 -10.295
  555   1HG   GLN  72           HG1      GLN  72  -0.483  -9.339  -9.339
  556   2HG   GLN  72           HG2      GLN  72  -1.986  -9.273  -9.273
  557   1HE2  GLN  72          HE22      GLN  72   0.410 -11.569 -11.569
  558   2HE2  GLN  72          HE21      GLN  72   0.450  -9.919  -9.919
  559    H    ASP  73           HN       ASP  73  -3.090  -9.333  -9.333
  560    HA   ASP  73           HA       ASP  73  -4.916 -11.477 -11.477
  561   1HB   ASP  73           HB2      ASP  73  -5.928  -9.547  -9.547
  562   2HB   ASP  73           HB1      ASP  73  -5.708  -8.658  -8.658
  563    H    ALA  74           HN       ALA  74  -5.252 -11.236 -11.236
  564    HA   ALA  74           HA       ALA  74  -4.267 -11.393 -11.393
  565   1HB   ALA  74           HB2      ALA  74  -3.496  -9.033  -9.033
  566   2HB   ALA  74           HB1      ALA  74  -1.933  -9.791  -9.791
  567   3HB   ALA  74           HB3      ALA  74  -2.641  -9.850  -9.850
  568    H    SER  75           HN       SER  75  -1.560 -11.354 -11.354
  569    HA   SER  75           HA       SER  75  -1.045 -14.131 -14.131
  570   1HB   SER  75           HB2      SER  75  -0.064 -12.641 -12.641
  571   2HB   SER  75           HB1      SER  75   1.335 -12.878 -12.878
  572    HG   SER  75           HG       SER  75   0.486 -15.183 -15.183
  573    H    GLY  76           HN       GLY  76  -1.314 -12.117 -12.117
  574   1HA   GLY  76           HA1      GLY  76  -0.352 -12.084 -12.084
  575   2HA   GLY  76           HA2      GLY  76   1.138 -12.718 -12.718
  576    H    THR  77           HN       THR  77  -0.899  -9.799  -9.799
  577    HA   THR  77           HA       THR  77   1.364  -8.131  -8.131
  578    HB   THR  77           HB       THR  77   0.834  -6.717  -6.717
  579    HG1  THR  77           HG1      THR  77  -0.094  -9.296  -9.296
  580   1HG2  THR  77          HG22      THR  77   2.912  -8.256  -8.256
  581   2HG2  THR  77          HG21      THR  77   2.280  -9.174  -9.174
  582   3HG2  THR  77          HG23      THR  77   2.722  -7.479  -7.479
  583    H    SER  78           HN       SER  78   0.361  -7.104  -7.104
  584    HA   SER  78           HA       SER  78  -2.389  -6.382  -6.382
  585   1HB   SER  78           HB1      SER  78  -2.091  -5.775  -5.775
  586   2HB   SER  78           HB2      SER  78  -0.614  -6.718  -6.718
  587    HG   SER  78           HG       SER  78   0.426  -4.700  -4.700
  588    HA   PRO  79           HA       PRO  79  -2.769  -2.201  -2.201
  589   1HB   PRO  79           HB1      PRO  79  -2.298  -1.050  -1.050
  590   2HB   PRO  79           HB2      PRO  79  -3.613  -0.743  -0.743
  591   1HG   PRO  79           HG2      PRO  79  -3.995  -2.281  -2.281
  592   2HG   PRO  79           HG1      PRO  79  -4.751  -2.674  -2.674
  593   1HD   PRO  79           HD2      PRO  79  -2.420  -3.937  -3.937
  594   2HD   PRO  79           HD1      PRO  79  -3.662  -4.671  -4.671
  595    H    VAL  80           HN       VAL  80  -0.309  -2.137  -2.137
  596    HA   VAL  80           HA       VAL  80   1.250  -0.088  -0.088
  597    HB   VAL  80           HB       VAL  80   3.085  -1.080  -1.080
  598   1HG1  VAL  80          HG22      VAL  80   1.141   0.470   0.470
  599   2HG1  VAL  80          HG21      VAL  80   0.602  -0.960  -0.960
  600   3HG1  VAL  80          HG23      VAL  80   2.195  -0.274  -0.274
  601   1HG2  VAL  80          HG13      VAL  80   2.441  -3.427  -3.427
  602   2HG2  VAL  80          HG12      VAL  80   2.558  -2.951  -2.951
  603   3HG2  VAL  80          HG11      VAL  80   0.977  -3.112  -3.112
  604    H    HIS  81           HN       HIS  81   1.476  -3.602  -3.602
  605    HA   HIS  81           HA       HIS  81   3.842  -3.635  -3.635
  606   1HB   HIS  81           HB1      HIS  81   1.501  -5.525  -5.525
  607   2HB   HIS  81           HB2      HIS  81   2.881  -5.847  -5.847
  608    HD2  HIS  81           HD2      HIS  81   5.006  -4.665  -4.665
  609    HE1  HIS  81           HE1      HIS  81   3.636  -8.214  -8.214
  610    HE2  HIS  81           HE2      HIS  81   5.332  -6.332  -6.332
  611    H    ASP  82           HN       ASP  82   0.499  -3.101  -3.101
  612    HA   ASP  82           HA       ASP  82   0.940  -3.292  -3.292
  613   1HB   ASP  82           HB1      ASP  82  -1.310  -1.859  -1.859
  614   2HB   ASP  82           HB2      ASP  82  -1.281  -3.597  -3.597
  615    H    ALA  83           HN       ALA  83   0.483  -0.530  -0.530
  616    HA   ALA  83           HA       ALA  83   0.945   1.430   1.430
  617   1HB   ALA  83           HB1      ALA  83   0.200   1.394   1.394
  618   2HB   ALA  83           HB3      ALA  83   1.530   2.531   2.531
  619   3HB   ALA  83           HB2      ALA  83   0.057   2.707   2.707
  620    H    ALA  84           HN       ALA  84   3.031  -0.646  -0.646
  621    HA   ALA  84           HA       ALA  84   5.312   1.059   1.059
  622   1HB   ALA  84           HB2      ALA  84   4.790  -1.849  -1.849
  623   2HB   ALA  84           HB1      ALA  84   6.456  -1.322  -1.322
  624   3HB   ALA  84           HB3      ALA  84   5.524  -0.700  -0.700
  625    H    ARG  85           HN       ARG  85   4.238  -1.365  -1.365
  626    HA   ARG  85           HA       ARG  85   6.514  -1.302  -1.302
  627   1HB   ARG  85           HB2      ARG  85   3.666  -2.119  -2.119
  628   2HB   ARG  85           HB1      ARG  85   4.710  -1.990  -1.990
  629   1HG   ARG  85           HG1      ARG  85   4.939  -3.840  -3.840
  630   2HG   ARG  85           HG2      ARG  85   4.846  -4.229  -4.229
  631   1HD   ARG  85           HD1      ARG  85   7.094  -2.726  -2.726
  632   2HD   ARG  85           HD2      ARG  85   7.163  -3.473  -3.473
  633    HE   ARG  85           HE       ARG  85   6.629  -5.335  -5.335
  634   1HH1  ARG  85          HH21      ARG  85   9.107  -3.663  -3.663
  635   2HH1  ARG  85          HH22      ARG  85  10.331  -4.843  -4.843
  636   1HH2  ARG  85          HH11      ARG  85   8.232  -6.895  -6.895
  637   2HH2  ARG  85          HH12      ARG  85   9.832  -6.679  -6.679
  638    H    THR  86           HN       THR  86   3.376   0.330   0.330
  639    HA   THR  86           HA       THR  86   4.394   1.929   1.929
  640    HB   THR  86           HB       THR  86   2.246   2.654   2.654
  641    HG1  THR  86           HG1      THR  86   1.841   2.580   2.580
  642   1HG2  THR  86          HG23      THR  86   2.273   0.078   0.078
  643   2HG2  THR  86          HG22      THR  86   1.236   0.684   0.684
  644   3HG2  THR  86          HG21      THR  86   0.793   0.950   0.950
  645    H    GLY  87           HN       GLY  87   4.328   2.185   2.185
  646   1HA   GLY  87           HA2      GLY  87   5.821   3.710   3.710
  647   2HA   GLY  87           HA1      GLY  87   5.529   4.862   4.862
  648    H    PHE  88           HN       PHE  88   3.066   5.346   5.346
  649    HA   PHE  88           HA       PHE  88   1.564   6.824   6.824
  650   1HB   PHE  88           HB2      PHE  88   1.073   4.128   4.128
  651   2HB   PHE  88           HB1      PHE  88  -0.046   5.481   5.481
  652    HD1  PHE  88           HD1      PHE  88   0.274   6.576   6.576
  653    HD2  PHE  88           HD2      PHE  88  -0.262   2.608   2.608
  654    HE1  PHE  88           HE1      PHE  88  -0.778   5.936   5.936
  655    HE2  PHE  88           HE2      PHE  88  -1.312   1.959   1.959
  656    HZ   PHE  88           HZ       PHE  88  -1.550   3.635   3.635
  657    H    LEU  89           HN       LEU  89   4.068   7.052   7.052
  658    HA   LEU  89           HA       LEU  89   4.208   6.828   6.828
  659   1HB   LEU  89           HB2      LEU  89   6.088   7.505   7.505
  660   2HB   LEU  89           HB1      LEU  89   5.305   9.033   9.033
  661    HG   LEU  89           HG       LEU  89   7.191   8.904   8.904
  662   1HD1  LEU  89          HD12      LEU  89   5.430  10.764  10.764
  663   2HD1  LEU  89          HD11      LEU  89   4.791  10.364  10.364
  664   3HD1  LEU  89          HD13      LEU  89   6.459  10.912  10.912
  665   1HD2  LEU  89          HD22      LEU  89   5.812   7.034   7.034
  666   2HD2  LEU  89          HD21      LEU  89   6.620   8.259   8.259
  667   3HD2  LEU  89          HD23      LEU  89   4.890   8.381   8.381
  668    H    ASP  90           HN       ASP  90   2.733   9.447   9.447
  669    HA   ASP  90           HA       ASP  90   2.195  11.205  11.205
  670   1HB   ASP  90           HB1      ASP  90   0.616  12.257  12.257
  671   2HB   ASP  90           HB2      ASP  90   0.352  10.772  10.772
  672    H    THR  91           HN       THR  91  -0.141   8.946   8.946
  673    HA   THR  91           HA       THR  91  -1.986   9.208   9.208
  674    HB   THR  91           HB       THR  91  -2.309   6.797   6.797
  675    HG1  THR  91           HG1      THR  91  -2.018   9.285   9.285
  676   1HG2  THR  91          HG22      THR  91  -4.106   8.041   8.041
  677   2HG2  THR  91          HG21      THR  91  -3.991   9.281   9.281
  678   3HG2  THR  91          HG23      THR  91  -4.466   7.638   7.638
  679    H    LEU  92           HN       LEU  92   0.284   6.655   6.655
  680    HA   LEU  92           HA       LEU  92  -0.327   4.750   4.750
  681   1HB   LEU  92           HB1      LEU  92   1.233   4.279   4.279
  682   2HB   LEU  92           HB2      LEU  92   2.348   5.492   5.492
  683    HG   LEU  92           HG       LEU  92   2.436   4.029   4.029
  684   1HD1  LEU  92          HD23      LEU  92   0.513   2.601   2.601
  685   2HD1  LEU  92          HD22      LEU  92   1.955   1.696   1.696
  686   3HD1  LEU  92          HD21      LEU  92   1.577   1.953   1.953
  687   1HD2  LEU  92          HD11      LEU  92   4.289   4.362   4.362
  688   2HD2  LEU  92          HD13      LEU  92   4.252   2.722   2.722
  689   3HD2  LEU  92          HD12      LEU  92   3.670   3.040   3.040
  690    H    LYS  93           HN       LYS  93   1.793   7.561   7.561
  691    HA   LYS  93           HA       LYS  93   2.885   7.155   7.155
  692   1HB   LYS  93           HB2      LYS  93   3.635   8.955   8.955
  693   2HB   LYS  93           HB1      LYS  93   2.062   9.733   9.733
  694   1HG   LYS  93           HG2      LYS  93   2.484  10.661  10.661
  695   2HG   LYS  93           HG1      LYS  93   3.404   9.268   9.268
  696   1HD   LYS  93           HD1      LYS  93   4.744  11.367  11.367
  697   2HD   LYS  93           HD2      LYS  93   5.346   9.960   9.960
  698   1HE   LYS  93           HE2      LYS  93   5.354  11.260  11.260
  699   2HE   LYS  93           HE1      LYS  93   3.597  11.126  11.126
  700   1HZ   LYS  93           HZ2      LYS  93   4.520  13.139  13.139
  701   2HZ   LYS  93           HZ1      LYS  93   5.064  13.431  13.431
  702   3HZ   LYS  93           HZ3      LYS  93   3.409  13.261  13.261
  703    H    VAL  94           HN       VAL  94  -0.262   8.445   8.445
  704    HA   VAL  94           HA       VAL  94  -1.098   9.420   9.420
  705    HB   VAL  94           HB       VAL  94  -2.678   8.217   8.217
  706   1HG1  VAL  94          HG22      VAL  94  -3.574   9.131   9.131
  707   2HG1  VAL  94          HG21      VAL  94  -4.559   9.577   9.577
  708   3HG1  VAL  94          HG23      VAL  94  -4.235   7.878   7.878
  709   1HG2  VAL  94          HG12      VAL  94  -1.875  10.961  10.961
  710   2HG2  VAL  94          HG11      VAL  94  -1.896  10.233  10.233
  711   3HG2  VAL  94          HG13      VAL  94  -3.405  10.741  10.741
  712    H    LEU  95           HN       LEU  95  -1.911   6.240   6.240
  713    HA   LEU  95           HA       LEU  95  -2.918   5.235   5.235
  714   1HB   LEU  95           HB1      LEU  95  -3.090   3.096   3.096
  715   2HB   LEU  95           HB2      LEU  95  -3.775   4.410   4.410
  716    HG   LEU  95           HG       LEU  95  -1.043   4.108   4.108
  717   1HD1  LEU  95          HD22      LEU  95  -1.479   1.787   1.787
  718   2HD1  LEU  95          HD21      LEU  95  -2.569   1.557   1.557
  719   3HD1  LEU  95          HD23      LEU  95  -0.858   1.878   1.878
  720   1HD2  LEU  95          HD12      LEU  95  -3.003   5.005   5.005
  721   2HD2  LEU  95          HD11      LEU  95  -1.955   3.890   3.890
  722   3HD2  LEU  95          HD13      LEU  95  -3.505   3.333   3.333
  723    H    VAL  96           HN       VAL  96   0.159   5.075   5.075
  724    HA   VAL  96           HA       VAL  96   1.270   3.031   3.031
  725    HB   VAL  96           HB       VAL  96   2.400   4.934   4.934
  726   1HG1  VAL  96          HG11      VAL  96   4.059   4.872   4.872
  727   2HG1  VAL  96          HG13      VAL  96   4.060   3.109   3.109
  728   3HG1  VAL  96          HG12      VAL  96   4.641   4.045   4.045
  729   1HG2  VAL  96          HG22      VAL  96   2.329   1.931   1.931
  730   2HG2  VAL  96          HG21      VAL  96   1.328   2.927   2.927
  731   3HG2  VAL  96          HG23      VAL  96   3.067   2.820   2.820
  732    H    GLU  97           HN       GLU  97   1.536   6.577   6.577
  733    HA   GLU  97           HA       GLU  97   3.393   6.840   6.840
  734   1HB   GLU  97           HB2      GLU  97   2.695   9.122   9.122
  735   2HB   GLU  97           HB1      GLU  97   2.606   8.674   8.674
  736   1HG   GLU  97           HG2      GLU  97   0.230   8.632   8.632
  737   2HG   GLU  97           HG1      GLU  97   0.695  10.042  10.042
  738    H    HIS  98           HN       HIS  98  -0.058   6.273   6.273
  739    HA   HIS  98           HA       HIS  98  -0.390   6.826   6.826
  740   1HB   HIS  98           HB1      HIS  98  -2.361   6.999   6.999
  741   2HB   HIS  98           HB2      HIS  98  -2.075   5.468   5.468
  742    HD2  HIS  98           HD2      HIS  98  -2.014   5.704   5.704
  743    HE1  HIS  98           HE1      HIS  98  -5.403   3.488   3.488
  744    HE2  HIS  98           HE2      HIS  98  -4.119   4.394   4.394
  745    H    GLY  99           HN       GLY  99  -0.174   3.827   3.827
  746   1HA   GLY  99           HA1      GLY  99   1.235   2.485   2.485
  747   2HA   GLY  99           HA2      GLY  99  -0.432   1.946   1.946
  748    H    ALA 100           HN       ALA 100  -1.118   1.353   1.353
  749    HA   ALA 100           HA       ALA 100  -0.872  -0.457  -0.457
  750   1HB   ALA 100           HB3      ALA 100  -0.223   1.907   1.907
  751   2HB   ALA 100           HB2      ALA 100   1.306   1.066   1.066
  752   3HB   ALA 100           HB1      ALA 100  -0.185   0.411   0.411
  753    H    ASP 101           HN       ASP 101   0.030  -2.042  -2.042
  754    HA   ASP 101           HA       ASP 101   2.566  -2.464  -2.464
  755   1HB   ASP 101           HB2      ASP 101   1.359  -4.860  -4.860
  756   2HB   ASP 101           HB1      ASP 101   0.343  -4.016  -4.016
  757    H    VAL 102           HN       VAL 102   4.224  -1.763  -1.763
  758    HA   VAL 102           HA       VAL 102   4.450  -2.622  -2.622
  759    HB   VAL 102           HB       VAL 102   6.648  -1.392  -1.392
  760   1HG1  VAL 102          HG13      VAL 102   4.114   0.061   0.061
  761   2HG1  VAL 102          HG12      VAL 102   5.576   0.857   0.857
  762   3HG1  VAL 102          HG11      VAL 102   4.721  -0.283  -0.283
  763   1HG2  VAL 102          HG21      VAL 102   6.084  -1.484  -1.484
  764   2HG2  VAL 102          HG23      VAL 102   7.526  -0.889  -0.889
  765   3HG2  VAL 102          HG22      VAL 102   6.171   0.199   0.199
  766    H    ASN 103           HN       ASN 103   4.765  -4.361  -4.361
  767    HA   ASN 103           HA       ASN 103   7.416  -5.469  -5.469
  768   1HB   ASN 103           HB2      ASN 103   5.451  -5.533  -5.533
  769   2HB   ASN 103           HB1      ASN 103   6.188  -7.102  -7.102
  770   1HD2  ASN 103          HD22      ASN 103   8.374  -4.031  -4.031
  771   2HD2  ASN 103          HD21      ASN 103   6.824  -3.759  -3.759
  772    H    ALA 104           HN       ALA 104   4.100  -6.141  -6.141
  773    HA   ALA 104           HA       ALA 104   4.078  -8.863  -8.863
  774   1HB   ALA 104           HB1      ALA 104   2.642  -6.586  -6.586
  775   2HB   ALA 104           HB3      ALA 104   2.480  -8.198  -8.198
  776   3HB   ALA 104           HB2      ALA 104   2.014  -7.911  -7.911
  777    H    LEU 105           HN       LEU 105   4.265 -10.132 -10.132
  778    HA   LEU 105           HA       LEU 105   5.966  -9.015  -9.015
  779   1HB   LEU 105           HB1      LEU 105   6.789 -11.696 -11.696
  780   2HB   LEU 105           HB2      LEU 105   7.761 -10.347 -10.347
  781    HG   LEU 105           HG       LEU 105   6.502 -10.181 -10.181
  782   1HD1  LEU 105          HD13      LEU 105   7.695 -12.461 -12.461
  783   2HD1  LEU 105          HD12      LEU 105   9.165 -11.492 -11.492
  784   3HD1  LEU 105          HD11      LEU 105   8.026 -11.546 -11.546
  785   1HD2  LEU 105          HD21      LEU 105   7.733  -8.281  -8.281
  786   2HD2  LEU 105          HD23      LEU 105   8.452  -8.863  -8.863
  787   3HD2  LEU 105          HD22      LEU 105   9.180  -9.287  -9.287
  788    H    ASP 106           HN       ASP 106   6.128 -10.454 -10.454
  789    HA   ASP 106           HA       ASP 106   3.578 -11.689 -11.689
  790   1HB   ASP 106           HB1      ASP 106   5.975 -11.159 -11.159
  791   2HB   ASP 106           HB2      ASP 106   4.460 -10.263 -10.263
  792    H    SER 107           HN       SER 107   6.535 -12.913 -12.913
  793    HA   SER 107           HA       SER 107   6.057 -15.500 -15.500
  794   1HB   SER 107           HB1      SER 107   7.316 -15.461 -15.461
  795   2HB   SER 107           HB2      SER 107   6.237 -16.655 -16.655
  796    HG   SER 107           HG       SER 107   5.626 -14.260 -14.260
  797    H    THR 108           HN       THR 108   8.421 -13.304 -13.304
  798    HA   THR 108           HA       THR 108  10.691 -14.873 -14.873
  799    HB   THR 108           HB       THR 108  11.187 -12.024 -12.024
  800    HG1  THR 108           HG1      THR 108   9.987 -11.714 -11.714
  801   1HG2  THR 108          HG23      THR 108  12.056 -14.535 -14.535
  802   2HG2  THR 108          HG22      THR 108  12.536 -12.920 -12.920
  803   3HG2  THR 108          HG21      THR 108  12.996 -13.504 -13.504
  804    H    GLY 109           HN       GLY 109   8.534 -13.201 -13.201
  805   1HA   GLY 109           HA2      GLY 109   8.543 -12.481 -12.481
  806   2HA   GLY 109           HA1      GLY 109  10.069 -13.337 -13.337
  807    H    SER 110           HN       SER 110   9.809 -10.863 -10.863
  808    HA   SER 110           HA       SER 110  11.719  -9.245  -9.245
  809   1HB   SER 110           HB2      SER 110  10.857  -8.543  -8.543
  810   2HB   SER 110           HB1      SER 110  12.443  -8.386  -8.386
  811    HG   SER 110           HG       SER 110  12.910 -10.215 -10.215
  812    H    LEU 111           HN       LEU 111  11.352  -7.173  -7.173
  813    HA   LEU 111           HA       LEU 111   8.666  -6.372  -6.372
  814   1HB   LEU 111           HB1      LEU 111  11.016  -4.518  -4.518
  815   2HB   LEU 111           HB2      LEU 111   9.542  -4.535  -4.535
  816    HG   LEU 111           HG       LEU 111  11.774  -6.565  -6.565
  817   1HD1  LEU 111          HD13      LEU 111  11.435  -4.017  -4.017
  818   2HD1  LEU 111          HD12      LEU 111  11.254  -5.255  -5.255
  819   3HD1  LEU 111          HD11      LEU 111  12.716  -5.202  -5.202
  820   1HD2  LEU 111          HD21      LEU 111   9.009  -6.573  -6.573
  821   2HD2  LEU 111          HD23      LEU 111  10.138  -7.907  -7.907
  822   3HD2  LEU 111          HD22      LEU 111  10.217  -6.931  -6.931
  823    HA   PRO 112           HA       PRO 112   7.403  -3.903  -3.903
  824   1HB   PRO 112           HB2      PRO 112   7.414  -1.526  -1.526
  825   2HB   PRO 112           HB1      PRO 112   6.134  -2.129  -2.129
  826   1HG   PRO 112           HG1      PRO 112   6.011  -2.515  -2.515
  827   2HG   PRO 112           HG2      PRO 112   5.488  -3.777  -3.777
  828   1HD   PRO 112           HD2      PRO 112   7.977  -3.603  -3.603
  829   2HD   PRO 112           HD1      PRO 112   7.030  -5.029  -5.029
  830    H    ILE 113           HN       ILE 113   9.924  -2.493  -2.493
  831    HA   ILE 113           HA       ILE 113  10.886  -0.584  -0.584
  832    HB   ILE 113           HB       ILE 113  11.620  -0.398  -0.398
  833   1HG1  ILE 113          HG11      ILE 113  14.208  -1.394  -1.394
  834   2HG1  ILE 113          HG12      ILE 113  13.377  -0.346  -0.346
  835   1HG2  ILE 113          HG21      ILE 113  11.622  -3.155  -3.155
  836   2HG2  ILE 113          HG23      ILE 113  13.326  -2.741  -2.741
  837   3HG2  ILE 113          HG22      ILE 113  12.138  -2.109  -2.109
  838   1HD1  ILE 113          HD13      ILE 113  13.148   1.330   1.330
  839   2HD1  ILE 113          HD12      ILE 113  14.206   0.303   0.303
  840   3HD1  ILE 113          HD11      ILE 113  14.801   1.015   1.015
  841    H    HIS 114           HN       HIS 114  11.804  -3.968  -3.968
  842    HA   HIS 114           HA       HIS 114  13.976  -4.137  -4.137
  843   1HB   HIS 114           HB1      HIS 114  11.877  -6.283  -6.283
  844   2HB   HIS 114           HB2      HIS 114  13.557  -6.516  -6.516
  845    HD2  HIS 114           HD2      HIS 114  14.810  -7.610  -7.610
  846    HE1  HIS 114           HE1      HIS 114  12.980  -5.298  -5.298
  847    HE2  HIS 114           HE2      HIS 114  14.813  -6.970  -6.970
  848    H    LEU 115           HN       LEU 115  10.528  -4.472  -4.472
  849    HA   LEU 115           HA       LEU 115  10.903  -5.049  -5.049
  850   1HB   LEU 115           HB1      LEU 115   8.431  -3.650  -3.650
  851   2HB   LEU 115           HB2      LEU 115   8.634  -5.104  -5.104
  852    HG   LEU 115           HG       LEU 115   8.705  -4.875  -4.875
  853   1HD1  LEU 115          HD11      LEU 115   6.831  -6.146  -6.146
  854   2HD1  LEU 115          HD13      LEU 115   6.845  -6.575  -6.575
  855   3HD1  LEU 115          HD12      LEU 115   6.475  -4.922  -4.922
  856   1HD2  LEU 115          HD22      LEU 115  10.275  -6.577  -6.577
  857   2HD2  LEU 115          HD21      LEU 115   9.692  -6.873  -6.873
  858   3HD2  LEU 115          HD23      LEU 115   8.824  -7.545  -7.545
  859    H    ALA 116           HN       ALA 116  10.088  -2.054  -2.054
  860    HA   ALA 116           HA       ALA 116   9.871  -0.345  -0.345
  861   1HB   ALA 116           HB2      ALA 116   9.583   0.032   0.032
  862   2HB   ALA 116           HB1      ALA 116  11.229   0.652   0.652
  863   3HB   ALA 116           HB3      ALA 116   9.929   1.378   1.378
  864    H    ILE 117           HN       ILE 117  12.747  -1.361  -1.361
  865    HA   ILE 117           HA       ILE 117  14.656   0.248   0.248
  866    HB   ILE 117           HB       ILE 117  14.882  -2.575  -2.575
  867   1HG1  ILE 117          HG12      ILE 117  16.050  -0.106  -0.106
  868   2HG1  ILE 117          HG11      ILE 117  14.350  -0.494  -0.494
  869   1HG2  ILE 117          HG22      ILE 117  16.961  -0.754  -0.754
  870   2HG2  ILE 117          HG21      ILE 117  17.381  -1.934  -1.934
  871   3HG2  ILE 117          HG23      ILE 117  16.698  -2.473  -2.473
  872   1HD1  ILE 117          HD12      ILE 117  16.160  -2.732  -2.732
  873   2HD1  ILE 117          HD11      ILE 117  16.393  -1.355  -1.355
  874   3HD1  ILE 117          HD13      ILE 117  14.810  -2.123  -2.123
  875    H    ARG 118           HN       ARG 118  13.263  -2.822  -2.822
  876    HA   ARG 118           HA       ARG 118  14.964  -3.254  -3.254
  877   1HB   ARG 118           HB1      ARG 118  12.072  -4.082  -4.082
  878   2HB   ARG 118           HB2      ARG 118  13.435  -4.907  -4.907
  879   1HG   ARG 118           HG2      ARG 118  13.767  -4.608  -4.608
  880   2HG   ARG 118           HG1      ARG 118  12.296  -5.488  -5.488
  881   1HD   ARG 118           HD1      ARG 118  14.557  -6.330  -6.330
  882   2HD   ARG 118           HD2      ARG 118  14.874  -6.513  -6.513
  883    HE   ARG 118           HE       ARG 118  13.030  -8.031  -8.031
  884   1HH1  ARG 118          HH11      ARG 118  13.784  -6.918  -6.918
  885   2HH1  ARG 118          HH12      ARG 118  12.937  -8.206  -8.206
  886   1HH2  ARG 118          HH21      ARG 118  11.911  -9.735  -9.735
  887   2HH2  ARG 118          HH22      ARG 118  11.872  -9.810  -9.810
  888    H    GLU 119           HN       GLU 119  11.906  -1.511  -1.511
  889    HA   GLU 119           HA       GLU 119  11.676  -0.885  -0.885
  890   1HB   GLU 119           HB2      GLU 119  10.396   0.641   0.641
  891   2HB   GLU 119           HB1      GLU 119   9.803   0.405   0.405
  892   1HG   GLU 119           HG2      GLU 119   8.565  -1.261  -1.261
  893   2HG   GLU 119           HG1      GLU 119  10.053  -2.161  -2.161
  894    H    GLY 120           HN       GLY 120  12.505   1.102   1.102
  895   1HA   GLY 120           HA2      GLY 120  14.225   2.701   2.701
  896   2HA   GLY 120           HA1      GLY 120  14.368   2.626   2.626
  897    H    HIS 121           HN       HIS 121  11.667   3.352   3.352
  898    HA   HIS 121           HA       HIS 121  10.815   5.518   5.518
  899   1HB   HIS 121           HB2      HIS 121   9.663   3.929   3.929
  900   2HB   HIS 121           HB1      HIS 121   9.366   5.643   5.643
  901    HD2  HIS 121           HD2      HIS 121   8.200   2.762   2.762
  902    HE1  HIS 121           HE1      HIS 121   6.260   6.302   6.302
  903    HE2  HIS 121           HE2      HIS 121   6.238   3.768   3.768
  904    H    SER 122           HN       SER 122  13.098   5.225   5.225
  905    HA   SER 122           HA       SER 122  14.400   6.757   6.757
  906   1HB   SER 122           HB2      SER 122  14.727   8.452   8.452
  907   2HB   SER 122           HB1      SER 122  13.088   8.310   8.310
  908    HG   SER 122           HG       SER 122  14.050  10.203  10.203
  909    H    SER 123           HN       SER 123  11.296   8.498   8.498
  910    HA   SER 123           HA       SER 123  11.373   9.231   9.231
  911   1HB   SER 123           HB2      SER 123   9.861   9.952   9.952
  912   2HB   SER 123           HB1      SER 123   8.690   9.194   9.194
  913    HG   SER 123           HG       SER 123  10.516  11.153  11.153
  914    H    VAL 124           HN       VAL 124   9.887   6.555   6.555
  915    HA   VAL 124           HA       VAL 124   8.345   5.626   5.626
  916    HB   VAL 124           HB       VAL 124   9.205   4.085   4.085
  917   1HG1  VAL 124          HG13      VAL 124   8.018   3.154   3.154
  918   2HG1  VAL 124          HG12      VAL 124   6.639   3.456   3.456
  919   3HG1  VAL 124          HG11      VAL 124   7.937   2.385   2.385
  920   1HG2  VAL 124          HG23      VAL 124   7.880   6.318   6.318
  921   2HG2  VAL 124          HG22      VAL 124   7.383   4.887   4.887
  922   3HG2  VAL 124          HG21      VAL 124   6.519   5.348   5.348
  923    H    VAL 125           HN       VAL 125  11.164   4.237   4.237
  924    HA   VAL 125           HA       VAL 125  11.765   2.246   2.246
  925    HB   VAL 125           HB       VAL 125  13.911   2.112   2.112
  926   1HG1  VAL 125          HG23      VAL 125  11.722   1.965   1.965
  927   2HG1  VAL 125          HG22      VAL 125  12.499   3.312   3.312
  928   3HG1  VAL 125          HG21      VAL 125  13.331   1.764   1.764
  929   1HG2  VAL 125          HG13      VAL 125  13.526   5.001   5.001
  930   2HG2  VAL 125          HG12      VAL 125  14.787   4.284   4.284
  931   3HG2  VAL 125          HG11      VAL 125  14.771   3.993   3.993
  932    H    SER 126           HN       SER 126  12.913   5.609   5.609
  933    HA   SER 126           HA       SER 126  14.540   5.313   5.313
  934   1HB   SER 126           HB2      SER 126  15.015   7.597   7.597
  935   2HB   SER 126           HB1      SER 126  14.694   7.099   7.099
  936    HG   SER 126           HG       SER 126  13.101   8.616   8.616
  937    H    PHE 127           HN       PHE 127  11.218   6.096   6.096
  938    HA   PHE 127           HA       PHE 127  10.710   7.211   7.211
  939   1HB   PHE 127           HB2      PHE 127   9.207   7.830   7.830
  940   2HB   PHE 127           HB1      PHE 127   8.910   6.151   6.151
  941    HD1  PHE 127           HD2      PHE 127   8.766   8.089   8.089
  942    HD2  PHE 127           HD1      PHE 127   6.760   5.508   5.508
  943    HE1  PHE 127           HE2      PHE 127   6.798   8.053   8.053
  944    HE2  PHE 127           HE1      PHE 127   4.786   5.468   5.468
  945    HZ   PHE 127           HZ       PHE 127   4.801   6.737   6.737
  946    H    LEU 128           HN       LEU 128  10.233   4.029   4.029
  947    HA   LEU 128           HA       LEU 128   9.012   2.834   2.834
  948   1HB   LEU 128           HB1      LEU 128   9.516   2.103   2.103
  949   2HB   LEU 128           HB2      LEU 128  10.536   1.014   1.014
  950    HG   LEU 128           HG       LEU 128   8.368   0.000   0.000
  951   1HD1  LEU 128          HD13      LEU 128   9.635  -0.357  -0.357
  952   2HD1  LEU 128          HD12      LEU 128   8.428   0.696   0.696
  953   3HD1  LEU 128          HD11      LEU 128   7.931  -0.813  -0.813
  954   1HD2  LEU 128          HD21      LEU 128   7.396   2.587   2.587
  955   2HD2  LEU 128          HD23      LEU 128   6.480   1.162   1.162
  956   3HD2  LEU 128          HD22      LEU 128   6.714   1.518   1.518
  957    H    ALA 129           HN       ALA 129  12.180   3.827   3.827
  958    HA   ALA 129           HA       ALA 129  13.727   1.854   1.854
  959   1HB   ALA 129           HB1      ALA 129  14.084   4.546   4.546
  960   2HB   ALA 129           HB3      ALA 129  14.782   4.365   4.365
  961   3HB   ALA 129           HB2      ALA 129  15.306   3.310   3.310
  962    HA   PRO 130           HA       PRO 130  13.258   4.007   4.007
  963   1HB   PRO 130           HB1      PRO 130  11.382   6.002   6.002
  964   2HB   PRO 130           HB2      PRO 130  13.100   6.281   6.281
  965   1HG   PRO 130           HG2      PRO 130  10.823   6.181   6.181
  966   2HG   PRO 130           HG1      PRO 130  12.209   7.287   7.287
  967   1HD   PRO 130           HD2      PRO 130  12.096   5.203   5.203
  968   2HD   PRO 130           HD1      PRO 130  13.626   5.756   5.756
  969    H    GLU 131           HN       GLU 131  10.053   4.595   4.595
  970    HA   GLU 131           HA       GLU 131   8.395   3.691   3.691
  971   1HB   GLU 131           HB1      GLU 131   8.004   2.758   2.758
  972   2HB   GLU 131           HB2      GLU 131   6.779   3.209   3.209
  973   1HG   GLU 131           HG2      GLU 131   6.873   5.359   5.359
  974   2HG   GLU 131           HG1      GLU 131   8.636   5.367   5.367
  975    H    SER 132           HN       SER 132  10.512   1.704   1.704
  976    HA   SER 132           HA       SER 132   9.390  -0.736  -0.736
  977   1HB   SER 132           HB2      SER 132  11.261  -0.219  -0.219
  978   2HB   SER 132           HB1      SER 132  11.094  -1.828  -1.828
  979    HG   SER 132           HG       SER 132   9.284  -2.035  -2.035
  980    H    ASP 133           HN       ASP 133  10.361  -1.805  -1.805
  981    HA   ASP 133           HA       ASP 133  12.199  -0.871  -0.871
  982   1HB   ASP 133           HB1      ASP 133  12.944  -3.418  -3.418
  983   2HB   ASP 133           HB2      ASP 133  11.546  -3.652  -3.652
  984    H    LEU 134           HN       LEU 134  13.881   0.304   0.304
  985    HA   LEU 134           HA       LEU 134  15.574  -0.479  -0.479
  986   1HB   LEU 134           HB1      LEU 134  15.525   1.588   1.588
  987   2HB   LEU 134           HB2      LEU 134  17.144   1.113   1.113
  988    HG   LEU 134           HG       LEU 134  15.011   2.397   2.397
  989   1HD1  LEU 134          HD11      LEU 134  17.469   3.195   3.195
  990   2HD1  LEU 134          HD13      LEU 134  17.587   3.386   3.386
  991   3HD1  LEU 134          HD12      LEU 134  16.283   4.174   4.174
  992   1HD2  LEU 134          HD22      LEU 134  17.196   0.586   0.586
  993   2HD2  LEU 134          HD21      LEU 134  15.574   0.811   0.811
  994   3HD2  LEU 134          HD23      LEU 134  16.825   2.013   2.013
  995    H    HIS 135           HN       HIS 135  17.711  -1.287  -1.287
  996    HA   HIS 135           HA       HIS 135  19.476  -2.554  -2.554
  997   1HB   HIS 135           HB1      HIS 135  19.096  -1.104  -1.104
  998   2HB   HIS 135           HB2      HIS 135  18.473  -2.614  -2.614
  999    HD2  HIS 135           HD2      HIS 135  21.812  -0.928  -0.928
 1000    HE1  HIS 135           HE1      HIS 135  22.626  -4.822  -4.822
 1001    HE2  HIS 135           HE2      HIS 135  23.612  -2.540  -2.540
 1002    H    HIS 136           HN       HIS 136  16.524  -3.458  -3.458
 1003    HA   HIS 136           HA       HIS 136  16.770  -6.133  -6.133
 1004   1HB   HIS 136           HB2      HIS 136  14.670  -4.751  -4.751
 1005   2HB   HIS 136           HB1      HIS 136  14.332  -4.975  -4.975
 1006    HD2  HIS 136           HD2      HIS 136  12.736  -7.058  -7.058
 1007    HE1  HIS 136           HE1      HIS 136  13.755  -9.305  -9.305
 1008    HE2  HIS 136           HE2      HIS 136  12.179  -9.128  -9.128
 1009    H    ARG 137           HN       ARG 137  15.850  -7.925  -7.925
 1010    HA   ARG 137           HA       ARG 137  16.639  -7.539  -7.539
 1011   1HB   ARG 137           HB1      ARG 137  17.046 -10.226 -10.226
 1012   2HB   ARG 137           HB2      ARG 137  18.021  -9.345  -9.345
 1013   1HG   ARG 137           HG1      ARG 137  18.856  -7.926  -7.926
 1014   2HG   ARG 137           HG2      ARG 137  17.996  -8.987  -8.987
 1015   1HD   ARG 137           HD1      ARG 137  20.135  -9.862  -9.862
 1016   2HD   ARG 137           HD2      ARG 137  20.380  -9.572  -9.572
 1017    HE   ARG 137           HE       ARG 137  19.142 -11.871 -11.871
 1018   1HH1  ARG 137          HH21      ARG 137  19.467  -9.969  -9.969
 1019   2HH1  ARG 137          HH22      ARG 137  19.020 -11.267 -11.267
 1020   1HH2  ARG 137          HH11      ARG 137  18.553 -13.586 -13.586
 1021   2HH2  ARG 137          HH12      ARG 137  18.502 -13.324 -13.324
 1022    H    ASP 138           HN       ASP 138  16.053 -10.203 -10.203
 1023    HA   ASP 138           HA       ASP 138  13.196 -10.490 -10.490
 1024   1HB   ASP 138           HB2      ASP 138  13.104  -9.263  -9.263
 1025   2HB   ASP 138           HB1      ASP 138  12.859 -10.941 -10.941
 1026    H    ALA 139           HN       ALA 139  12.538 -12.554 -12.554
 1027    HA   ALA 139           HA       ALA 139  13.700 -14.769 -14.769
 1028   1HB   ALA 139           HB3      ALA 139  11.811 -14.490 -14.490
 1029   2HB   ALA 139           HB2      ALA 139  12.416 -16.070 -16.070
 1030   3HB   ALA 139           HB1      ALA 139  11.494 -15.081 -15.081
 1031    H    SER 140           HN       SER 140  14.838 -12.921 -12.921
 1032    HA   SER 140           HA       SER 140  16.337 -15.120 -15.120
 1033   1HB   SER 140           HB1      SER 140  17.114 -13.028 -13.028
 1034   2HB   SER 140           HB2      SER 140  15.593 -13.865 -13.865
 1035    HG   SER 140           HG       SER 140  15.488 -11.507 -11.507
 1036    H    GLY 141           HN       GLY 141  16.802 -12.080 -12.080
 1037   1HA   GLY 141           HA2      GLY 141  18.582 -11.868 -11.868
 1038   2HA   GLY 141           HA1      GLY 141  19.544 -12.959 -12.959
 1039    H    LEU 142           HN       LEU 142  17.949  -9.777  -9.777
 1040    HA   LEU 142           HA       LEU 142  20.397  -8.582  -8.582
 1041   1HB   LEU 142           HB2      LEU 142  17.969  -8.750  -8.750
 1042   2HB   LEU 142           HB1      LEU 142  19.300  -7.641  -7.641
 1043    HG   LEU 142           HG       LEU 142  19.523 -10.654 -10.654
 1044   1HD1  LEU 142          HD11      LEU 142  19.451  -8.665  -8.665
 1045   2HD1  LEU 142          HD13      LEU 142  19.927 -10.355 -10.355
 1046   3HD1  LEU 142          HD12      LEU 142  18.287  -9.947  -9.947
 1047   1HD2  LEU 142          HD22      LEU 142  21.482  -8.677  -8.677
 1048   2HD2  LEU 142          HD21      LEU 142  21.724 -10.399 -10.399
 1049   3HD2  LEU 142          HD23      LEU 142  21.677  -9.264  -9.264
 1050    H    THR 143           HN       THR 143  20.538  -6.512  -6.512
 1051    HA   THR 143           HA       THR 143  18.203  -5.319  -5.319
 1052    HB   THR 143           HB       THR 143  19.824  -3.757  -3.757
 1053    HG1  THR 143           HG1      THR 143  21.388  -4.666  -4.666
 1054   1HG2  THR 143          HG22      THR 143  20.104  -6.667  -6.667
 1055   2HG2  THR 143          HG21      THR 143  21.414  -5.680  -5.680
 1056   3HG2  THR 143          HG23      THR 143  19.759  -5.416  -5.416
 1057    HA   PRO 144           HA       PRO 144  17.103  -2.123  -2.123
 1058   1HB   PRO 144           HB2      PRO 144  18.190   0.054   0.054
 1059   2HB   PRO 144           HB1      PRO 144  16.500  -0.403  -0.403
 1060   1HG   PRO 144           HG2      PRO 144  18.326  -1.002  -1.002
 1061   2HG   PRO 144           HG1      PRO 144  16.555  -1.027  -1.027
 1062   1HD   PRO 144           HD2      PRO 144  18.032  -3.284  -3.284
 1063   2HD   PRO 144           HD1      PRO 144  16.475  -3.224  -3.224
 1064    H    LEU 145           HN       LEU 145  20.250  -1.463  -1.463
 1065    HA   LEU 145           HA       LEU 145  21.323  -0.076  -0.076
 1066   1HB   LEU 145           HB1      LEU 145  22.213  -0.926  -0.926
 1067   2HB   LEU 145           HB2      LEU 145  23.471  -1.164  -1.164
 1068    HG   LEU 145           HG       LEU 145  22.091   1.424   1.424
 1069   1HD1  LEU 145          HD12      LEU 145  24.040   0.372   0.372
 1070   2HD1  LEU 145          HD11      LEU 145  25.034   0.942   0.942
 1071   3HD1  LEU 145          HD13      LEU 145  24.069   2.087   2.087
 1072   1HD2  LEU 145          HD23      LEU 145  23.162   0.643   0.643
 1073   2HD2  LEU 145          HD22      LEU 145  22.590   2.235   2.235
 1074   3HD2  LEU 145          HD21      LEU 145  24.282   1.795   1.795
 1075    H    GLU 146           HN       GLU 146  21.492  -3.442  -3.442
 1076    HA   GLU 146           HA       GLU 146  23.405  -4.412  -4.412
 1077   1HB   GLU 146           HB2      GLU 146  20.987  -5.632  -5.632
 1078   2HB   GLU 146           HB1      GLU 146  21.903  -6.561  -6.561
 1079   1HG   GLU 146           HG2      GLU 146  22.881  -7.223  -7.223
 1080   2HG   GLU 146           HG1      GLU 146  23.944  -5.905  -5.905
 1081    H    LEU 147           HN       LEU 147  19.898  -4.808  -4.808
 1082    HA   LEU 147           HA       LEU 147  20.047  -5.515  -5.515
 1083   1HB   LEU 147           HB2      LEU 147  18.028  -5.318  -5.318
 1084   2HB   LEU 147           HB1      LEU 147  17.781  -3.795  -3.795
 1085    HG   LEU 147           HG       LEU 147  17.682  -5.073  -5.073
 1086   1HD1  LEU 147          HD21      LEU 147  17.810  -7.396  -7.396
 1087   2HD1  LEU 147          HD23      LEU 147  17.143  -7.526  -7.526
 1088   3HD1  LEU 147          HD22      LEU 147  18.831  -7.072  -7.072
 1089   1HD2  LEU 147          HD13      LEU 147  15.720  -4.443  -4.443
 1090   2HD2  LEU 147          HD12      LEU 147  15.434  -5.400  -5.400
 1091   3HD2  LEU 147          HD11      LEU 147  15.573  -6.197  -6.197
 1092    H    ALA 148           HN       ALA 148  20.289  -2.389  -2.389
 1093    HA   ALA 148           HA       ALA 148  19.902  -0.859  -0.859
 1094   1HB   ALA 148           HB2      ALA 148  20.689  -0.309  -0.309
 1095   2HB   ALA 148           HB1      ALA 148  21.251   0.840   0.840
 1096   3HB   ALA 148           HB3      ALA 148  19.526   0.517   0.517
 1097    H    ARG 149           HN       ARG 149  22.437  -2.749  -2.749
 1098    HA   ARG 149           HA       ARG 149  24.636  -1.307  -1.307
 1099   1HB   ARG 149           HB1      ARG 149  24.817  -2.963  -2.963
 1100   2HB   ARG 149           HB2      ARG 149  24.506  -4.242  -4.242
 1101   1HG   ARG 149           HG1      ARG 149  26.551  -3.955  -3.955
 1102   2HG   ARG 149           HG2      ARG 149  26.760  -2.321  -2.321
 1103   1HD   ARG 149           HD2      ARG 149  26.553  -3.996  -3.996
 1104   2HD   ARG 149           HD1      ARG 149  27.614  -4.833  -4.833
 1105    HE   ARG 149           HE       ARG 149  28.625  -2.345  -2.345
 1106   1HH1  ARG 149          HH11      ARG 149  27.741  -4.511  -4.511
 1107   2HH1  ARG 149          HH12      ARG 149  28.937  -3.903  -3.903
 1108   1HH2  ARG 149          HH21      ARG 149  30.205  -1.535  -1.535
 1109   2HH2  ARG 149          HH22      ARG 149  30.335  -2.210  -2.210
 1110    H    GLN 150           HN       GLN 150  22.790  -4.166  -4.166
 1111    HA   GLN 150           HA       GLN 150  24.146  -4.475  -4.475
 1112   1HB   GLN 150           HB1      GLN 150  21.885  -5.823  -5.823
 1113   2HB   GLN 150           HB2      GLN 150  23.200  -6.480  -6.480
 1114   1HG   GLN 150           HG1      GLN 150  22.039  -6.335  -6.335
 1115   2HG   GLN 150           HG2      GLN 150  21.189  -4.877  -4.877
 1116   1HE2  GLN 150          HE21      GLN 150  21.444  -8.199  -8.199
 1117   2HE2  GLN 150          HE22      GLN 150  19.742  -8.466  -8.466
 1118    H    ARG 151           HN       ARG 151  20.663  -4.238  -4.238
 1119    HA   ARG 151           HA       ARG 151  20.668  -2.524  -2.524
 1120   1HB   ARG 151           HB2      ARG 151  18.419  -3.558  -3.558
 1121   2HB   ARG 151           HB1      ARG 151  18.183  -2.613  -2.613
 1122   1HG   ARG 151           HG1      ARG 151  18.487  -4.383  -4.383
 1123   2HG   ARG 151           HG2      ARG 151  19.904  -4.920  -4.920
 1124   1HD   ARG 151           HD2      ARG 151  18.435  -5.892  -5.892
 1125   2HD   ARG 151           HD1      ARG 151  17.026  -5.371  -5.371
 1126    HE   ARG 151           HE       ARG 151  18.576  -6.909  -6.909
 1127   1HH1  ARG 151          HH21      ARG 151  16.844  -7.327  -7.327
 1128   2HH1  ARG 151          HH22      ARG 151  16.496  -8.999  -8.999
 1129   1HH2  ARG 151          HH11      ARG 151  18.120  -9.110  -9.110
 1130   2HH2  ARG 151          HH12      ARG 151  17.221 -10.012 -10.012
 1131    H    GLY 152           HN       GLY 152  22.028  -1.104  -1.104
 1132   1HA   GLY 152           HA2      GLY 152  20.349   0.578   0.578
 1133   2HA   GLY 152           HA1      GLY 152  22.054   0.826   0.826
 1134    H    ALA 153           HN       ALA 153  19.325   0.630   0.630
 1135    HA   ALA 153           HA       ALA 153  19.986   2.428   2.428
 1136   1HB   ALA 153           HB2      ALA 153  17.739   1.175   1.175
 1137   2HB   ALA 153           HB1      ALA 153  17.237   2.682   2.682
 1138   3HB   ALA 153           HB3      ALA 153  17.744   2.678   2.678
 1139    H    GLN 154           HN       GLN 154  19.787   4.722   4.722
 1140    HA   GLN 154           HA       GLN 154  20.388   6.832   6.832
 1141   1HB   GLN 154           HB2      GLN 154  18.486   7.451   7.451
 1142   2HB   GLN 154           HB1      GLN 154  18.265   7.574   7.574
 1143   1HG   GLN 154           HG2      GLN 154  16.415   6.388   6.388
 1144   2HG   GLN 154           HG1      GLN 154  17.530   5.091   5.091
 1145   1HE2  GLN 154          HE22      GLN 154  17.833   5.220   5.220
 1146   2HE2  GLN 154          HE21      GLN 154  18.666   6.263   6.263
 1147    H    ASN 155           HN       ASN 155  20.028   8.054   8.054
 1148    HA   ASN 155           HA       ASN 155  22.324   6.987   6.987
 1149   1HB   ASN 155           HB2      ASN 155  20.968   9.448   9.448
 1150   2HB   ASN 155           HB1      ASN 155  20.849   8.875   8.875
 1151   1HD2  ASN 155          HD22      ASN 155  24.034  10.811  10.811
 1152   2HD2  ASN 155          HD21      ASN 155  22.406  11.059  11.059
 1153    H    LEU 156           HN       LEU 156  20.389   4.960   4.960
 1154    HA   LEU 156           HA       LEU 156  18.734   4.804   4.804
 1155   1HB   LEU 156           HB2      LEU 156  19.714   3.005   3.005
 1156   2HB   LEU 156           HB1      LEU 156  19.617   2.201   2.201
 1157    HG   LEU 156           HG       LEU 156  17.404   3.428   3.428
 1158   1HD1  LEU 156          HD12      LEU 156  18.280   0.756   0.756
 1159   2HD1  LEU 156          HD11      LEU 156  16.564   1.049   1.049
 1160   3HD1  LEU 156          HD13      LEU 156  17.238   1.268   1.268
 1161   1HD2  LEU 156          HD23      LEU 156  17.641   3.239   3.239
 1162   2HD2  LEU 156          HD22      LEU 156  16.616   4.274   4.274
 1163   3HD2  LEU 156          HD21      LEU 156  16.144   2.602   2.602
 1164    H    MET 157           HN       MET 157  21.972   3.395   3.395
 1165    HA   MET 157           HA       MET 157  22.347   2.347   2.347
 1166   1HB   MET 157           HB1      MET 157  24.095   3.333   3.333
 1167   2HB   MET 157           HB2      MET 157  24.844   3.147   3.147
 1168   1HG   MET 157           HG1      MET 157  23.399   0.813   0.813
 1169   2HG   MET 157           HG2      MET 157  24.101   1.153   1.153
 1170   1HE   MET 157           HE1      MET 157  25.065   1.240   1.240
 1171   2HE   MET 157           HE3      MET 157  24.626  -0.409  -0.409
 1172   3HE   MET 157           HE2      MET 157  26.290  -0.029  -0.029
 1173    H    ASP 158           HN       ASP 158  22.976   5.645   5.645
 1174    HA   ASP 158           HA       ASP 158  23.949   6.536   6.536
 1175   1HB   ASP 158           HB1      ASP 158  22.920   8.294   8.294
 1176   2HB   ASP 158           HB2      ASP 158  24.516   7.549   7.549
 1177    H    ILE 159           HN       ILE 159  20.842   6.554   6.554
 1178    HA   ILE 159           HA       ILE 159  19.445   8.364   8.364
 1179    HB   ILE 159           HB       ILE 159  18.669   5.854   5.854
 1180   1HG1  ILE 159          HG12      ILE 159  17.496   8.575   8.575
 1181   2HG1  ILE 159          HG11      ILE 159  19.121   8.236   8.236
 1182   1HG2  ILE 159          HG21      ILE 159  17.248   5.922   5.922
 1183   2HG2  ILE 159          HG23      ILE 159  16.751   7.559   7.559
 1184   3HG2  ILE 159          HG22      ILE 159  16.332   6.214   6.214
 1185   1HD1  ILE 159          HD11      ILE 159  16.827   6.445   6.445
 1186   2HD1  ILE 159          HD13      ILE 159  17.149   7.920   7.920
 1187   3HD1  ILE 159          HD12      ILE 159  18.367   6.649   6.649
 1188    H    LEU 160           HN       LEU 160  19.833   4.879   4.879
 1189    HA   LEU 160           HA       LEU 160  18.526   4.918   4.918
 1190   1HB   LEU 160           HB2      LEU 160  20.288   2.648   2.648
 1191   2HB   LEU 160           HB1      LEU 160  18.584   2.678   2.678
 1192    HG   LEU 160           HG       LEU 160  19.825   2.971   2.971
 1193   1HD1  LEU 160          HD13      LEU 160  17.913   1.019   1.019
 1194   2HD1  LEU 160          HD12      LEU 160  18.193   1.120   1.120
 1195   3HD1  LEU 160          HD11      LEU 160  19.520   0.702   0.702
 1196   1HD2  LEU 160          HD23      LEU 160  17.332   4.094   4.094
 1197   2HD2  LEU 160          HD22      LEU 160  18.222   4.423   4.423
 1198   3HD2  LEU 160          HD21      LEU 160  17.122   3.043   3.043
 1199    H    GLN 161           HN       GLN 161  21.761   5.390   5.390
 1200    HA   GLN 161           HA       GLN 161  23.151   4.719   4.719
 1201   1HB   GLN 161           HB1      GLN 161  23.748   5.854   5.854
 1202   2HB   GLN 161           HB2      GLN 161  24.488   6.857   6.857
 1203   1HG   GLN 161           HG1      GLN 161  24.829   3.875   3.875
 1204   2HG   GLN 161           HG2      GLN 161  25.936   5.036   5.036
 1205   1HE2  GLN 161          HE22      GLN 161  25.896   4.434   4.434
 1206   2HE2  GLN 161          HE21      GLN 161  24.603   3.876   3.876
 1207    H    GLY 162           HN       GLY 162  21.705   7.753   7.753
 1208   1HA   GLY 162           HA2      GLY 162  22.648   9.295   9.295
 1209   2HA   GLY 162           HA1      GLY 162  21.397   9.770   9.770
 1210    H    HIS 163           HN       HIS 163  19.415   8.029   8.029
 1211    HA   HIS 163           HA       HIS 163  18.172   8.853   8.853
 1212   1HB   HIS 163           HB1      HIS 163  17.391   6.403   6.403
 1213   2HB   HIS 163           HB2      HIS 163  16.349   7.457   7.457
 1214    HD2  HIS 163           HD2      HIS 163  16.467   6.773   6.773
 1215    HE1  HIS 163           HE1      HIS 163  16.549  11.004  11.004
 1216    HE2  HIS 163           HE2      HIS 163  16.303   8.941   8.941
 1217    H    MET 164           HN       MET 164  19.853   5.864   5.864
 1218    HA   MET 164           HA       MET 164  19.223   4.477   4.477
 1219   1HB   MET 164           HB2      MET 164  19.956   3.314   3.314
 1220   2HB   MET 164           HB1      MET 164  21.528   4.093   4.093
 1221   1HG   MET 164           HG1      MET 164  22.279   2.501   2.501
 1222   2HG   MET 164           HG2      MET 164  20.956   2.773   2.773
 1223   1HE   MET 164           HE1      MET 164  21.335   1.682   1.682
 1224   2HE   MET 164           HE3      MET 164  20.523   0.120   0.120
 1225   3HE   MET 164           HE2      MET 164  19.573   1.602   1.602
 1226    H    MET 165           HN       MET 165  19.635   6.287   6.287
 1227    HA   MET 165           HA       MET 165  22.454   6.827   6.827
 1228   1HB   MET 165           HB2      MET 165  20.034   7.972   7.972
 1229   2HB   MET 165           HB1      MET 165  21.684   8.574   8.574
 1230   1HG   MET 165           HG2      MET 165  21.456   8.915   8.915
 1231   2HG   MET 165           HG1      MET 165  19.726   8.717   8.717
 1232   1HE   MET 165           HE2      MET 165  18.766   9.692   9.692
 1233   2HE   MET 165           HE1      MET 165  19.646  10.833  10.833
 1234   3HE   MET 165           HE3      MET 165  18.491  11.425  11.425
 1235    H    ILE 166           HN       ILE 166  23.467   5.392   5.392
 1236    HA   ILE 166           HA       ILE 166  22.014   4.277   4.277
 1237    HB   ILE 166           HB       ILE 166  23.972   2.477   2.477
 1238   1HG1  ILE 166          HG12      ILE 166  23.404   3.505   3.505
 1239   2HG1  ILE 166          HG11      ILE 166  24.964   3.466   3.466
 1240   1HG2  ILE 166          HG22      ILE 166  21.398   2.283   2.283
 1241   2HG2  ILE 166          HG21      ILE 166  21.559   2.215   2.215
 1242   3HG2  ILE 166          HG23      ILE 166  22.345   0.998   0.998
 1243   1HD1  ILE 166          HD13      ILE 166  23.628   0.868   0.868
 1244   2HD1  ILE 166          HD12      ILE 166  24.129   1.623   1.623
 1245   3HD1  ILE 166          HD11      ILE 166  25.316   1.314   1.314
 1246    HA   PRO 167           HA       PRO 167  25.324   7.047   7.047
 1247   1HB   PRO 167           HB1      PRO 167  23.526   6.537   6.537
 1248   2HB   PRO 167           HB2      PRO 167  24.274   8.047   8.047
 1249   1HG   PRO 167           HG2      PRO 167  21.691   7.574   7.574
 1250   2HG   PRO 167           HG1      PRO 167  22.690   8.400   8.400
 1251   1HD   PRO 167           HD2      PRO 167  21.673   5.597   5.597
 1252   2HD   PRO 167           HD1      PRO 167  21.939   6.689   6.689
 1253    H    MET 168           HN       MET 168  23.804   4.701   4.701
 1254    HA   MET 168           HA       MET 168  26.399   3.351   3.351
 1255   1HB   MET 168           HB2      MET 168  24.870   3.257   3.257
 1256   2HB   MET 168           HB1      MET 168  26.527   3.780   3.780
 1257   1HG   MET 168           HG1      MET 168  25.509   5.972   5.972
 1258   2HG   MET 168           HG2      MET 168  24.016   5.407   5.407
 1259   1HE   MET 168           HE2      MET 168  23.535   5.060   5.060
 1260   2HE   MET 168           HE1      MET 168  24.843   4.205   4.205
 1261   3HE   MET 168           HE3      MET 168  24.338   5.795   5.795